From ba6785a865cfbbf98d74116f944ee3b5644a92aa Mon Sep 17 00:00:00 2001 From: Rafael Ravedutti Date: Sat, 5 Mar 2022 03:21:52 +0100 Subject: [PATCH] Allow parameter reading from files and update data Signed-off-by: Rafael Ravedutti --- config.mk | 2 +- data/anneal.mdp | 233 ---- data/argon.top | 22 - data/argon_1000/argon_1ns.gro | 1003 +++++++++++++++++ data/argon_1000/conf.gro | 1003 +++++++++++++++++ data/{md.mdp => argon_1000/grompp.mdp} | 71 +- data/argon_1000/mdbench_params.conf | 10 + data/argon_1000/tprout.gro | 1003 +++++++++++++++++ data/argon_start.pdb | 106 -- data/{ => copper_melting}/Cu_u3.eam | 0 data/{ => copper_melting}/Cu_u6.eam | 0 .../input_eam_cu_one_atomtype_20x20x20.dmp | 0 .../input_lj_cu_one_atomtype_20x20x20.dmp | 0 .../input_lj_cu_two_atomtypes_20x20x20.dmp | 0 data/heatup.mdp | 233 ---- gromacs/atom.c | 10 - gromacs/includes/atom.h | 2 + gromacs/includes/parameter.h | 7 + gromacs/includes/util.h | 8 + gromacs/main.c | 51 +- gromacs/parameter.c | 156 +++ gromacs/thermo.c | 2 - 22 files changed, 3246 insertions(+), 676 deletions(-) delete mode 100644 data/anneal.mdp delete mode 100644 data/argon.top create mode 100644 data/argon_1000/argon_1ns.gro create mode 100644 data/argon_1000/conf.gro rename data/{md.mdp => argon_1000/grompp.mdp} (82%) create mode 100644 data/argon_1000/mdbench_params.conf create mode 100644 data/argon_1000/tprout.gro delete mode 100644 data/argon_start.pdb rename data/{ => copper_melting}/Cu_u3.eam (100%) rename data/{ => copper_melting}/Cu_u6.eam (100%) rename data/{ => copper_melting}/input_eam_cu_one_atomtype_20x20x20.dmp (100%) rename data/{ => copper_melting}/input_lj_cu_one_atomtype_20x20x20.dmp (100%) rename data/{ => copper_melting}/input_lj_cu_two_atomtypes_20x20x20.dmp (100%) delete mode 100644 data/heatup.mdp create mode 100644 gromacs/parameter.c diff --git a/config.mk b/config.mk index ad520f9..3e8bb88 100644 --- a/config.mk +++ b/config.mk @@ -11,7 +11,7 @@ DATA_LAYOUT ?= AOS # Assembly syntax to generate (ATT/INTEL) ASM_SYNTAX ?= ATT # Debug -DEBUG ?= true +DEBUG ?= false # Number of times to run the atoms loop on stubbed variant ATOMS_LOOP_RUNS ?= 1 diff --git a/data/anneal.mdp b/data/anneal.mdp deleted file mode 100644 index 782f9d0..0000000 --- a/data/anneal.mdp +++ /dev/null @@ -1,233 +0,0 @@ -; -; File 'mdout.mdp' was generated -; By user: bert (1001) -; On host: bertp3 -; At date: Sat Dec 4 13:41:42 2004 -; - -; VARIOUS PREPROCESSING OPTIONS -include = -define = - -; RUN CONTROL PARAMETERS -integrator = md -; Start time and timestep in ps -tinit = 0 -dt = 0.002 -nsteps = 500000 -; For exact run continuation or redoing part of a run -init_step = 0 -; mode for center of mass motion removal -comm-mode = Angular -; number of steps for center of mass motion removal -nstcomm = 1 -; group(s) for center of mass motion removal -comm-grps = - -; LANGEVIN DYNAMICS OPTIONS -; Temperature, friction coefficient (amu/ps) and random seed -bd-fric = 0 -ld-seed = 1993 - -; ENERGY MINIMIZATION OPTIONS -; Force tolerance and initial step-size -emtol = 10 -emstep = 0.01 -; Max number of iterations in relax_shells -niter = 20 -; Step size (1/ps^2) for minimization of flexible constraints -fcstep = 0 -; Frequency of steepest descents steps when doing CG -nstcgsteep = 1000 -nbfgscorr = 10 - -; OUTPUT CONTROL OPTIONS -; Output frequency for coords (x), velocities (v) and forces (f) -nstxout = 5000 -nstvout = 5000 -nstfout = 0 -; Checkpointing helps you continue after crashes -nstcheckpoint = 1000 -; Output frequency for energies to log file and energy file -nstlog = 500 -nstenergy = 500 -; Output frequency and precision for xtc file -nstxtcout = 500 -xtc-precision = 1000 -; This selects the subset of atoms for the xtc file. You can -; select multiple groups. By default all atoms will be written. -xtc-grps = -; Selection of energy groups -energygrps = System - -; long-range cut-off for switched potentials -rlistlong = -1 -cutoff-scheme = Verlet - -; NEIGHBORSEARCHING PARAMETERS -; nblist update frequency -nstlist = 50 -; ns algorithm (simple or grid) -ns_type = grid -; Periodic boundary conditions: xyz (default), no (vacuum) -; or full (infinite systems only) -pbc = xyz -; nblist cut-off -rlist = 0.85 - - -; OPTIONS FOR ELECTROSTATICS AND VDW -; Method for doing electrostatics -coulombtype = Cut-off -rcoulomb-switch = 0 -rcoulomb = 0.85 -; Dielectric constant (DC) for cut-off or DC of reaction field -epsilon-r = 1 -; Method for doing Van der Waals -vdw-type = Cut-off -; cut-off lengths -rvdw-switch = 0 -rvdw = 0.85 -; Apply long range dispersion corrections for Energy and Pressure -DispCorr = Enerpres -; Extension of the potential lookup tables beyond the cut-off -table-extension = 1 -; Spacing for the PME/PPPM FFT grid -fourierspacing = 0.12 -; FFT grid size, when a value is 0 fourierspacing will be used -fourier_nx = 0 -fourier_ny = 0 -fourier_nz = 0 -; EWALD/PME/PPPM parameters -pme_order = 4 -ewald_rtol = 1e-05 -ewald_geometry = 3d -epsilon_surface = 0 -optimize_fft = no - -; GENERALIZED BORN ELECTROSTATICS -; Algorithm for calculating Born radii -gb_algorithm = Still -; Frequency of calculating the Born radii inside rlist -nstgbradii = 1 -; Cutoff for Born radii calculation; the contribution from atoms -; between rlist and rgbradii is updated every nstlist steps -rgbradii = 2 -; Salt concentration in M for Generalized Born models -gb_saltconc = 0 - -; IMPLICIT SOLVENT (for use with Generalized Born electrostatics) -implicit_solvent = No - -; OPTIONS FOR WEAK COUPLING ALGORITHMS -; Temperature coupling -Tcoupl = v-rescale -; Groups to couple separately -tc-grps = System -; Time constant (ps) and reference temperature (K) -tau_t = 0.1 -ref_t = 100 -; Pressure coupling -Pcoupl = no -Pcoupltype = isotropic -; Time constant (ps), compressibility (1/bar) and reference P (bar) -tau_p = 0.5 -compressibility = 4.5e-5 -ref_p = 1.0 - -; SIMULATED ANNEALING -; Type of annealing for each temperature group (no/single/periodic) -annealing = single -; Number of time points to use for specifying annealing in each group -annealing_npoints = 2 -; List of times at the annealing points for each group -annealing_time = 0 1000 -; Temp. at each annealing point, for each group. -annealing_temp = 100 25 - -; GENERATE VELOCITIES FOR STARTUP RUN -gen_vel = yes -gen_temp = 100.0 -gen_seed = 173529 - -; OPTIONS FOR BONDS -constraints = all-bonds -; Type of constraint algorithm -constraint-algorithm = Lincs -; Do not constrain the start configuration -unconstrained-start = no -; Use successive overrelaxation to reduce the number of shake iterations -Shake-SOR = no -; Relative tolerance of shake -shake-tol = 1e-04 -; Highest order in the expansion of the constraint coupling matrix -lincs-order = 4 -; Number of iterations in the final step of LINCS. 1 is fine for -; normal simulations, but use 2 to conserve energy in NVE runs. -; For energy minimization with constraints it should be 4 to 8. -lincs-iter = 1 -; Lincs will write a warning to the stderr if in one step a bond -; rotates over more degrees than -lincs-warnangle = 30 -; Convert harmonic bonds to morse potentials -morse = no - -; ENERGY GROUP EXCLUSIONS -; Pairs of energy groups for which all non-bonded interactions are excluded -energygrp_excl = - -; NMR refinement stuff -; Distance restraints type: No, Simple or Ensemble -disre = No -; Force weighting of pairs in one distance restraint: Conservative or Equal -disre-weighting = Conservative -; Use sqrt of the time averaged times the instantaneous violation -disre-mixed = no -disre-fc = 1000 -disre-tau = 0 -; Output frequency for pair distances to energy file -nstdisreout = 100 -; Orientation restraints: No or Yes -orire = no -; Orientation restraints force constant and tau for time averaging -orire-fc = 0 -orire-tau = 0 -orire-fitgrp = -; Output frequency for trace(SD) to energy file -nstorireout = 100 - -; Free energy control stuff -free-energy = no -init-lambda = 0 -delta-lambda = 0 -sc-alpha = 0 -sc-sigma = 0.3 - -; Non-equilibrium MD stuff -acc-grps = -accelerate = -freezegrps = -freezedim = -cos-acceleration = 0 - -; Electric fields -; Format is number of terms (int) and for all terms an amplitude (real) -; and a phase angle (real) -E-x = -E-xt = -E-y = -E-yt = -E-z = -E-zt = - -; User defined thingies -user1-grps = -user2-grps = -userint1 = 0 -userint2 = 0 -userint3 = 0 -userint4 = 0 -userreal1 = 0 -userreal2 = 0 -userreal3 = 0 -userreal4 = 0 diff --git a/data/argon.top b/data/argon.top deleted file mode 100644 index 2977bb1..0000000 --- a/data/argon.top +++ /dev/null @@ -1,22 +0,0 @@ -[ defaults ] -; nbfunc comb-rule gen-pairs fudgeLJ fudgeQQ - 1 1 no 1.0 1.0 - -[ atomtypes ] -AR 39.948 0.0 A 0.00622127 9.69576e-06 - -[ moleculetype ] -; molname nrexcl -Ar 1 - -[ atoms ] -; id at type res nr residu name at name cg nr charge -1 AR 1 Ar Ar 1 0 - -[ system ] -; Name -Argon - -[ molecules ] -; Compound #mols -AR 100 diff --git a/data/argon_1000/argon_1ns.gro b/data/argon_1000/argon_1ns.gro new file mode 100644 index 0000000..2140cd5 --- /dev/null +++ b/data/argon_1000/argon_1ns.gro @@ -0,0 +1,1003 @@ +Liquid Argon + 1000 + 1Ar Ar 1 3.161 1.507 3.589 0.0242 -0.2053 0.0663 + 2Ar Ar 2 2.972 2.939 3.571 0.1221 0.0089 -0.0002 + 3Ar Ar 3 0.171 1.364 3.379 0.0135 -0.0147 -0.0322 + 4Ar Ar 4 0.894 0.204 3.400 -0.0092 0.2397 -0.0435 + 5Ar Ar 5 2.097 1.272 0.595 0.2613 0.0143 0.1279 + 6Ar Ar 6 2.396 2.819 0.859 0.0118 0.2976 0.0759 + 7Ar Ar 7 1.538 2.853 1.546 0.0499 -0.0308 0.0989 + 8Ar Ar 8 2.039 0.943 2.889 -0.1910 0.1084 0.0158 + 9Ar Ar 9 0.025 2.030 1.223 0.1248 -0.1205 0.0395 + 10Ar Ar 10 0.653 0.702 2.996 0.0846 -0.0436 -0.0588 + 11Ar Ar 11 1.209 0.283 2.184 -0.0949 -0.0005 -0.0686 + 12Ar Ar 12 1.601 0.619 1.056 -0.0044 0.2070 0.0933 + 13Ar Ar 13 0.816 2.841 3.391 -0.0512 0.0019 0.0439 + 14Ar Ar 14 0.961 2.271 1.165 -0.1133 0.0003 0.0128 + 15Ar Ar 15 2.597 1.153 2.436 -0.0164 0.1913 -0.2126 + 16Ar Ar 16 3.349 2.336 3.395 0.2275 0.0161 0.0446 + 17Ar Ar 17 2.807 0.497 1.245 -0.0142 0.0920 0.0321 + 18Ar Ar 18 3.072 0.866 1.759 -0.0918 -0.0096 -0.0251 + 19Ar Ar 19 0.566 0.482 3.535 0.1324 0.1543 0.0805 + 20Ar Ar 20 2.572 2.246 0.510 0.0718 -0.0333 0.0268 + 21Ar Ar 21 2.095 0.926 0.595 -0.0467 -0.1112 -0.0417 + 22Ar Ar 22 1.838 0.394 3.434 0.1869 -0.0529 -0.0817 + 23Ar Ar 23 0.590 1.830 1.724 0.0229 -0.0146 0.1596 + 24Ar Ar 24 2.655 1.276 1.385 -0.1436 0.0611 -0.1343 + 25Ar Ar 25 1.853 0.935 0.965 -0.1901 0.1275 0.1137 + 26Ar Ar 26 0.973 3.021 1.295 -0.0378 0.1057 -0.0783 + 27Ar Ar 27 1.828 3.084 1.504 0.1811 -0.0219 0.0194 + 28Ar Ar 28 3.356 0.075 1.135 0.0401 -0.1909 0.0288 + 29Ar Ar 29 2.721 1.711 2.879 0.0104 -0.0588 0.0824 + 30Ar Ar 30 2.216 0.749 2.591 -0.1318 0.1314 0.0019 + 31Ar Ar 31 2.217 2.801 0.539 0.0005 -0.0496 -0.0051 + 32Ar Ar 32 1.761 2.729 2.946 0.0663 0.0489 -0.0099 + 33Ar Ar 33 0.482 0.276 0.842 -0.1312 0.1223 0.2670 + 34Ar Ar 34 2.584 1.737 0.881 0.0322 -0.0579 -0.0149 + 35Ar Ar 35 1.884 0.738 1.671 0.0785 0.0580 0.1347 + 36Ar Ar 36 0.923 0.285 0.921 0.0814 -0.0895 0.0192 + 37Ar Ar 37 0.457 0.347 2.305 0.1845 0.0140 0.1107 + 38Ar Ar 38 1.326 1.117 1.938 0.3022 -0.1507 -0.0633 + 39Ar Ar 39 2.666 1.158 0.088 0.0001 -0.0389 0.1601 + 40Ar Ar 40 1.549 3.361 1.606 -0.0892 0.1411 0.0021 + 41Ar Ar 41 2.575 2.657 0.511 -0.1513 -0.2363 -0.0319 + 42Ar Ar 42 1.079 0.398 0.394 0.1269 -0.0103 -0.0991 + 43Ar Ar 43 2.772 2.026 2.475 -0.0503 0.2313 -0.0111 + 44Ar Ar 44 3.565 0.383 1.226 0.0006 0.0122 0.1546 + 45Ar Ar 45 2.862 1.271 2.733 0.0720 -0.2927 -0.0077 + 46Ar Ar 46 0.630 0.719 2.614 -0.0922 0.1398 0.0459 + 47Ar Ar 47 2.026 1.138 1.939 0.0135 -0.0947 0.2028 + 48Ar Ar 48 0.230 1.360 1.281 0.0230 -0.1178 0.0866 + 49Ar Ar 49 2.685 0.198 1.765 -0.0558 -0.2046 0.1484 + 50Ar Ar 50 3.135 2.499 1.412 -0.0647 0.0226 -0.0707 + 51Ar Ar 51 1.644 3.498 3.511 -0.1336 0.1147 -0.2299 + 52Ar Ar 52 3.444 0.562 2.356 -0.0861 -0.0461 0.1691 + 53Ar Ar 53 0.413 0.166 0.468 0.0740 0.0148 0.0259 + 54Ar Ar 54 2.367 2.254 3.126 -0.1672 -0.0288 -0.0103 + 55Ar Ar 55 2.639 0.817 0.735 -0.0003 -0.2693 0.0954 + 56Ar Ar 56 3.509 0.747 2.037 -0.1086 0.2815 0.0462 + 57Ar Ar 57 1.736 1.526 0.674 -0.0482 -0.0131 -0.1465 + 58Ar Ar 58 1.275 2.945 0.227 -0.1472 0.0200 -0.2387 + 59Ar Ar 59 2.261 2.759 1.988 -0.1152 0.0192 0.0640 + 60Ar Ar 60 1.918 0.592 2.374 0.0441 0.1977 0.0311 + 61Ar Ar 61 0.045 0.064 1.389 -0.1615 -0.0534 0.0005 + 62Ar Ar 62 0.542 2.657 2.379 -0.0085 -0.0476 0.1203 + 63Ar Ar 63 0.671 2.152 3.160 0.0416 -0.0649 0.1948 + 64Ar Ar 64 3.288 1.843 0.963 0.0391 0.0958 0.0286 + 65Ar Ar 65 1.049 2.598 3.442 0.1970 -0.1227 0.0146 + 66Ar Ar 66 0.362 1.050 3.522 0.1655 -0.1399 0.0250 + 67Ar Ar 67 2.059 1.505 1.236 -0.0345 0.0186 -0.0697 + 68Ar Ar 68 0.014 0.055 2.885 0.0849 -0.0492 0.0798 + 69Ar Ar 69 0.387 2.741 1.095 -0.0884 -0.0888 -0.2719 + 70Ar Ar 70 3.591 1.045 3.431 0.0147 -0.2423 -0.0474 + 71Ar Ar 71 2.375 2.922 3.140 0.1558 -0.0346 0.0744 + 72Ar Ar 72 2.383 1.455 2.526 -0.1169 0.1764 0.0976 + 73Ar Ar 73 3.110 2.479 1.054 -0.1208 -0.1193 0.0705 + 74Ar Ar 74 2.486 0.469 1.988 0.0800 0.0323 -0.0404 + 75Ar Ar 75 2.152 0.066 1.354 0.0578 -0.1338 -0.0946 + 76Ar Ar 76 0.463 2.823 2.787 0.1965 0.0150 0.0401 + 77Ar Ar 77 3.306 0.830 1.051 0.0240 0.0702 0.1033 + 78Ar Ar 78 3.318 0.036 3.052 -0.0603 -0.2016 0.2659 + 79Ar Ar 79 0.753 0.332 1.296 -0.0783 -0.0048 -0.0628 + 80Ar Ar 80 3.319 2.692 3.466 0.0375 0.1735 -0.1291 + 81Ar Ar 81 1.629 1.271 2.101 -0.2203 0.1268 0.0962 + 82Ar Ar 82 3.411 3.392 1.354 0.2198 -0.2164 0.0263 + 83Ar Ar 83 3.094 2.115 3.363 -0.0042 0.1357 0.1971 + 84Ar Ar 84 0.616 0.735 2.260 0.2975 -0.0309 -0.1408 + 85Ar Ar 85 0.914 0.366 3.091 0.0177 0.1257 0.2754 + 86Ar Ar 86 2.380 0.107 2.846 0.0367 0.0087 0.0417 + 87Ar Ar 87 1.875 2.978 0.506 0.0817 0.0379 -0.0265 + 88Ar Ar 88 0.479 3.000 2.472 -0.0531 0.2751 0.0552 + 89Ar Ar 89 1.190 0.246 0.082 -0.2328 0.0715 -0.0620 + 90Ar Ar 90 2.007 2.282 3.302 -0.1452 0.0661 0.0502 + 91Ar Ar 91 1.705 3.250 2.213 -0.2617 -0.1640 0.1755 + 92Ar Ar 92 0.612 0.485 0.328 0.0030 0.0815 -0.2384 + 93Ar Ar 93 0.687 1.339 0.850 0.0993 0.0411 0.0425 + 94Ar Ar 94 1.349 3.137 2.148 -0.0027 -0.0351 0.1102 + 95Ar Ar 95 1.933 0.031 0.611 -0.1850 0.0196 0.0205 + 96Ar Ar 96 1.597 2.878 2.270 -0.0532 0.1265 0.0256 + 97Ar Ar 97 1.640 1.585 2.716 -0.0590 0.1054 -0.0543 + 98Ar Ar 98 1.448 3.199 3.541 -0.0805 0.0914 -0.0128 + 99Ar Ar 99 0.603 0.826 3.455 0.0597 0.2261 0.0666 + 100Ar Ar 100 3.255 2.973 0.983 0.0436 -0.1960 -0.1732 + 101Ar Ar 101 0.826 0.759 1.227 0.0054 0.1356 -0.0049 + 102Ar Ar 102 2.188 2.578 1.684 -0.1292 -0.0079 0.0102 + 103Ar Ar 103 0.271 0.630 1.009 0.1971 -0.0195 -0.1367 + 104Ar Ar 104 2.639 1.420 0.313 -0.0431 -0.0358 -0.0102 + 105Ar Ar 105 0.061 3.428 0.946 -0.0415 -0.2738 0.0990 + 106Ar Ar 106 0.318 2.257 1.944 -0.0907 0.0804 0.0021 + 107Ar Ar 107 0.763 0.216 0.547 -0.0706 -0.0027 0.1036 + 108Ar Ar 108 2.400 0.086 3.187 -0.0519 -0.0090 0.1626 + 109Ar Ar 109 1.134 0.261 1.493 0.0408 -0.0177 -0.0037 + 110Ar Ar 110 0.482 3.030 0.492 0.0661 -0.0327 0.0456 + 111Ar Ar 111 1.933 1.880 0.659 -0.1495 0.0531 -0.0742 + 112Ar Ar 112 1.394 2.482 1.689 -0.1609 -0.1351 0.0797 + 113Ar Ar 113 2.059 1.671 3.425 0.2337 0.0315 -0.0650 + 114Ar Ar 114 1.497 1.112 2.649 0.0662 -0.0190 0.0502 + 115Ar Ar 115 2.985 0.468 0.874 -0.0650 -0.0653 0.0416 + 116Ar Ar 116 2.987 3.347 2.321 0.2587 -0.1958 -0.0246 + 117Ar Ar 117 0.881 2.687 1.181 -0.0238 -0.1078 0.1043 + 118Ar Ar 118 1.122 2.078 0.108 0.0855 -0.1496 -0.0182 + 119Ar Ar 119 2.520 2.455 0.802 0.1345 0.0082 -0.1933 + 120Ar Ar 120 1.246 1.965 2.708 0.1079 0.0575 0.0311 + 121Ar Ar 121 0.905 2.630 2.254 0.0546 0.1974 0.1170 + 122Ar Ar 122 0.353 0.489 0.587 -0.0019 -0.3450 -0.0684 + 123Ar Ar 123 2.184 2.221 0.725 0.0139 -0.0786 0.0519 + 124Ar Ar 124 2.831 2.127 0.071 0.1700 -0.2561 -0.0860 + 125Ar Ar 125 1.716 2.378 0.827 -0.1742 0.0450 0.1686 + 126Ar Ar 126 0.929 2.399 0.138 -0.0391 0.2200 0.1202 + 127Ar Ar 127 2.094 2.017 3.548 -0.0359 -0.0677 0.3086 + 128Ar Ar 128 0.953 1.377 2.421 0.0487 0.0947 -0.1635 + 129Ar Ar 129 1.915 2.196 1.076 0.0026 0.0010 0.2531 + 130Ar Ar 130 1.764 1.243 2.866 -0.0263 -0.0301 0.0141 + 131Ar Ar 131 0.695 2.960 1.032 -0.1842 0.0110 -0.1291 + 132Ar Ar 132 2.499 3.301 2.994 0.0811 0.0044 -0.1631 + 133Ar Ar 133 2.108 0.408 0.385 0.0628 -0.0270 0.1620 + 134Ar Ar 134 3.425 2.983 0.538 0.0965 0.2001 0.2074 + 135Ar Ar 135 0.882 2.231 0.817 -0.2132 -0.0945 0.0166 + 136Ar Ar 136 0.634 1.038 2.023 0.1963 -0.0383 0.1690 + 137Ar Ar 137 3.476 2.362 1.346 0.1615 0.0205 0.0581 + 138Ar Ar 138 3.328 3.328 1.008 0.0722 -0.0892 -0.2359 + 139Ar Ar 139 3.529 1.915 1.995 -0.1542 0.1829 -0.1286 + 140Ar Ar 140 1.696 2.882 0.828 0.1222 -0.1461 -0.2751 + 141Ar Ar 141 2.488 1.282 2.810 0.0473 -0.1697 0.0497 + 142Ar Ar 142 0.172 0.733 1.692 -0.2195 -0.0479 0.0276 + 143Ar Ar 143 2.907 2.796 0.401 -0.0654 -0.0740 -0.0804 + 144Ar Ar 144 3.349 1.294 2.291 -0.0435 0.1950 -0.1385 + 145Ar Ar 145 2.391 3.347 0.197 -0.2782 -0.0824 -0.1267 + 146Ar Ar 146 0.656 2.875 1.447 0.0012 0.0756 -0.1872 + 147Ar Ar 147 0.608 1.462 0.217 -0.0935 0.1583 -0.0462 + 148Ar Ar 148 2.151 2.564 3.515 -0.1139 -0.0612 0.0926 + 149Ar Ar 149 1.389 3.284 0.835 0.2308 0.0312 0.0825 + 150Ar Ar 150 3.489 0.675 1.421 -0.1645 0.0433 0.0380 + 151Ar Ar 151 2.479 3.119 1.317 -0.0429 0.0994 0.0046 + 152Ar Ar 152 0.146 2.923 2.193 -0.0412 -0.1330 -0.1605 + 153Ar Ar 153 1.808 1.754 0.042 0.0312 0.3188 -0.0757 + 154Ar Ar 154 0.872 1.984 1.545 -0.0932 0.0790 0.0750 + 155Ar Ar 155 1.841 2.258 1.461 0.0294 -0.0590 0.1744 + 156Ar Ar 156 2.480 0.578 0.473 -0.2250 -0.1806 -0.1923 + 157Ar Ar 157 2.450 0.508 1.067 -0.0176 0.1419 0.0596 + 158Ar Ar 158 1.670 1.705 1.918 -0.1459 -0.1761 0.0835 + 159Ar Ar 159 2.514 1.789 2.616 0.0239 -0.2328 0.1481 + 160Ar Ar 160 0.748 0.066 1.528 0.0096 0.1479 0.1536 + 161Ar Ar 161 2.393 2.786 1.472 -0.0074 -0.0270 0.1095 + 162Ar Ar 162 3.445 1.552 1.458 -0.0024 0.0456 -0.2137 + 163Ar Ar 163 3.226 3.045 2.252 0.1311 0.1884 -0.0100 + 164Ar Ar 164 3.338 0.525 0.927 0.1080 0.2656 0.1403 + 165Ar Ar 165 0.047 1.609 1.107 -0.1857 -0.0776 0.1024 + 166Ar Ar 166 1.268 1.268 1.207 0.3480 -0.0869 0.1807 + 167Ar Ar 167 0.612 1.826 0.316 0.2478 -0.0222 0.1332 + 168Ar Ar 168 3.141 1.257 2.980 -0.0601 0.0693 -0.1606 + 169Ar Ar 169 0.867 3.153 1.660 -0.0283 -0.2916 0.1548 + 170Ar Ar 170 2.009 1.322 3.497 -0.2044 -0.0552 0.1189 + 171Ar Ar 171 1.576 0.524 2.836 -0.2274 0.0426 0.1234 + 172Ar Ar 172 3.011 0.008 3.224 0.1718 -0.1943 -0.1211 + 173Ar Ar 173 3.242 2.367 0.667 -0.0508 0.1645 0.2286 + 174Ar Ar 174 2.466 2.394 3.457 -0.0627 -0.0388 -0.0270 + 175Ar Ar 175 3.456 2.092 2.714 0.0907 -0.1011 -0.1067 + 176Ar Ar 176 3.164 0.188 1.806 -0.0434 0.1279 -0.0243 + 177Ar Ar 177 3.274 0.852 3.423 0.0177 -0.1782 0.0352 + 178Ar Ar 178 2.737 2.686 2.232 0.0791 0.2242 0.0253 + 179Ar Ar 179 2.447 2.011 3.449 0.2155 -0.0946 -0.1136 + 180Ar Ar 180 0.111 1.018 3.012 -0.0492 -0.0947 0.0574 + 181Ar Ar 181 2.062 2.734 2.345 0.0201 -0.1236 -0.0353 + 182Ar Ar 182 1.443 1.495 0.858 0.1764 -0.1787 -0.0041 + 183Ar Ar 183 3.534 0.428 1.894 0.0570 -0.0635 0.0774 + 184Ar Ar 184 3.383 0.177 2.122 0.2275 -0.1273 0.1845 + 185Ar Ar 185 2.557 0.519 1.644 0.0430 0.0407 0.0199 + 186Ar Ar 186 3.533 0.494 0.606 0.2302 -0.1796 0.1368 + 187Ar Ar 187 3.502 1.336 3.009 0.0383 0.1076 0.1536 + 188Ar Ar 188 2.810 2.500 1.830 0.0963 0.0653 -0.1401 + 189Ar Ar 189 0.393 1.933 3.227 0.1295 -0.1583 -0.0488 + 190Ar Ar 190 2.187 2.066 2.089 -0.1595 -0.1005 0.0604 + 191Ar Ar 191 2.652 2.931 0.167 0.0051 0.0770 -0.0863 + 192Ar Ar 192 2.147 2.969 3.517 -0.0335 -0.2115 0.0267 + 193Ar Ar 193 2.816 2.290 1.441 -0.0318 0.1757 -0.0167 + 194Ar Ar 194 3.489 2.277 1.781 0.1347 0.2098 0.0306 + 195Ar Ar 195 1.335 2.088 3.215 -0.1513 -0.0840 -0.0073 + 196Ar Ar 196 2.845 1.829 1.906 0.0078 0.0053 -0.2126 + 197Ar Ar 197 2.042 1.766 2.038 -0.1324 -0.1867 -0.1404 + 198Ar Ar 198 3.566 0.678 3.185 0.0609 -0.0770 -0.0827 + 199Ar Ar 199 1.393 1.427 2.322 -0.0782 0.2065 -0.0192 + 200Ar Ar 200 1.306 1.928 0.416 0.0687 0.0680 -0.4908 + 201Ar Ar 201 3.052 2.687 2.446 0.0780 -0.0215 0.0015 + 202Ar Ar 202 0.823 0.094 2.150 0.2022 0.0474 -0.0875 + 203Ar Ar 203 2.716 3.272 0.397 -0.2041 0.0481 -0.1201 + 204Ar Ar 204 0.472 2.603 3.065 -0.1433 -0.1575 0.0459 + 205Ar Ar 205 1.918 0.603 2.012 0.1931 -0.0330 -0.1355 + 206Ar Ar 206 0.435 0.800 0.193 -0.0298 0.3153 -0.1142 + 207Ar Ar 207 0.332 1.452 0.509 0.1815 -0.0840 -0.0120 + 208Ar Ar 208 0.848 2.239 2.266 -0.0359 0.0204 -0.2131 + 209Ar Ar 209 2.109 1.625 0.518 0.2222 -0.0949 0.0649 + 210Ar Ar 210 0.687 3.315 2.318 0.2132 -0.0697 -0.0737 + 211Ar Ar 211 2.377 2.478 2.213 0.4152 -0.2286 -0.0748 + 212Ar Ar 212 3.050 0.199 2.836 0.0998 0.0319 -0.1080 + 213Ar Ar 213 2.640 2.831 1.138 -0.0748 -0.0260 -0.3066 + 214Ar Ar 214 1.187 0.552 0.868 -0.0991 -0.0194 0.0288 + 215Ar Ar 215 2.871 2.742 0.895 -0.2557 0.1133 0.1335 + 216Ar Ar 216 3.190 1.792 1.641 0.0330 -0.0597 0.1429 + 217Ar Ar 217 2.103 2.021 1.394 0.3061 -0.0412 0.3241 + 218Ar Ar 218 1.505 0.488 0.686 0.0329 0.2014 -0.0581 + 219Ar Ar 219 1.230 2.286 2.086 -0.1722 -0.0645 0.1128 + 220Ar Ar 220 1.282 2.328 3.526 0.1832 -0.0204 -0.0592 + 221Ar Ar 221 1.416 2.643 3.212 0.0508 0.0033 0.1409 + 222Ar Ar 222 0.693 0.039 2.466 -0.0217 -0.1271 0.0665 + 223Ar Ar 223 2.714 2.964 0.696 0.0398 0.0971 0.0871 + 224Ar Ar 224 2.836 1.096 0.914 0.0372 -0.0641 0.0031 + 225Ar Ar 225 3.411 1.115 2.724 0.1812 0.0686 -0.0839 + 226Ar Ar 226 3.200 1.886 0.430 0.0550 0.1950 -0.0510 + 227Ar Ar 227 2.429 3.463 1.362 -0.0704 -0.0896 0.0187 + 228Ar Ar 228 2.379 1.081 0.738 0.1768 0.1566 0.2011 + 229Ar Ar 229 3.267 3.194 2.584 -0.0480 -0.0478 0.0403 + 230Ar Ar 230 0.327 0.108 3.069 -0.1120 0.1562 -0.2219 + 231Ar Ar 231 2.897 0.097 2.513 -0.0129 -0.0487 -0.0843 + 232Ar Ar 232 2.528 1.752 0.092 0.1619 -0.1697 0.0628 + 233Ar Ar 233 2.017 0.027 2.716 0.0068 -0.1209 0.0814 + 234Ar Ar 234 2.808 2.323 2.148 0.0042 -0.0801 0.0159 + 235Ar Ar 235 3.387 0.782 0.162 -0.0986 0.0327 -0.0127 + 236Ar Ar 236 1.976 3.293 0.357 0.0133 -0.0203 0.1410 + 237Ar Ar 237 2.071 2.432 1.993 -0.1319 -0.0935 0.1848 + 238Ar Ar 238 1.155 1.961 1.336 0.0703 -0.0973 -0.0457 + 239Ar Ar 239 0.725 2.717 0.441 0.1136 0.0500 -0.0227 + 240Ar Ar 240 2.701 2.310 2.924 -0.0770 0.2524 0.0289 + 241Ar Ar 241 2.348 0.247 0.671 -0.2121 0.0879 -0.1692 + 242Ar Ar 242 1.483 1.927 3.523 0.0175 -0.0251 0.0826 + 243Ar Ar 243 0.144 0.112 1.939 0.0461 -0.1492 0.2259 + 244Ar Ar 244 2.005 2.381 2.908 -0.1705 0.0506 0.0695 + 245Ar Ar 245 2.065 3.321 2.438 0.0180 0.0972 -0.0211 + 246Ar Ar 246 1.983 0.012 1.022 -0.0881 -0.0006 0.2513 + 247Ar Ar 247 0.588 0.052 1.177 0.0627 0.0796 0.1601 + 248Ar Ar 248 3.584 1.041 1.407 0.1854 -0.1200 -0.0123 + 249Ar Ar 249 1.270 0.556 1.842 -0.0652 0.2015 -0.0307 + 250Ar Ar 250 0.990 1.503 2.070 0.1517 -0.2429 0.1697 + 251Ar Ar 251 1.927 0.921 2.227 -0.2274 -0.1907 -0.1807 + 252Ar Ar 252 0.071 1.038 0.171 0.0284 -0.2127 -0.1639 + 253Ar Ar 253 1.989 0.077 3.319 -0.1818 0.0426 -0.0231 + 254Ar Ar 254 0.043 2.101 3.323 -0.0313 -0.0678 -0.0365 + 255Ar Ar 255 2.233 2.438 0.450 0.0444 0.0331 0.2482 + 256Ar Ar 256 1.584 2.589 1.042 0.0592 -0.0718 -0.0488 + 257Ar Ar 257 3.443 0.936 1.734 -0.1340 0.1419 -0.0144 + 258Ar Ar 258 1.161 0.037 3.055 0.2524 0.0875 0.1873 + 259Ar Ar 259 3.451 2.459 0.131 0.0583 0.1652 -0.0067 + 260Ar Ar 260 0.567 2.757 0.079 0.1441 -0.0685 -0.3070 + 261Ar Ar 261 0.833 1.853 3.263 -0.0422 0.1312 -0.1467 + 262Ar Ar 262 0.161 1.579 1.783 0.0503 -0.1852 -0.1272 + 263Ar Ar 263 0.454 1.905 2.431 0.0497 0.2514 0.0578 + 264Ar Ar 264 0.289 1.368 0.124 0.1136 -0.0202 -0.0174 + 265Ar Ar 265 1.873 3.168 0.024 -0.0141 -0.1767 -0.1317 + 266Ar Ar 266 0.958 1.259 3.530 0.0190 0.1888 0.0409 + 267Ar Ar 267 0.914 0.590 1.545 -0.0009 0.1780 0.0900 + 268Ar Ar 268 1.138 1.882 3.432 -0.0466 0.1549 0.0214 + 269Ar Ar 269 1.979 0.974 1.290 0.1572 0.1953 -0.0151 + 270Ar Ar 270 3.517 2.096 0.071 -0.0258 0.0597 -0.2631 + 271Ar Ar 271 2.477 1.756 1.901 0.2424 -0.2045 0.0011 + 272Ar Ar 272 2.734 0.712 2.575 0.0606 -0.0006 0.3310 + 273Ar Ar 273 2.228 2.879 1.162 0.1414 0.3213 -0.0610 + 274Ar Ar 274 0.668 1.579 0.594 0.0275 -0.1530 0.0031 + 275Ar Ar 275 2.263 1.841 0.742 0.0218 -0.0913 -0.0065 + 276Ar Ar 276 1.767 1.679 1.081 -0.0063 0.0827 0.0005 + 277Ar Ar 277 0.423 1.196 3.101 0.1595 -0.1779 0.0404 + 278Ar Ar 278 2.723 2.939 3.332 0.1795 0.0221 0.2156 + 279Ar Ar 279 3.373 0.395 3.104 -0.0084 0.0452 -0.0091 + 280Ar Ar 280 1.479 2.222 0.197 0.1564 0.0550 0.0630 + 281Ar Ar 281 0.125 0.489 2.191 -0.1335 -0.1163 0.2705 + 282Ar Ar 282 3.325 0.280 1.468 -0.0759 -0.3338 -0.2955 + 283Ar Ar 283 0.190 3.295 2.914 0.0050 0.0458 0.1226 + 284Ar Ar 284 2.978 1.121 1.303 0.1115 -0.0322 -0.0461 + 285Ar Ar 285 0.176 2.400 0.416 -0.1610 -0.0277 0.1471 + 286Ar Ar 286 3.107 1.581 2.879 0.0415 -0.0529 0.1043 + 287Ar Ar 287 3.177 1.165 1.010 0.1417 -0.0513 -0.0736 + 288Ar Ar 288 2.173 3.235 3.302 0.1947 0.1147 -0.0328 + 289Ar Ar 289 0.255 3.123 0.758 0.2238 0.1674 -0.0214 + 290Ar Ar 290 0.389 1.741 2.053 -0.1485 -0.0635 0.0020 + 291Ar Ar 291 0.786 1.366 2.902 0.2329 0.0370 -0.1172 + 292Ar Ar 292 0.569 1.956 0.744 -0.0279 -0.1592 -0.1208 + 293Ar Ar 293 1.812 2.937 1.138 0.0695 -0.1594 0.0271 + 294Ar Ar 294 0.230 2.110 2.644 -0.0143 0.0669 0.0267 + 295Ar Ar 295 0.707 1.644 2.530 -0.1360 -0.1058 0.0400 + 296Ar Ar 296 0.007 3.046 1.647 -0.0586 -0.0513 0.1139 + 297Ar Ar 297 1.750 1.124 0.645 0.1090 -0.2636 0.0750 + 298Ar Ar 298 1.094 1.801 2.363 -0.1630 0.0270 -0.0499 + 299Ar Ar 299 0.693 2.050 0.001 -0.1070 -0.1038 -0.1762 + 300Ar Ar 300 1.530 2.130 0.540 0.0298 -0.0309 0.0668 + 301Ar Ar 301 1.069 2.888 2.693 -0.0159 0.0555 -0.0552 + 302Ar Ar 302 0.855 2.967 2.348 -0.0391 0.1446 0.0024 + 303Ar Ar 303 0.411 3.366 3.180 0.0338 0.0039 -0.0526 + 304Ar Ar 304 2.989 2.471 3.489 0.0693 0.0626 0.1332 + 305Ar Ar 305 2.878 1.421 1.038 0.1025 -0.1030 -0.3146 + 306Ar Ar 306 0.925 0.547 0.070 0.0521 0.3612 -0.0574 + 307Ar Ar 307 2.381 1.240 1.746 0.0987 0.0218 0.2092 + 308Ar Ar 308 0.811 1.996 2.615 0.1291 -0.0202 -0.0856 + 309Ar Ar 309 0.815 1.773 2.930 0.1028 -0.2170 0.0252 + 310Ar Ar 310 1.393 0.873 1.690 -0.0015 0.0609 -0.0837 + 311Ar Ar 311 2.393 1.060 2.068 0.0041 -0.0799 0.2208 + 312Ar Ar 312 3.123 3.156 1.237 0.0792 0.0241 -0.2104 + 313Ar Ar 313 2.092 0.058 2.337 -0.0017 -0.1468 0.1164 + 314Ar Ar 314 0.567 2.071 2.099 0.2234 0.0891 0.1925 + 315Ar Ar 315 1.364 2.206 0.863 0.0847 -0.0060 -0.0240 + 316Ar Ar 316 0.253 3.474 3.538 0.0097 0.0621 -0.1396 + 317Ar Ar 317 0.357 1.249 1.986 -0.1336 -0.0752 -0.0880 + 318Ar Ar 318 3.541 0.774 2.786 -0.0810 -0.1420 -0.0239 + 319Ar Ar 319 2.937 1.775 1.156 -0.0359 -0.1617 -0.1695 + 320Ar Ar 320 1.953 1.645 1.513 -0.0897 0.1075 0.0945 + 321Ar Ar 321 1.084 0.018 2.436 -0.0996 0.3804 -0.0965 + 322Ar Ar 322 2.648 1.612 1.310 0.0669 -0.1765 -0.0973 + 323Ar Ar 323 2.128 0.563 3.309 0.0305 0.0547 -0.0897 + 324Ar Ar 324 3.005 2.410 3.132 0.2973 -0.1520 0.1679 + 325Ar Ar 325 0.654 2.457 2.050 -0.0642 -0.1973 0.2703 + 326Ar Ar 326 2.010 1.673 2.994 -0.0281 -0.0736 -0.0119 + 327Ar Ar 327 0.371 0.825 3.172 -0.1211 0.0621 -0.1566 + 328Ar Ar 328 0.407 0.383 1.309 0.2263 0.0338 -0.2735 + 329Ar Ar 329 1.266 1.799 0.814 0.1520 -0.1927 0.1486 + 330Ar Ar 330 1.319 1.675 2.018 0.0883 -0.0085 -0.2248 + 331Ar Ar 331 1.487 0.199 2.430 -0.0250 -0.0448 0.0589 + 332Ar Ar 332 1.570 3.219 0.294 -0.1759 -0.0370 -0.1314 + 333Ar Ar 333 0.662 3.249 0.741 -0.0241 -0.0900 -0.2264 + 334Ar Ar 334 0.009 0.143 3.574 0.0637 -0.0597 0.0840 + 335Ar Ar 335 2.443 3.532 0.508 -0.0468 0.2933 0.0362 + 336Ar Ar 336 1.803 1.224 2.394 -0.2085 0.0047 0.2224 + 337Ar Ar 337 2.568 1.968 3.043 -0.1278 0.1111 0.0507 + 338Ar Ar 338 2.222 3.060 0.285 -0.0285 -0.0273 -0.0497 + 339Ar Ar 339 0.558 1.801 1.338 -0.1160 0.0582 0.0105 + 340Ar Ar 340 3.254 0.790 2.538 -0.1284 -0.1224 0.0593 + 341Ar Ar 341 0.628 2.840 2.117 0.1177 0.1202 0.0174 + 342Ar Ar 342 0.278 0.718 2.422 0.0359 -0.0884 -0.0767 + 343Ar Ar 343 1.523 2.177 2.445 0.1490 -0.1272 0.0150 + 344Ar Ar 344 1.579 0.566 2.464 0.2035 0.0406 0.0258 + 345Ar Ar 345 2.738 0.227 3.470 0.1542 -0.2424 0.2981 + 346Ar Ar 346 2.197 1.360 3.137 0.2275 -0.0300 -0.2118 + 347Ar Ar 347 1.007 3.484 3.517 0.0591 0.0569 -0.0720 + 348Ar Ar 348 2.057 1.875 1.050 -0.0100 0.1209 -0.0753 + 349Ar Ar 349 0.109 0.345 1.562 0.3079 0.0451 -0.0537 + 350Ar Ar 350 3.358 1.742 3.399 -0.0810 0.1064 -0.0537 + 351Ar Ar 351 0.942 0.814 2.394 -0.1224 -0.0803 -0.0883 + 352Ar Ar 352 0.081 1.186 0.514 0.0332 0.0005 -0.1143 + 353Ar Ar 353 3.254 3.180 1.624 -0.0704 0.0013 -0.1126 + 354Ar Ar 354 1.544 0.088 0.683 -0.0294 0.1483 -0.0527 + 355Ar Ar 355 1.012 1.959 1.009 0.1682 -0.1569 -0.0248 + 356Ar Ar 356 0.933 2.827 0.121 0.3046 -0.0494 -0.0893 + 357Ar Ar 357 2.929 0.584 0.518 0.0383 -0.1106 -0.0970 + 358Ar Ar 358 0.405 3.007 3.193 -0.2286 -0.2714 0.1377 + 359Ar Ar 359 1.628 2.845 0.287 0.1937 -0.1221 -0.1272 + 360Ar Ar 360 1.754 3.540 2.387 0.1366 0.0689 0.0445 + 361Ar Ar 361 0.118 0.430 2.589 0.2789 -0.1129 -0.0565 + 362Ar Ar 362 0.691 0.069 3.020 0.0516 -0.1784 0.3070 + 363Ar Ar 363 1.907 0.358 1.540 -0.0337 0.0583 -0.1001 + 364Ar Ar 364 2.125 3.343 0.791 -0.0791 0.3149 0.0446 + 365Ar Ar 365 2.063 2.947 0.832 0.1154 -0.1476 0.1409 + 366Ar Ar 366 0.345 3.055 1.473 -0.0133 -0.0255 0.0617 + 367Ar Ar 367 0.812 0.420 2.424 0.0899 0.0477 0.1567 + 368Ar Ar 368 0.555 0.399 3.190 -0.0886 0.1818 0.0269 + 369Ar Ar 369 1.902 3.515 3.018 -0.0624 -0.0758 0.0202 + 370Ar Ar 370 2.865 3.471 1.723 0.1260 0.0090 0.3016 + 371Ar Ar 371 1.090 3.084 0.891 -0.0993 -0.0171 -0.2499 + 372Ar Ar 372 0.642 1.343 2.232 0.1398 -0.0767 0.1050 + 373Ar Ar 373 2.897 1.015 2.072 0.3045 -0.1000 -0.2463 + 374Ar Ar 374 2.498 2.710 2.521 -0.1249 0.1007 0.0299 + 375Ar Ar 375 3.436 2.284 3.002 -0.1231 0.0370 -0.3210 + 376Ar Ar 376 0.389 1.044 1.729 0.1564 -0.0100 0.0036 + 377Ar Ar 377 2.800 1.935 0.591 0.0607 -0.0597 0.0457 + 378Ar Ar 378 3.573 3.455 2.617 -0.0453 0.0933 0.0193 + 379Ar Ar 379 1.470 3.165 2.493 0.1606 -0.1852 0.1464 + 380Ar Ar 380 1.352 3.063 2.848 -0.1925 -0.0003 -0.1323 + 381Ar Ar 381 1.311 3.424 0.498 0.0803 -0.0158 -0.1065 + 382Ar Ar 382 1.885 3.528 1.600 -0.1212 0.1626 0.1310 + 383Ar Ar 383 0.836 2.215 1.867 -0.2130 0.1186 0.0284 + 384Ar Ar 384 2.954 0.822 1.102 -0.0714 0.0696 -0.0576 + 385Ar Ar 385 2.386 2.988 2.320 -0.0995 0.1935 0.4136 + 386Ar Ar 386 2.675 0.408 0.692 0.0355 -0.1425 -0.0292 + 387Ar Ar 387 0.574 0.424 1.605 0.0344 0.0609 -0.0976 + 388Ar Ar 388 2.958 1.969 2.920 -0.1722 -0.2226 -0.0738 + 389Ar Ar 389 1.973 3.527 0.018 -0.1491 -0.0184 -0.0196 + 390Ar Ar 390 0.550 3.239 2.886 -0.0712 -0.1703 0.0980 + 391Ar Ar 391 2.391 0.674 0.060 -0.0630 -0.0333 -0.2516 + 392Ar Ar 392 0.553 2.402 0.153 -0.1452 0.0780 0.1180 + 393Ar Ar 393 3.096 3.440 0.064 -0.0351 -0.0795 -0.0746 + 394Ar Ar 394 3.242 1.512 0.409 -0.0606 0.1438 -0.0447 + 395Ar Ar 395 2.176 2.402 2.495 0.1074 -0.3926 0.0423 + 396Ar Ar 396 0.967 0.066 1.213 -0.0724 -0.0289 -0.1063 + 397Ar Ar 397 1.273 2.835 2.371 -0.0855 0.2068 0.0874 + 398Ar Ar 398 3.055 3.099 0.307 -0.1915 -0.1053 -0.0710 + 399Ar Ar 399 2.966 0.689 2.316 0.0521 0.1906 -0.0970 + 400Ar Ar 400 2.452 0.289 1.379 -0.0272 0.0485 0.0874 + 401Ar Ar 401 1.850 0.631 0.586 0.0386 -0.0478 -0.1100 + 402Ar Ar 402 1.344 0.255 1.003 0.1205 0.1350 -0.0292 + 403Ar Ar 403 0.092 1.939 3.007 0.2181 -0.2055 0.0615 + 404Ar Ar 404 2.619 2.028 2.089 0.0013 0.0476 -0.0094 + 405Ar Ar 405 0.055 1.242 1.662 -0.0580 0.0221 -0.0657 + 406Ar Ar 406 1.326 3.302 1.854 -0.1701 0.1060 0.0931 + 407Ar Ar 407 1.081 3.256 0.233 0.0249 0.2528 0.0832 + 408Ar Ar 408 1.565 0.122 1.597 -0.2845 0.0092 -0.0994 + 409Ar Ar 409 1.935 1.442 2.120 -0.1050 0.0584 -0.1504 + 410Ar Ar 410 2.973 1.392 2.244 0.1755 -0.0818 -0.0482 + 411Ar Ar 411 3.384 2.688 1.118 -0.1096 0.1548 -0.1816 + 412Ar Ar 412 2.067 3.252 1.175 -0.1794 0.2538 -0.1823 + 413Ar Ar 413 1.151 1.157 2.744 0.2433 -0.2369 -0.0102 + 414Ar Ar 414 0.989 2.335 2.803 0.0115 -0.0265 0.0897 + 415Ar Ar 415 3.484 1.639 2.768 -0.0258 -0.1221 -0.1008 + 416Ar Ar 416 2.791 1.125 1.658 -0.1378 -0.1845 -0.0814 + 417Ar Ar 417 2.723 0.727 0.212 -0.0519 0.0472 0.0534 + 418Ar Ar 418 0.144 3.407 1.636 0.2558 -0.2255 -0.0274 + 419Ar Ar 419 1.795 1.880 2.599 -0.1606 -0.0679 -0.1309 + 420Ar Ar 420 1.822 0.610 0.213 -0.0978 0.2576 -0.1702 + 421Ar Ar 421 3.197 2.400 2.140 -0.0897 0.0845 0.0504 + 422Ar Ar 422 1.499 3.023 0.588 0.0235 0.2441 0.0601 + 423Ar Ar 423 0.675 1.089 0.098 -0.0323 0.1020 -0.2335 + 424Ar Ar 424 3.253 1.158 3.595 -0.1404 -0.0878 -0.0629 + 425Ar Ar 425 0.031 1.385 2.624 0.1393 -0.0893 -0.0233 + 426Ar Ar 426 1.551 2.479 2.659 0.1220 -0.1557 0.0030 + 427Ar Ar 427 1.954 0.328 0.740 0.1163 0.0059 0.0094 + 428Ar Ar 428 1.745 3.385 1.309 0.0300 -0.0207 0.2076 + 429Ar Ar 429 1.683 0.276 0.951 0.0662 -0.2439 -0.0324 + 430Ar Ar 430 3.313 2.974 1.929 0.1276 -0.0394 0.0074 + 431Ar Ar 431 1.552 3.512 1.039 -0.1773 0.1640 -0.0568 + 432Ar Ar 432 3.051 0.065 2.094 -0.0684 0.0587 0.2011 + 433Ar Ar 433 0.219 1.819 0.311 -0.0729 -0.1776 0.1518 + 434Ar Ar 434 0.062 2.876 0.963 -0.1257 0.1171 0.1063 + 435Ar Ar 435 0.733 1.070 3.244 -0.0778 -0.0096 -0.0930 + 436Ar Ar 436 2.259 2.060 0.429 -0.0329 0.2113 0.0080 + 437Ar Ar 437 2.178 0.298 3.595 -0.1853 0.0132 0.0849 + 438Ar Ar 438 0.417 3.563 2.248 -0.0228 0.0366 -0.0580 + 439Ar Ar 439 2.411 1.300 3.467 0.1876 -0.0171 -0.0532 + 440Ar Ar 440 1.836 2.625 0.487 -0.0846 -0.2137 0.0740 + 441Ar Ar 441 0.535 1.068 2.409 -0.0031 0.0058 -0.0328 + 442Ar Ar 442 3.401 2.246 0.391 -0.1397 0.0562 -0.1085 + 443Ar Ar 443 2.359 2.669 2.835 0.1469 -0.1487 0.2279 + 444Ar Ar 444 2.379 3.174 0.987 0.0506 -0.1371 -0.0324 + 445Ar Ar 445 1.465 2.568 0.559 -0.1333 0.1991 0.0746 + 446Ar Ar 446 1.821 2.113 2.118 0.0407 -0.1481 -0.1595 + 447Ar Ar 447 2.280 1.739 2.275 -0.2511 0.0269 0.0020 + 448Ar Ar 448 2.432 3.050 2.703 0.0360 0.0328 0.0268 + 449Ar Ar 449 2.187 1.160 2.352 0.1957 0.1493 0.0798 + 450Ar Ar 450 2.303 2.174 1.088 -0.1381 -0.2471 -0.0363 + 451Ar Ar 451 3.188 2.231 0.107 -0.0468 0.1065 0.0894 + 452Ar Ar 452 3.480 2.640 0.411 0.0795 0.0054 -0.1262 + 453Ar Ar 453 2.998 1.019 2.412 0.0826 -0.0435 -0.0480 + 454Ar Ar 454 1.704 1.010 1.894 0.0610 -0.2002 -0.1964 + 455Ar Ar 455 1.908 1.290 1.453 0.2238 -0.1152 -0.0165 + 456Ar Ar 456 2.149 0.320 3.028 -0.0682 -0.1372 -0.0931 + 457Ar Ar 457 2.346 1.470 0.690 0.0836 0.1860 0.0227 + 458Ar Ar 458 1.910 2.722 1.424 0.2169 0.2356 0.1539 + 459Ar Ar 459 0.435 0.160 3.480 -0.1957 -0.2030 0.0672 + 460Ar Ar 460 3.062 2.786 3.184 0.1306 0.0926 -0.0059 + 461Ar Ar 461 1.555 2.598 0.028 0.0672 0.0477 0.1031 + 462Ar Ar 462 2.592 3.321 2.453 -0.0762 -0.0821 0.1627 + 463Ar Ar 463 3.434 2.682 3.058 -0.0672 -0.2096 -0.0434 + 464Ar Ar 464 1.321 1.214 1.536 -0.0727 0.0366 -0.2116 + 465Ar Ar 465 1.594 0.321 1.956 -0.1261 -0.1850 0.1078 + 466Ar Ar 466 1.560 0.534 1.553 -0.2484 -0.0041 0.2831 + 467Ar Ar 467 3.164 3.183 0.715 0.0215 -0.0111 0.0482 + 468Ar Ar 468 1.562 2.167 1.174 -0.1633 -0.0476 -0.1162 + 469Ar Ar 469 1.819 3.221 3.272 -0.0863 -0.2323 -0.0048 + 470Ar Ar 470 3.382 1.498 1.843 0.0512 0.0825 0.0711 + 471Ar Ar 471 0.467 3.400 2.607 -0.0710 -0.3351 -0.0628 + 472Ar Ar 472 0.079 2.508 2.799 0.0054 0.1308 -0.0105 + 473Ar Ar 473 3.134 2.255 2.792 -0.0562 0.0050 0.0518 + 474Ar Ar 474 2.450 0.659 3.179 0.0424 0.1795 0.1205 + 475Ar Ar 475 1.084 1.042 0.405 -0.1322 0.1699 0.1698 + 476Ar Ar 476 2.305 1.639 1.469 0.1996 -0.2169 -0.0867 + 477Ar Ar 477 2.647 2.792 1.864 -0.0043 0.0850 0.1738 + 478Ar Ar 478 1.419 1.199 3.087 0.0747 -0.1590 0.2050 + 479Ar Ar 479 2.386 1.785 1.165 -0.0639 0.0192 0.1442 + 480Ar Ar 480 1.921 1.088 0.251 -0.0085 0.1658 -0.0413 + 481Ar Ar 481 3.071 2.589 2.851 -0.0133 -0.0661 -0.1442 + 482Ar Ar 482 1.028 3.486 1.715 0.1052 0.1555 0.0557 + 483Ar Ar 483 0.080 2.754 0.052 0.0208 -0.0788 -0.0323 + 484Ar Ar 484 3.545 0.927 2.425 -0.0186 0.0118 0.1356 + 485Ar Ar 485 0.989 2.222 3.403 -0.1407 -0.2702 -0.0682 + 486Ar Ar 486 1.398 2.894 1.002 -0.2029 0.0556 -0.0379 + 487Ar Ar 487 2.162 0.324 2.530 -0.0293 0.0124 0.0164 + 488Ar Ar 488 0.312 0.106 2.684 -0.0356 -0.0114 -0.0794 + 489Ar Ar 489 1.242 1.615 0.039 -0.0230 0.0790 -0.0354 + 490Ar Ar 490 0.460 1.290 2.678 -0.0164 0.0019 0.0390 + 491Ar Ar 491 1.789 1.413 0.296 0.3287 0.0799 -0.0024 + 492Ar Ar 492 0.528 3.093 3.541 -0.2176 0.0449 -0.1816 + 493Ar Ar 493 3.411 2.090 2.382 0.3623 -0.0891 -0.1432 + 494Ar Ar 494 3.291 0.004 0.747 0.0187 0.1843 0.0871 + 495Ar Ar 495 1.884 2.856 2.033 0.0444 0.2358 -0.1750 + 496Ar Ar 496 0.902 0.995 0.777 -0.1777 0.0828 -0.2939 + 497Ar Ar 497 2.697 1.369 3.167 0.1297 0.0540 0.0595 + 498Ar Ar 498 1.152 0.424 3.328 0.1180 -0.2211 -0.1185 + 499Ar Ar 499 1.754 2.630 1.721 -0.0656 0.0204 0.1045 + 500Ar Ar 500 2.132 3.267 1.703 -0.1221 0.1194 0.1011 + 501Ar Ar 501 1.861 2.234 2.612 -0.1777 0.0438 -0.1565 + 502Ar Ar 502 2.222 0.778 1.823 -0.1032 0.1225 0.1232 + 503Ar Ar 503 1.477 3.406 3.027 0.1565 0.0767 -0.1595 + 504Ar Ar 504 1.571 1.734 1.541 -0.0050 0.1195 -0.0502 + 505Ar Ar 505 1.497 2.104 1.528 -0.0511 -0.1114 0.2013 + 506Ar Ar 506 0.818 1.079 2.608 -0.1365 0.1233 0.1550 + 507Ar Ar 507 2.405 2.222 2.724 0.0882 -0.1984 0.0535 + 508Ar Ar 508 3.376 1.016 3.134 0.0579 -0.0628 0.1143 + 509Ar Ar 509 1.169 3.544 0.949 0.2331 -0.0023 -0.3054 + 510Ar Ar 510 1.238 0.506 2.985 -0.0058 -0.1017 -0.0012 + 511Ar Ar 511 0.294 3.224 2.277 -0.0137 -0.0338 -0.0367 + 512Ar Ar 512 1.112 3.214 2.528 0.0994 0.1490 0.0833 + 513Ar Ar 513 2.100 1.449 1.798 0.1402 0.0410 -0.0294 + 514Ar Ar 514 3.297 3.130 3.540 -0.0575 -0.0319 -0.0019 + 515Ar Ar 515 2.376 0.094 2.071 0.0508 -0.0381 -0.0755 + 516Ar Ar 516 1.900 0.927 2.574 -0.1685 0.1286 -0.2127 + 517Ar Ar 517 0.128 3.144 0.384 0.0709 -0.1079 -0.0597 + 518Ar Ar 518 3.382 1.213 0.347 0.1143 0.1965 -0.2132 + 519Ar Ar 519 2.833 3.108 1.025 -0.0040 0.0717 -0.2607 + 520Ar Ar 520 3.338 1.856 1.311 0.0475 -0.0514 0.0798 + 521Ar Ar 521 1.441 0.796 3.177 0.1650 0.0142 0.2433 + 522Ar Ar 522 1.948 0.574 1.004 0.0250 0.0205 -0.1054 + 523Ar Ar 523 3.488 0.484 3.478 -0.0573 -0.2734 -0.0591 + 524Ar Ar 524 3.510 2.594 0.789 0.0463 -0.0414 0.0408 + 525Ar Ar 525 3.072 0.242 0.534 -0.0837 0.1634 -0.0254 + 526Ar Ar 526 3.090 3.338 2.970 -0.0905 -0.1938 0.1044 + 527Ar Ar 527 1.085 2.970 1.982 0.0744 -0.0629 -0.1294 + 528Ar Ar 528 2.775 2.830 1.462 -0.1812 0.1604 0.0457 + 529Ar Ar 529 0.077 2.501 1.071 -0.0145 -0.1116 0.0592 + 530Ar Ar 530 2.727 2.457 1.116 -0.0780 -0.1525 -0.1062 + 531Ar Ar 531 2.425 3.102 0.557 -0.0649 -0.1813 -0.1772 + 532Ar Ar 532 1.934 2.020 2.931 0.2837 -0.0070 -0.0259 + 533Ar Ar 533 2.367 3.090 1.969 0.0797 0.0255 0.0846 + 534Ar Ar 534 2.159 1.721 0.161 -0.1317 0.1442 0.1362 + 535Ar Ar 535 1.613 2.282 3.403 -0.1708 0.1088 0.1080 + 536Ar Ar 536 1.581 0.859 2.273 -0.1185 -0.1770 0.0848 + 537Ar Ar 537 1.216 3.165 1.524 -0.2724 -0.0536 0.0369 + 538Ar Ar 538 1.431 2.474 2.328 0.0504 -0.0220 -0.0661 + 539Ar Ar 539 0.646 3.460 0.457 -0.0328 0.0724 0.1647 + 540Ar Ar 540 1.445 1.198 0.219 0.0247 0.1281 0.0168 + 541Ar Ar 541 1.235 2.356 1.374 0.1253 0.1248 -0.0664 + 542Ar Ar 542 3.279 0.182 3.430 0.1274 -0.1706 -0.2340 + 543Ar Ar 543 2.574 0.747 2.231 -0.1181 0.0010 -0.0710 + 544Ar Ar 544 3.566 0.400 0.240 0.0078 -0.0389 -0.1227 + 545Ar Ar 545 2.696 0.371 3.135 0.0028 -0.0968 0.0118 + 546Ar Ar 546 2.792 1.829 3.462 0.0045 0.0771 0.1723 + 547Ar Ar 547 1.214 0.819 2.688 0.0462 0.0021 0.2385 + 548Ar Ar 548 0.973 1.818 0.362 0.0779 0.0865 -0.0145 + 549Ar Ar 549 0.301 0.928 2.090 -0.0004 0.0319 -0.1928 + 550Ar Ar 550 0.942 3.370 1.396 0.1465 0.0967 -0.2216 + 551Ar Ar 551 0.146 1.028 1.069 -0.1403 -0.0778 0.1762 + 552Ar Ar 552 2.852 3.031 2.242 0.1831 0.0512 0.1628 + 553Ar Ar 553 1.007 1.359 0.686 0.0253 0.2072 0.0204 + 554Ar Ar 554 3.483 1.162 0.826 0.0124 0.0275 0.0988 + 555Ar Ar 555 2.273 1.030 0.054 0.0471 0.1105 -0.2025 + 556Ar Ar 556 2.873 3.323 2.679 -0.0299 0.1273 -0.1896 + 557Ar Ar 557 2.922 0.778 3.235 0.2361 -0.0190 -0.2457 + 558Ar Ar 558 2.748 2.250 3.333 -0.0819 -0.0256 -0.1266 + 559Ar Ar 559 0.355 2.715 0.352 -0.0824 0.1722 0.0076 + 560Ar Ar 560 3.049 0.920 0.348 -0.1559 0.1354 0.1627 + 561Ar Ar 561 3.263 1.222 1.588 -0.0542 0.0202 0.1260 + 562Ar Ar 562 0.904 1.882 0.705 0.1188 -0.1887 0.0426 + 563Ar Ar 563 0.609 0.804 1.540 -0.0318 -0.0951 -0.2137 + 564Ar Ar 564 0.653 0.654 1.892 -0.0486 -0.1128 0.0451 + 565Ar Ar 565 0.381 2.295 3.366 0.0039 0.1460 0.0501 + 566Ar Ar 566 0.598 2.332 0.608 -0.2282 0.1317 -0.1339 + 567Ar Ar 567 3.367 0.400 2.764 -0.0190 0.0618 0.0639 + 568Ar Ar 568 3.217 0.491 0.305 0.0108 -0.0575 -0.2897 + 569Ar Ar 569 0.095 3.128 2.595 -0.5265 0.0358 -0.1518 + 570Ar Ar 570 2.474 0.058 2.524 0.2848 0.1500 -0.0136 + 571Ar Ar 571 2.479 0.128 0.142 0.0331 -0.0891 -0.0117 + 572Ar Ar 572 0.173 0.743 0.431 -0.1326 0.1750 0.1016 + 573Ar Ar 573 0.769 2.657 2.752 -0.0688 0.2877 0.0074 + 574Ar Ar 574 3.543 1.391 0.048 -0.2520 0.0813 -0.0953 + 575Ar Ar 575 1.410 0.207 2.866 -0.0017 0.1118 -0.0684 + 576Ar Ar 576 0.461 2.831 1.747 -0.1991 -0.0878 0.0839 + 577Ar Ar 577 0.386 0.091 1.506 0.0199 0.0276 -0.0441 + 578Ar Ar 578 0.405 3.439 0.973 0.0039 -0.1421 -0.1570 + 579Ar Ar 579 1.760 1.914 1.331 0.0990 -0.0412 0.0782 + 580Ar Ar 580 3.282 3.073 3.176 -0.0339 -0.0616 -0.0867 + 581Ar Ar 581 2.710 0.031 2.178 -0.0329 0.1121 0.0246 + 582Ar Ar 582 1.278 0.743 0.528 -0.2073 0.0524 -0.1009 + 583Ar Ar 583 2.703 3.471 1.091 0.2343 0.0280 -0.0054 + 584Ar Ar 584 2.999 1.458 1.428 0.0552 -0.0595 0.1049 + 585Ar Ar 585 0.210 0.459 3.305 0.0582 -0.0966 -0.1680 + 586Ar Ar 586 2.775 0.674 2.934 -0.1299 0.2347 -0.0903 + 587Ar Ar 587 1.160 0.868 1.074 -0.0410 -0.0824 0.1315 + 588Ar Ar 588 1.707 0.843 2.911 0.0035 0.0244 -0.0213 + 589Ar Ar 589 3.359 3.366 2.291 0.1249 0.1326 0.0502 + 590Ar Ar 590 1.003 3.556 0.316 -0.0533 0.1006 0.0035 + 591Ar Ar 591 2.501 1.126 1.103 -0.0134 -0.1328 -0.1939 + 592Ar Ar 592 1.502 1.752 3.215 0.1253 0.0219 -0.0828 + 593Ar Ar 593 2.960 2.238 0.417 -0.0517 -0.0576 0.2038 + 594Ar Ar 594 0.361 2.433 1.305 0.0947 0.2017 -0.1196 + 595Ar Ar 595 0.434 1.786 2.805 -0.1520 -0.0678 -0.0988 + 596Ar Ar 596 0.630 3.450 3.538 -0.0816 0.0592 0.0540 + 597Ar Ar 597 1.802 3.237 1.843 -0.0803 0.0844 0.0788 + 598Ar Ar 598 0.909 1.486 3.247 0.0514 -0.1242 -0.0972 + 599Ar Ar 599 1.065 2.555 2.547 0.0049 0.1072 -0.1086 + 600Ar Ar 600 2.107 2.895 2.726 -0.2191 0.3012 -0.0262 + 601Ar Ar 601 1.172 2.573 0.947 0.1396 0.0330 0.1098 + 602Ar Ar 602 2.195 2.351 1.402 0.1091 0.2465 -0.0691 + 603Ar Ar 603 1.749 3.103 2.911 0.0669 -0.0231 -0.0801 + 604Ar Ar 604 2.756 1.092 0.521 -0.0310 -0.0500 -0.1138 + 605Ar Ar 605 2.067 3.107 2.161 -0.1012 0.1449 0.1168 + 606Ar Ar 606 3.088 0.202 0.153 -0.1114 0.3028 -0.2979 + 607Ar Ar 607 1.721 3.352 0.637 0.1305 -0.2454 -0.1486 + 608Ar Ar 608 0.684 1.143 1.641 -0.1442 -0.2159 -0.0002 + 609Ar Ar 609 2.140 0.365 2.139 -0.0693 -0.1696 -0.1326 + 610Ar Ar 610 0.056 3.351 3.281 -0.1897 0.1389 0.1844 + 611Ar Ar 611 1.205 0.590 2.367 -0.0025 0.1019 -0.0569 + 612Ar Ar 612 1.992 2.765 0.186 0.1753 0.1534 0.1465 + 613Ar Ar 613 0.947 1.127 2.158 0.0255 0.0401 -0.0558 + 614Ar Ar 614 2.461 0.897 2.815 -0.0640 -0.0136 -0.0568 + 615Ar Ar 615 0.826 2.160 0.363 -0.3683 -0.1551 0.0224 + 616Ar Ar 616 2.367 3.561 0.959 0.1554 -0.1362 0.1647 + 617Ar Ar 617 3.354 3.295 0.329 0.1785 -0.0971 -0.0522 + 618Ar Ar 618 2.815 1.876 1.528 -0.0518 -0.1360 0.0628 + 619Ar Ar 619 0.165 1.046 2.650 -0.2857 -0.0261 0.0021 + 620Ar Ar 620 2.989 1.164 3.322 0.0808 0.0365 0.1981 + 621Ar Ar 621 0.822 2.574 3.105 0.0247 -0.0812 0.0173 + 622Ar Ar 622 2.749 2.505 0.212 0.0020 0.0393 0.0867 + 623Ar Ar 623 0.345 3.082 1.086 -0.0583 0.0339 -0.0561 + 624Ar Ar 624 3.441 1.740 2.399 -0.0143 -0.1389 0.0457 + 625Ar Ar 625 2.475 1.789 0.439 0.0121 0.0125 0.0503 + 626Ar Ar 626 2.335 3.522 3.464 0.1167 0.0209 -0.0810 + 627Ar Ar 627 2.487 0.916 1.496 0.0527 -0.0885 0.2199 + 628Ar Ar 628 1.743 0.296 0.456 -0.1922 0.0844 0.0634 + 629Ar Ar 629 0.005 2.519 3.307 -0.2575 -0.0447 0.1158 + 630Ar Ar 630 3.188 2.974 2.849 -0.1264 -0.1071 0.0347 + 631Ar Ar 631 1.394 0.231 0.387 -0.0968 0.0425 0.0854 + 632Ar Ar 632 1.301 3.556 1.408 -0.0299 0.0545 -0.0377 + 633Ar Ar 633 0.720 0.156 0.169 0.0278 -0.0040 0.0686 + 634Ar Ar 634 0.926 3.010 0.576 0.0144 -0.0247 0.1032 + 635Ar Ar 635 1.244 1.157 0.870 -0.0171 0.0174 -0.0643 + 636Ar Ar 636 0.424 3.337 0.193 0.1679 -0.0351 0.0117 + 637Ar Ar 637 0.078 0.440 2.932 0.1625 0.0530 0.1973 + 638Ar Ar 638 3.314 2.857 0.157 0.0387 -0.0626 -0.0108 + 639Ar Ar 639 0.195 2.412 0.074 0.0590 0.1476 -0.1237 + 640Ar Ar 640 2.682 0.310 2.793 -0.0316 0.1236 0.0473 + 641Ar Ar 641 3.132 1.949 2.621 0.0732 -0.1801 0.0044 + 642Ar Ar 642 3.430 1.753 0.139 -0.2167 -0.1457 -0.0332 + 643Ar Ar 643 0.641 1.452 1.233 0.0966 -0.1333 -0.0490 + 644Ar Ar 644 1.101 2.672 0.516 0.1943 -0.1415 0.1726 + 645Ar Ar 645 2.190 1.854 1.714 -0.0914 -0.1526 0.2084 + 646Ar Ar 646 3.408 2.295 0.957 -0.2012 0.2018 0.0440 + 647Ar Ar 647 0.376 1.447 0.958 0.1770 -0.0420 0.0770 + 648Ar Ar 648 1.773 1.314 1.021 0.1243 -0.0808 -0.0005 + 649Ar Ar 649 0.145 2.707 1.837 0.1339 -0.0521 0.2234 + 650Ar Ar 650 2.913 2.147 1.807 -0.2605 0.0426 0.1360 + 651Ar Ar 651 0.561 1.558 3.091 0.0869 -0.0840 -0.0467 + 652Ar Ar 652 0.686 2.219 1.404 0.0634 -0.0711 0.0172 + 653Ar Ar 653 1.615 2.526 1.378 0.1922 -0.1558 0.2356 + 654Ar Ar 654 1.377 2.663 2.005 -0.0378 -0.0903 -0.0830 + 655Ar Ar 655 0.402 2.206 0.984 0.1508 0.0497 -0.0178 + 656Ar Ar 656 1.534 3.082 1.295 0.0909 -0.0083 0.0046 + 657Ar Ar 657 1.865 2.601 2.621 -0.0050 -0.0538 -0.0133 + 658Ar Ar 658 2.522 2.090 0.168 -0.2144 0.0004 -0.0564 + 659Ar Ar 659 3.229 0.557 1.658 -0.2528 0.1215 -0.1963 + 660Ar Ar 660 2.579 0.796 1.153 0.0201 0.3523 0.0126 + 661Ar Ar 661 1.186 0.323 2.603 -0.1150 0.1098 0.2157 + 662Ar Ar 662 2.868 2.481 0.652 -0.0283 0.1575 0.2301 + 663Ar Ar 663 3.012 0.211 1.250 -0.0441 -0.0313 -0.0893 + 664Ar Ar 664 1.261 2.713 1.288 -0.0805 0.0195 0.1646 + 665Ar Ar 665 0.083 1.501 2.140 0.0036 0.0035 -0.0807 + 666Ar Ar 666 1.562 3.008 1.877 0.1102 -0.0037 -0.2133 + 667Ar Ar 667 2.255 0.053 1.696 -0.1728 -0.3028 0.1451 + 668Ar Ar 668 2.368 0.505 2.782 -0.0945 0.1840 0.0752 + 669Ar Ar 669 1.945 0.833 3.533 -0.1160 -0.0966 -0.0346 + 670Ar Ar 670 1.046 0.981 1.479 -0.0887 0.0272 0.2899 + 671Ar Ar 671 0.129 2.451 1.574 0.0440 -0.0625 -0.1546 + 672Ar Ar 672 1.069 0.866 3.458 -0.1358 0.0706 0.1764 + 673Ar Ar 673 1.715 1.810 2.267 0.0823 -0.0411 -0.2159 + 674Ar Ar 674 3.512 3.441 0.012 -0.1935 0.0106 0.2390 + 675Ar Ar 675 0.900 1.663 1.341 0.2135 -0.1481 0.0810 + 676Ar Ar 676 3.387 1.503 0.774 -0.0788 0.1063 -0.0995 + 677Ar Ar 677 0.171 2.052 2.221 -0.1295 -0.0379 -0.0240 + 678Ar Ar 678 0.824 0.828 0.285 0.0445 -0.1148 -0.1770 + 679Ar Ar 679 2.188 0.703 1.395 -0.0571 -0.1598 0.0273 + 680Ar Ar 680 3.204 0.528 1.252 0.0577 -0.0386 -0.0675 + 681Ar Ar 681 1.887 0.265 0.148 0.1068 -0.0762 -0.0026 + 682Ar Ar 682 0.037 0.813 0.828 0.0144 -0.0585 -0.0010 + 683Ar Ar 683 1.482 2.084 1.880 -0.1816 0.0053 0.0074 + 684Ar Ar 684 0.823 2.799 1.798 0.2158 -0.0940 -0.1070 + 685Ar Ar 685 2.210 2.548 3.187 -0.0102 0.1032 0.0934 + 686Ar Ar 686 0.685 2.430 3.414 -0.0315 -0.1620 -0.0545 + 687Ar Ar 687 2.660 1.293 1.932 -0.0247 -0.1535 -0.2512 + 688Ar Ar 688 1.757 1.419 3.179 -0.1224 0.0564 0.2967 + 689Ar Ar 689 1.968 0.586 2.810 0.2334 -0.1166 -0.0010 + 690Ar Ar 690 2.190 0.978 3.284 0.0039 -0.1971 0.1939 + 691Ar Ar 691 1.048 1.453 0.314 0.0572 -0.2991 -0.0842 + 692Ar Ar 692 1.218 3.325 3.259 0.1026 0.0102 -0.0755 + 693Ar Ar 693 1.496 3.064 3.205 0.0436 -0.0679 0.1656 + 694Ar Ar 694 1.624 0.042 3.198 -0.2080 0.2062 0.0389 + 695Ar Ar 695 0.129 1.786 3.506 -0.1146 0.0654 -0.1249 + 696Ar Ar 696 1.322 0.672 1.332 -0.2014 0.0561 -0.1168 + 697Ar Ar 697 2.537 0.978 3.370 -0.0228 -0.1038 -0.1662 + 698Ar Ar 698 3.021 1.994 2.213 -0.2406 0.0007 -0.0053 + 699Ar Ar 699 3.018 0.399 3.255 0.0624 0.0635 0.1204 + 700Ar Ar 700 1.008 2.073 3.027 0.1173 -0.0474 0.0268 + 701Ar Ar 701 1.503 0.629 3.550 0.1092 -0.0383 0.0207 + 702Ar Ar 702 0.654 0.588 0.971 0.0115 -0.1731 0.0464 + 703Ar Ar 703 2.880 3.053 1.747 0.1263 0.1251 -0.0401 + 704Ar Ar 704 2.455 0.957 0.380 -0.0536 0.0223 0.2495 + 705Ar Ar 705 0.222 0.189 1.082 0.0051 -0.0977 -0.2539 + 706Ar Ar 706 0.913 0.881 1.843 -0.0384 0.0166 0.0784 + 707Ar Ar 707 0.913 0.638 0.664 0.1417 -0.0011 -0.0419 + 708Ar Ar 708 2.696 2.742 2.842 -0.1955 -0.2732 0.1289 + 709Ar Ar 709 2.010 2.888 3.136 0.0800 0.0251 -0.0149 + 710Ar Ar 710 0.907 0.586 2.777 0.1811 0.0943 -0.1557 + 711Ar Ar 711 2.816 0.378 2.160 -0.0021 -0.1702 -0.0557 + 712Ar Ar 712 3.326 0.813 0.536 0.0577 0.0179 -0.1414 + 713Ar Ar 713 3.431 3.598 1.686 -0.1418 0.1094 -0.0753 + 714Ar Ar 714 3.505 2.828 2.632 0.0640 -0.1049 0.2816 + 715Ar Ar 715 2.942 0.932 3.595 -0.0794 0.1637 0.2124 + 716Ar Ar 716 0.889 1.695 0.009 0.0634 0.0218 -0.1352 + 717Ar Ar 717 0.209 1.491 2.906 0.2385 0.1440 0.0581 + 718Ar Ar 718 0.553 0.805 0.558 -0.0807 -0.1584 -0.1322 + 719Ar Ar 719 0.406 2.455 2.722 -0.3597 0.1980 -0.0985 + 720Ar Ar 720 2.081 2.204 1.716 0.0575 -0.1385 -0.1177 + 721Ar Ar 721 3.198 2.728 0.605 -0.0814 0.2351 0.0960 + 722Ar Ar 722 1.531 0.991 1.083 -0.1716 -0.1725 -0.0854 + 723Ar Ar 723 0.704 0.008 0.802 -0.0347 -0.1388 0.0577 + 724Ar Ar 724 1.808 3.042 2.494 -0.1109 0.0337 -0.1434 + 725Ar Ar 725 0.379 1.125 0.729 -0.1568 -0.1500 -0.2149 + 726Ar Ar 726 0.072 0.143 2.338 -0.1541 0.1402 -0.0283 + 727Ar Ar 727 0.376 1.107 0.357 -0.1546 0.0264 -0.1042 + 728Ar Ar 728 1.169 1.710 3.054 0.0216 0.0305 -0.0643 + 729Ar Ar 729 0.520 1.108 1.309 -0.1048 -0.0419 -0.1430 + 730Ar Ar 730 3.136 1.249 0.660 0.1976 -0.1164 -0.0578 + 731Ar Ar 731 1.372 1.964 2.209 -0.2320 0.0573 0.2707 + 732Ar Ar 732 1.254 1.579 1.337 -0.1114 -0.0465 0.0026 + 733Ar Ar 733 2.322 3.358 2.186 0.0388 0.0930 0.0842 + 734Ar Ar 734 1.574 0.696 1.981 -0.2977 -0.1150 -0.0689 + 735Ar Ar 735 0.852 0.339 1.802 0.0670 -0.1608 -0.1534 + 736Ar Ar 736 2.811 3.049 2.988 -0.0281 -0.0919 0.1639 + 737Ar Ar 737 1.524 0.888 0.751 -0.1311 -0.0465 -0.1587 + 738Ar Ar 738 1.327 2.258 2.876 0.2628 0.0958 0.0804 + 739Ar Ar 739 0.305 2.572 2.098 -0.1098 -0.0127 -0.1152 + 740Ar Ar 740 1.525 0.424 3.264 -0.1290 -0.0601 -0.0036 + 741Ar Ar 741 1.317 0.086 1.854 -0.1259 -0.0515 0.0630 + 742Ar Ar 742 0.315 0.690 2.821 -0.0498 0.1257 -0.0099 + 743Ar Ar 743 0.045 0.126 0.626 0.0105 -0.0643 -0.1930 + 744Ar Ar 744 2.145 2.569 0.785 0.1368 0.1724 -0.1615 + 745Ar Ar 745 1.529 2.838 2.654 0.2144 0.1526 0.0100 + 746Ar Ar 746 0.251 2.706 2.494 -0.1426 -0.0933 0.0316 + 747Ar Ar 747 2.349 1.436 2.121 0.0060 -0.0956 0.0585 + 748Ar Ar 748 2.650 3.310 0.780 0.0860 0.0181 0.0339 + 749Ar Ar 749 2.785 3.017 2.590 0.0832 0.1572 0.1617 + 750Ar Ar 750 2.273 1.167 1.333 -0.0961 -0.0391 0.0069 + 751Ar Ar 751 2.963 0.373 1.569 -0.0620 -0.1326 -0.0572 + 752Ar Ar 752 3.119 3.557 1.493 0.1269 0.2021 0.0275 + 753Ar Ar 753 1.898 2.304 0.488 -0.1172 0.0739 -0.0538 + 754Ar Ar 754 1.693 2.867 3.445 -0.0844 0.1799 -0.0234 + 755Ar Ar 755 2.143 3.198 2.921 -0.0397 -0.0058 0.0695 + 756Ar Ar 756 1.752 1.069 3.236 0.0515 -0.0420 -0.0869 + 757Ar Ar 757 1.768 1.976 1.703 -0.1168 0.0152 -0.0351 + 758Ar Ar 758 1.033 1.949 2.030 0.0345 0.1328 0.1320 + 759Ar Ar 759 0.700 2.042 1.080 0.0351 0.0898 -0.2362 + 760Ar Ar 760 1.340 3.511 0.109 -0.0427 0.2273 -0.0089 + 761Ar Ar 761 0.003 2.959 3.311 0.1013 0.0981 0.1345 + 762Ar Ar 762 2.917 1.679 0.356 0.0212 0.2331 0.0963 + 763Ar Ar 763 0.158 3.535 0.300 0.1580 -0.2658 -0.0781 + 764Ar Ar 764 2.439 2.096 1.471 0.0008 -0.1276 0.1372 + 765Ar Ar 765 3.079 3.497 0.472 -0.1206 -0.2286 -0.0417 + 766Ar Ar 766 0.348 1.853 1.060 -0.2468 -0.1542 -0.0677 + 767Ar Ar 767 2.214 0.715 2.172 -0.1165 -0.0728 -0.0359 + 768Ar Ar 768 0.542 0.985 2.846 -0.0339 0.0871 0.0224 + 769Ar Ar 769 0.931 0.538 2.095 0.0143 0.1149 0.0413 + 770Ar Ar 770 0.094 2.907 2.927 0.0009 -0.0843 0.3213 + 771Ar Ar 771 2.392 2.546 1.173 0.1445 0.0549 0.1962 + 772Ar Ar 772 0.312 2.053 0.032 -0.0629 -0.0619 0.1098 + 773Ar Ar 773 3.280 3.408 3.325 -0.1786 -0.0353 -0.1196 + 774Ar Ar 774 2.754 0.364 0.305 0.1538 -0.0375 0.0736 + 775Ar Ar 775 3.593 1.631 3.163 -0.0899 -0.1617 0.1913 + 776Ar Ar 776 3.307 1.827 3.016 -0.1709 -0.0866 0.0079 + 777Ar Ar 777 1.256 1.418 3.343 0.0275 0.1181 0.2057 + 778Ar Ar 778 0.415 2.279 2.378 -0.0651 0.0451 -0.0344 + 779Ar Ar 779 3.104 1.881 0.042 0.0561 0.0507 0.2299 + 780Ar Ar 780 3.207 2.135 1.541 -0.0154 -0.1601 -0.2287 + 781Ar Ar 781 0.332 2.096 1.378 0.0540 0.0821 -0.1249 + 782Ar Ar 782 0.992 3.451 0.646 -0.0648 -0.0740 -0.0495 + 783Ar Ar 783 1.145 2.187 2.464 -0.0754 -0.3076 -0.1570 + 784Ar Ar 784 3.137 2.542 0.281 0.1206 0.0778 0.0292 + 785Ar Ar 785 3.210 1.503 1.163 -0.1581 0.1226 -0.1647 + 786Ar Ar 786 0.328 0.325 0.163 -0.1639 0.0882 -0.2136 + 787Ar Ar 787 0.348 3.393 1.934 -0.2116 0.0269 0.1725 + 788Ar Ar 788 1.371 3.480 2.229 -0.0495 0.0837 -0.2234 + 789Ar Ar 789 3.159 0.841 1.419 0.0062 -0.2725 -0.0925 + 790Ar Ar 790 0.544 0.362 2.715 -0.0238 -0.0591 -0.0562 + 791Ar Ar 791 2.033 2.014 2.388 0.0169 -0.1988 -0.0765 + 792Ar Ar 792 1.658 1.957 0.867 0.1161 -0.1513 -0.0711 + 793Ar Ar 793 0.360 0.497 1.886 -0.0022 -0.1856 -0.1382 + 794Ar Ar 794 1.221 0.807 2.065 0.0075 0.1680 -0.1272 + 795Ar Ar 795 3.469 2.681 2.274 -0.3339 -0.0160 0.1132 + 796Ar Ar 796 1.232 3.261 1.166 0.0375 0.2112 0.0317 + 797Ar Ar 797 2.784 3.257 0.050 0.0074 -0.0774 -0.0352 + 798Ar Ar 798 1.799 0.292 2.202 0.2735 0.0310 -0.0699 + 799Ar Ar 799 2.643 3.426 3.328 0.0074 -0.0376 -0.2039 + 800Ar Ar 800 2.711 2.071 1.140 -0.1030 -0.0704 -0.0657 + 801Ar Ar 801 1.997 3.454 2.048 0.0761 0.0860 -0.0660 + 802Ar Ar 802 2.739 3.293 1.990 0.1295 0.0402 0.0369 + 803Ar Ar 803 3.268 0.093 2.574 -0.0548 0.0233 -0.0424 + 804Ar Ar 804 0.942 1.602 1.730 -0.0544 -0.2283 -0.0502 + 805Ar Ar 805 2.544 2.087 0.843 -0.0772 -0.1181 -0.1320 + 806Ar Ar 806 1.024 3.196 2.901 -0.0895 -0.1447 0.1254 + 807Ar Ar 807 1.315 1.123 3.483 -0.0957 0.1588 -0.2431 + 808Ar Ar 808 1.182 0.195 0.674 0.1896 -0.0546 0.0171 + 809Ar Ar 809 3.585 3.113 1.198 0.1177 -0.0791 0.0775 + 810Ar Ar 810 0.216 2.141 0.679 -0.0123 0.0738 -0.0552 + 811Ar Ar 811 2.223 0.567 0.744 -0.0295 -0.1170 -0.0666 + 812Ar Ar 812 3.596 3.246 2.017 -0.0209 0.1081 -0.0811 + 813Ar Ar 813 0.973 1.322 1.422 0.1692 -0.1527 0.0858 + 814Ar Ar 814 0.542 0.146 1.872 0.0166 0.0722 0.0178 + 815Ar Ar 815 0.998 1.198 1.783 0.0034 -0.1614 0.0616 + 816Ar Ar 816 1.027 3.092 3.503 -0.1781 0.0839 -0.3085 + 817Ar Ar 817 1.023 1.669 2.675 0.1052 0.0727 0.0758 + 818Ar Ar 818 3.134 2.425 1.778 0.0106 0.0993 -0.1857 + 819Ar Ar 819 1.253 2.549 0.181 -0.2025 0.0485 0.0330 + 820Ar Ar 820 3.039 0.869 0.753 0.1975 0.0885 -0.1192 + 821Ar Ar 821 0.001 1.581 0.481 0.0024 0.0438 0.0010 + 822Ar Ar 822 3.013 0.960 2.812 -0.0009 0.0473 -0.1055 + 823Ar Ar 823 2.626 1.705 2.259 0.1869 -0.0234 -0.3153 + 824Ar Ar 824 1.068 0.438 1.188 -0.0086 -0.3263 -0.0537 + 825Ar Ar 825 1.444 0.529 0.278 0.1282 0.0698 -0.0428 + 826Ar Ar 826 1.746 3.394 2.721 0.0805 0.1950 0.0786 + 827Ar Ar 827 0.638 3.231 1.250 -0.0245 -0.1304 -0.1076 + 828Ar Ar 828 2.518 2.354 1.873 0.1619 -0.1863 -0.1256 + 829Ar Ar 829 3.476 1.971 0.681 0.1167 -0.0205 0.0351 + 830Ar Ar 830 1.809 0.676 3.221 0.0502 -0.1896 -0.1871 + 831Ar Ar 831 2.657 0.559 3.451 -0.0701 -0.0277 -0.0929 + 832Ar Ar 832 3.523 1.953 1.593 -0.1895 0.0767 -0.0041 + 833Ar Ar 833 0.828 0.585 3.324 -0.1110 0.0221 0.0576 + 834Ar Ar 834 0.842 3.276 3.223 0.0037 -0.0796 -0.1694 + 835Ar Ar 835 2.142 2.911 1.703 0.0508 -0.0716 -0.1070 + 836Ar Ar 836 3.046 2.814 2.059 0.0876 -0.0776 0.0943 + 837Ar Ar 837 1.804 2.510 2.249 -0.0267 0.0114 -0.0095 + 838Ar Ar 838 0.973 0.905 2.931 0.3342 0.0120 -0.0083 + 839Ar Ar 839 3.350 2.468 2.534 0.1468 -0.0311 0.2701 + 840Ar Ar 840 0.339 1.468 2.379 -0.1891 -0.1110 0.0327 + 841Ar Ar 841 1.820 2.572 3.330 0.0526 -0.1254 0.1680 + 842Ar Ar 842 3.026 2.815 1.237 -0.0921 -0.0558 -0.2009 + 843Ar Ar 843 2.118 1.200 1.024 -0.0456 0.2154 -0.1343 + 844Ar Ar 844 0.344 2.695 3.404 -0.1464 0.0373 -0.0754 + 845Ar Ar 845 1.680 1.025 1.468 -0.0696 -0.2153 -0.0406 + 846Ar Ar 846 1.572 1.996 2.916 0.1122 0.1136 -0.0943 + 847Ar Ar 847 1.938 2.061 0.254 -0.1958 -0.2293 0.2422 + 848Ar Ar 848 1.101 2.286 0.519 -0.0030 -0.0196 0.0964 + 849Ar Ar 849 3.173 3.323 1.918 0.0947 0.0245 0.1410 + 850Ar Ar 850 0.457 1.684 0.032 -0.2109 -0.0035 0.2280 + 851Ar Ar 851 1.337 2.822 3.491 0.1405 -0.0655 0.0497 + 852Ar Ar 852 0.768 3.111 2.634 -0.0004 0.0550 -0.2101 + 853Ar Ar 853 0.513 2.734 0.727 0.1150 0.1202 -0.1628 + 854Ar Ar 854 1.363 3.510 2.657 0.0548 -0.1285 -0.0608 + 855Ar Ar 855 3.176 1.682 2.134 -0.0087 0.0631 0.2082 + 856Ar Ar 856 1.667 3.554 0.331 0.0546 0.2632 -0.0993 + 857Ar Ar 857 0.583 2.494 1.612 0.0257 0.1296 0.0114 + 858Ar Ar 858 1.230 1.035 2.371 -0.1764 0.0149 0.0232 + 859Ar Ar 859 2.821 0.737 1.520 -0.0879 0.3802 0.2197 + 860Ar Ar 860 1.128 2.975 3.186 0.0623 0.2054 0.2338 + 861Ar Ar 861 1.616 0.853 0.370 -0.0527 0.0987 -0.0796 + 862Ar Ar 862 2.544 2.458 1.529 0.2075 -0.0330 0.0454 + 863Ar Ar 863 1.536 0.224 3.588 0.1138 0.1081 0.0900 + 864Ar Ar 864 1.167 2.185 1.702 0.1356 -0.1952 0.1597 + 865Ar Ar 865 1.107 1.552 1.040 0.0961 0.0132 0.1189 + 866Ar Ar 866 3.376 0.046 0.380 -0.1004 0.0196 -0.0520 + 867Ar Ar 867 2.658 0.224 0.989 -0.0813 -0.0154 0.1481 + 868Ar Ar 868 2.397 2.675 0.204 0.0103 0.1059 0.1273 + 869Ar Ar 869 2.274 1.336 0.281 0.0346 -0.0022 0.2317 + 870Ar Ar 870 0.523 3.328 1.612 0.0216 0.0311 0.0723 + 871Ar Ar 871 2.052 1.522 0.866 -0.0660 -0.2603 -0.0395 + 872Ar Ar 872 3.086 2.771 1.665 0.1152 0.1867 -0.0379 + 873Ar Ar 873 1.653 1.870 0.310 -0.1535 0.0131 -0.0750 + 874Ar Ar 874 2.663 1.370 0.748 0.2378 -0.0703 0.0666 + 875Ar Ar 875 2.776 3.576 0.274 -0.1587 0.1086 -0.1960 + 876Ar Ar 876 2.141 0.040 0.322 -0.0204 0.0481 0.2355 + 877Ar Ar 877 0.644 2.482 0.960 -0.0471 0.0028 0.1750 + 878Ar Ar 878 2.972 2.018 0.896 -0.0221 -0.2149 -0.1350 + 879Ar Ar 879 3.014 1.547 3.227 0.0657 0.1159 -0.0304 + 880Ar Ar 880 1.531 0.278 1.291 -0.0922 0.1026 0.0139 + 881Ar Ar 881 1.612 1.291 3.474 -0.2222 -0.2312 0.0163 + 882Ar Ar 882 1.405 1.735 2.496 -0.0375 0.0850 -0.0871 + 883Ar Ar 883 3.485 1.304 1.141 0.0159 0.0237 0.0889 + 884Ar Ar 884 2.491 3.430 1.782 0.0448 -0.0682 0.0098 + 885Ar Ar 885 1.650 1.355 1.742 -0.1421 0.0560 -0.0103 + 886Ar Ar 886 2.303 3.389 2.692 0.1171 -0.2385 0.0446 + 887Ar Ar 887 0.178 0.735 3.559 -0.0434 0.0956 -0.0692 + 888Ar Ar 888 1.565 1.430 1.396 0.2490 0.0666 0.2499 + 889Ar Ar 889 1.793 0.277 2.970 0.0034 -0.1643 -0.2674 + 890Ar Ar 890 0.276 2.484 0.785 0.0090 0.1039 -0.1112 + 891Ar Ar 891 1.026 3.331 2.181 0.2776 0.0004 0.1458 + 892Ar Ar 892 3.000 1.517 1.822 -0.0343 0.1137 0.0166 + 893Ar Ar 893 2.143 1.281 2.741 -0.0925 0.1053 -0.0706 + 894Ar Ar 894 1.274 2.639 2.874 -0.2241 0.2366 0.0484 + 895Ar Ar 895 2.114 1.029 1.628 -0.0835 0.0047 -0.0508 + 896Ar Ar 896 2.648 1.557 1.665 0.0633 -0.0669 -0.0404 + 897Ar Ar 897 1.621 2.411 1.987 0.0516 0.1407 -0.1224 + 898Ar Ar 898 0.618 0.924 0.948 0.0638 0.0695 -0.0045 + 899Ar Ar 899 3.067 1.636 0.699 -0.1160 -0.0753 -0.0084 + 900Ar Ar 900 2.442 2.746 3.410 0.0817 0.0669 0.1820 + 901Ar Ar 901 0.902 0.208 2.734 -0.1937 0.1189 -0.1744 + 902Ar Ar 902 3.532 3.385 0.615 -0.0871 0.1084 -0.1169 + 903Ar Ar 903 2.480 1.637 3.301 -0.1375 0.0329 0.1160 + 904Ar Ar 904 0.127 1.764 2.576 0.0003 -0.0322 0.1022 + 905Ar Ar 905 0.939 2.448 1.533 0.0148 0.0564 0.0287 + 906Ar Ar 906 0.324 3.464 0.629 0.0285 -0.0733 -0.2002 + 907Ar Ar 907 3.216 0.678 2.948 0.0225 0.1648 -0.0728 + 908Ar Ar 908 2.127 0.744 0.288 0.1519 0.0727 0.0527 + 909Ar Ar 909 1.818 0.673 1.340 0.0456 -0.0783 0.1596 + 910Ar Ar 910 0.640 1.453 1.882 0.0654 0.2059 -0.1179 + 911Ar Ar 911 0.857 2.759 0.800 0.2910 0.1092 -0.0325 + 912Ar Ar 912 0.451 1.429 1.570 -0.2573 0.1295 -0.2629 + 913Ar Ar 913 2.356 1.440 1.071 -0.2070 0.1100 -0.0024 + 914Ar Ar 914 2.211 0.447 1.683 -0.0892 -0.1335 0.0265 + 915Ar Ar 915 3.254 0.921 2.187 -0.0483 -0.1677 -0.1359 + 916Ar Ar 916 3.419 3.250 2.901 0.1659 0.1262 0.1239 + 917Ar Ar 917 3.125 0.327 2.347 -0.0289 0.0848 0.0672 + 918Ar Ar 918 1.273 1.854 1.654 0.0467 0.0778 -0.0580 + 919Ar Ar 919 1.833 1.938 3.307 -0.2038 0.3031 -0.1141 + 920Ar Ar 920 0.086 2.371 2.439 -0.0964 -0.2441 -0.0003 + 921Ar Ar 921 2.836 3.292 1.428 -0.1757 0.2521 -0.0425 + 922Ar Ar 922 2.661 2.579 3.182 0.0464 -0.1396 0.2033 + 923Ar Ar 923 0.585 3.108 1.907 0.0616 0.1896 -0.1359 + 924Ar Ar 924 2.618 0.855 1.832 0.1663 -0.2766 0.0188 + 925Ar Ar 925 0.289 3.400 1.304 0.0451 0.2144 -0.0753 + 926Ar Ar 926 3.020 2.289 2.436 -0.2076 0.1168 -0.3590 + 927Ar Ar 927 0.250 2.287 3.015 0.0719 -0.0416 0.0199 + 928Ar Ar 928 2.182 1.850 2.702 -0.0558 0.1966 -0.0381 + 929Ar Ar 929 3.111 0.545 3.587 0.0514 0.0049 0.1131 + 930Ar Ar 930 2.243 1.917 3.145 -0.0467 0.0025 -0.2393 + 931Ar Ar 931 0.412 2.141 0.352 0.1826 0.2303 0.0675 + 932Ar Ar 932 2.167 0.328 1.064 0.0425 -0.1260 0.0566 + 933Ar Ar 933 1.064 1.145 3.154 -0.1754 -0.1575 0.0005 + 934Ar Ar 934 1.398 1.812 1.132 -0.0431 0.2785 -0.1231 + 935Ar Ar 935 0.148 1.734 1.408 -0.1204 0.0778 -0.0054 + 936Ar Ar 936 2.720 2.443 2.588 0.1458 0.1532 0.0454 + 937Ar Ar 937 0.889 3.361 1.022 -0.0525 0.2499 -0.0473 + 938Ar Ar 938 0.138 2.800 1.368 -0.0106 0.1198 -0.0605 + 939Ar Ar 939 0.828 3.451 2.760 0.0355 0.0125 -0.0456 + 940Ar Ar 940 0.237 1.910 1.778 0.0886 -0.0385 0.1529 + 941Ar Ar 941 2.202 2.275 0.139 0.2975 0.1229 0.2426 + 942Ar Ar 942 3.358 1.363 3.323 -0.0557 -0.2460 -0.0916 + 943Ar Ar 943 2.531 0.441 2.446 0.0348 0.0671 0.0290 + 944Ar Ar 944 3.224 1.378 2.605 0.1555 0.0904 -0.2229 + 945Ar Ar 945 1.143 2.417 3.133 0.2032 0.1436 -0.0900 + 946Ar Ar 946 2.945 3.244 3.306 -0.0008 -0.2508 -0.0405 + 947Ar Ar 947 2.725 1.012 3.050 0.2708 -0.0066 -0.0968 + 948Ar Ar 948 1.316 1.584 0.534 -0.1494 -0.0267 -0.0801 + 949Ar Ar 949 2.223 0.872 0.989 -0.0692 -0.0239 0.0736 + 950Ar Ar 950 3.580 2.322 2.104 -0.0447 -0.2254 -0.1249 + 951Ar Ar 951 2.970 1.298 0.220 0.0260 0.0165 -0.0753 + 952Ar Ar 952 0.209 1.712 0.746 0.0832 -0.1868 -0.0264 + 953Ar Ar 953 0.739 1.183 0.520 0.0406 0.1101 -0.2087 + 954Ar Ar 954 1.197 2.779 1.649 0.0036 0.0809 -0.1703 + 955Ar Ar 955 2.540 3.071 1.662 -0.1045 -0.0663 0.0627 + 956Ar Ar 956 2.780 0.035 0.684 0.0829 0.0644 0.3279 + 957Ar Ar 957 0.730 1.727 2.181 0.0888 -0.0917 -0.0653 + 958Ar Ar 958 1.069 2.522 1.861 0.1189 -0.0048 0.1411 + 959Ar Ar 959 1.747 3.244 0.965 -0.0744 -0.0684 0.1353 + 960Ar Ar 960 3.230 2.078 1.936 0.0351 0.1200 -0.0222 + 961Ar Ar 961 2.003 1.614 2.477 0.1000 0.1123 0.1741 + 962Ar Ar 962 0.725 2.948 3.045 -0.0162 -0.1378 -0.0204 + 963Ar Ar 963 1.307 0.056 3.381 -0.0369 0.0704 0.0652 + 964Ar Ar 964 2.746 3.600 2.948 -0.0856 0.0459 0.0275 + 965Ar Ar 965 1.649 3.566 1.960 0.0268 -0.0338 0.0777 + 966Ar Ar 966 3.036 0.475 2.628 -0.0416 0.0906 0.1332 + 967Ar Ar 967 2.461 3.129 3.491 0.1929 0.1475 -0.0231 + 968Ar Ar 968 1.276 0.849 0.177 -0.0808 -0.1053 0.2591 + 969Ar Ar 969 0.011 0.163 3.221 0.0181 -0.1351 -0.1884 + 970Ar Ar 970 0.909 1.185 1.105 0.0733 0.1680 0.1585 + 971Ar Ar 971 2.740 1.471 3.544 0.0947 -0.0557 0.0803 + 972Ar Ar 972 1.832 2.430 0.179 0.1039 0.2093 -0.2418 + 973Ar Ar 973 2.858 0.577 1.866 0.1753 -0.0378 0.1794 + 974Ar Ar 974 1.336 1.499 1.685 0.0315 0.1177 0.2803 + 975Ar Ar 975 0.741 3.432 1.924 -0.0264 0.0605 -0.0275 + 976Ar Ar 976 1.647 2.360 2.993 -0.1495 -0.0460 -0.1210 + 977Ar Ar 977 0.132 3.105 3.595 0.1107 0.0282 0.0198 + 978Ar Ar 978 3.017 3.480 0.936 -0.0626 0.0115 0.1220 + 979Ar Ar 979 1.823 0.303 2.602 0.1145 0.1224 0.0455 + 980Ar Ar 980 3.331 2.870 1.419 -0.2419 0.1151 0.1724 + 981Ar Ar 981 2.364 1.600 2.927 -0.2995 0.1130 0.2410 + 982Ar Ar 982 0.757 1.668 0.960 -0.0118 0.1088 -0.2705 + 983Ar Ar 983 0.751 3.097 0.268 -0.1649 -0.0981 0.0202 + 984Ar Ar 984 3.102 2.142 1.195 0.0585 -0.1129 0.0536 + 985Ar Ar 985 0.729 2.393 2.536 -0.3194 -0.1410 -0.0027 + 986Ar Ar 986 3.170 1.201 1.964 -0.1269 0.0500 -0.3316 + 987Ar Ar 987 0.601 1.383 3.426 -0.0711 -0.1005 0.0748 + 988Ar Ar 988 0.244 0.768 1.339 0.1474 0.2263 -0.0645 + 989Ar Ar 989 2.412 2.102 2.416 -0.0736 0.0122 0.0855 + 990Ar Ar 990 3.521 1.211 2.001 0.1438 0.1760 -0.1221 + 991Ar Ar 991 3.367 2.632 1.926 -0.0611 -0.1047 -0.1253 + 992Ar Ar 992 1.961 0.195 1.913 -0.2284 -0.0001 0.2899 + 993Ar Ar 993 2.729 0.023 1.455 0.0735 0.1725 0.0677 + 994Ar Ar 994 0.184 1.165 2.311 0.0376 -0.0739 0.1678 + 995Ar Ar 995 2.924 1.626 2.536 0.1429 -0.0081 -0.0398 + 996Ar Ar 996 0.540 2.149 2.810 -0.0640 -0.1229 -0.0654 + 997Ar Ar 997 1.627 0.952 3.584 0.0981 -0.0759 -0.0519 + 998Ar Ar 998 0.139 2.797 0.613 -0.0749 -0.0228 0.0153 + 999Ar Ar 999 3.211 0.557 2.078 0.0532 0.0575 0.2022 + 1000Ar Ar 1000 1.966 2.590 1.117 -0.0391 0.1971 0.1642 + 3.60140 3.60140 3.60140 diff --git a/data/argon_1000/conf.gro b/data/argon_1000/conf.gro new file mode 100644 index 0000000..054ef29 --- /dev/null +++ b/data/argon_1000/conf.gro @@ -0,0 +1,1003 @@ +Liquid Argon + 1000 + 1Ar Ar 1 2.643 0.945 3.528 -0.1635 -0.0062 -0.0483 + 2Ar Ar 2 0.904 2.387 3.210 0.1893 0.0664 0.0832 + 3Ar Ar 3 1.136 0.354 3.009 0.0485 -0.1643 0.3876 + 4Ar Ar 4 2.798 0.262 2.617 0.0258 0.0161 0.0341 + 5Ar Ar 5 2.741 1.035 0.670 0.1728 0.0877 -0.0341 + 6Ar Ar 6 2.816 2.601 3.046 -0.2281 0.0307 0.0217 + 7Ar Ar 7 1.375 2.931 0.150 0.0173 0.0371 0.1285 + 8Ar Ar 8 2.114 1.685 3.208 -0.0662 -0.1515 -0.0492 + 9Ar Ar 9 2.508 2.941 2.312 -0.2971 -0.1130 0.0978 + 10Ar Ar 10 1.023 1.020 1.044 0.0714 -0.0446 -0.1550 + 11Ar Ar 11 1.890 3.595 1.172 -0.0345 0.2377 -0.1878 + 12Ar Ar 12 0.292 1.321 1.392 -0.1113 -0.1614 0.1354 + 13Ar Ar 13 0.087 1.553 0.107 -0.1203 -0.0236 -0.1506 + 14Ar Ar 14 1.822 1.358 0.600 0.2116 -0.1829 0.0251 + 15Ar Ar 15 3.364 0.551 2.865 -0.2777 -0.1116 -0.1026 + 16Ar Ar 16 0.132 2.453 2.923 -0.1043 -0.0981 0.0421 + 17Ar Ar 17 2.998 0.222 0.217 -0.1587 0.1117 -0.0300 + 18Ar Ar 18 2.562 1.662 1.541 -0.0839 -0.1842 0.0086 + 19Ar Ar 19 0.256 1.506 0.440 -0.0147 0.2258 0.0228 + 20Ar Ar 20 1.988 1.628 3.540 0.0113 -0.0663 -0.1179 + 21Ar Ar 21 1.580 1.162 0.196 0.2528 0.1021 0.0071 + 22Ar Ar 22 1.379 1.803 0.114 -0.1124 0.0853 -0.0756 + 23Ar Ar 23 1.411 1.538 0.389 0.0368 -0.0403 -0.0054 + 24Ar Ar 24 3.021 0.926 0.314 -0.3373 -0.2237 -0.0127 + 25Ar Ar 25 2.018 0.622 3.165 -0.0537 0.0082 0.0289 + 26Ar Ar 26 1.061 1.808 2.436 -0.1453 0.1953 0.0003 + 27Ar Ar 27 2.433 2.798 1.306 0.0444 -0.0676 0.0007 + 28Ar Ar 28 2.612 0.410 0.352 0.1576 0.1402 0.2984 + 29Ar Ar 29 2.183 1.659 2.824 -0.0294 0.0924 -0.1010 + 30Ar Ar 30 2.224 0.230 1.473 0.0139 0.1774 0.1402 + 31Ar Ar 31 2.003 2.637 0.869 0.1727 0.0561 0.0066 + 32Ar Ar 32 1.682 3.425 0.934 0.0689 0.1758 -0.1674 + 33Ar Ar 33 1.948 3.141 2.461 0.2395 0.0439 -0.0162 + 34Ar Ar 34 3.483 2.147 3.144 -0.3178 -0.0410 0.2106 + 35Ar Ar 35 2.253 2.421 1.895 0.0048 0.0133 0.0083 + 36Ar Ar 36 0.513 1.351 0.224 -0.0183 0.0649 -0.1996 + 37Ar Ar 37 1.452 0.445 2.167 0.1629 0.1377 -0.0766 + 38Ar Ar 38 2.506 1.851 2.261 0.1072 -0.1108 0.0520 + 39Ar Ar 39 1.767 1.705 2.692 -0.1004 0.2971 -0.0693 + 40Ar Ar 40 1.965 3.227 1.101 0.0131 -0.1148 -0.1989 + 41Ar Ar 41 2.319 2.674 0.748 -0.0303 0.1869 0.0226 + 42Ar Ar 42 1.923 1.331 0.236 -0.0812 0.0816 -0.1456 + 43Ar Ar 43 3.305 2.171 2.523 0.0746 -0.0661 -0.0160 + 44Ar Ar 44 0.054 0.784 1.200 -0.0171 0.0067 -0.1811 + 45Ar Ar 45 0.370 3.258 2.757 0.0312 -0.0280 0.1108 + 46Ar Ar 46 1.447 2.546 2.839 -0.1634 0.1590 -0.1180 + 47Ar Ar 47 2.773 0.611 2.006 -0.0527 0.0915 0.2637 + 48Ar Ar 48 3.389 1.631 2.189 0.0876 0.1881 0.2568 + 49Ar Ar 49 0.883 3.225 2.723 -0.1892 0.0955 -0.0424 + 50Ar Ar 50 1.833 2.959 0.775 0.1255 -0.0849 -0.1628 + 51Ar Ar 51 0.888 0.766 3.575 -0.3892 -0.1300 -0.1792 + 52Ar Ar 52 1.180 1.424 0.627 -0.1854 0.1243 0.0051 + 53Ar Ar 53 2.640 0.191 0.874 -0.0830 0.1007 0.0565 + 54Ar Ar 54 1.840 2.725 3.353 0.0667 0.1839 0.1402 + 55Ar Ar 55 2.555 2.374 0.944 -0.1787 -0.1169 0.1462 + 56Ar Ar 56 2.155 0.737 1.110 -0.1838 0.0868 0.0414 + 57Ar Ar 57 1.085 1.283 1.939 -0.0587 0.1836 0.1236 + 58Ar Ar 58 1.578 2.014 3.503 -0.1434 0.0382 -0.1981 + 59Ar Ar 59 2.270 3.467 1.989 -0.0951 0.1557 -0.0441 + 60Ar Ar 60 2.959 0.810 2.952 -0.1856 0.1201 0.1241 + 61Ar Ar 61 3.091 0.870 1.973 0.1031 -0.1916 -0.0968 + 62Ar Ar 62 0.524 2.890 3.454 -0.1463 0.0934 -0.0849 + 63Ar Ar 63 1.042 1.896 1.831 -0.0381 0.0876 -0.0397 + 64Ar Ar 64 0.719 2.061 0.504 0.3259 -0.1794 -0.2534 + 65Ar Ar 65 0.631 3.283 0.855 -0.1281 -0.0659 0.0862 + 66Ar Ar 66 0.826 1.594 1.299 0.0374 0.0513 0.0896 + 67Ar Ar 67 1.615 1.695 0.651 0.0467 0.0914 -0.2486 + 68Ar Ar 68 3.418 2.638 0.572 0.1301 0.0720 0.2215 + 69Ar Ar 69 1.596 0.541 1.882 0.0106 -0.3489 -0.1041 + 70Ar Ar 70 3.391 3.381 2.264 0.2233 0.1381 0.1589 + 71Ar Ar 71 2.176 0.189 3.151 -0.0004 0.0434 0.1438 + 72Ar Ar 72 2.717 1.738 0.410 -0.1021 -0.0736 -0.1275 + 73Ar Ar 73 2.119 0.701 0.418 -0.0523 0.0657 0.0880 + 74Ar Ar 74 3.443 0.635 2.369 0.0526 0.0292 0.0399 + 75Ar Ar 75 1.798 3.237 1.558 -0.0911 0.0870 0.1432 + 76Ar Ar 76 3.255 0.501 1.732 -0.0358 -0.1277 0.1479 + 77Ar Ar 77 2.635 0.845 1.210 0.1917 -0.0979 0.2055 + 78Ar Ar 78 0.197 3.095 3.453 0.0220 -0.0863 -0.1070 + 79Ar Ar 79 1.313 0.368 0.429 -0.0200 -0.0038 -0.0649 + 80Ar Ar 80 3.069 2.429 2.748 0.0708 -0.0441 -0.2201 + 81Ar Ar 81 2.891 1.375 1.658 -0.1429 -0.0256 -0.0684 + 82Ar Ar 82 2.839 1.031 1.690 -0.0962 0.0576 -0.1222 + 83Ar Ar 83 0.143 1.046 2.425 -0.0315 0.0967 0.0858 + 84Ar Ar 84 0.897 0.229 2.146 0.2571 -0.0979 -0.0861 + 85Ar Ar 85 0.549 1.093 2.747 -0.1362 -0.1657 -0.0284 + 86Ar Ar 86 2.547 3.192 3.290 0.0242 0.1894 -0.2615 + 87Ar Ar 87 2.623 2.527 0.581 0.0785 0.2117 -0.1604 + 88Ar Ar 88 3.326 3.572 1.946 -0.0637 0.1512 0.0632 + 89Ar Ar 89 2.139 1.165 0.498 0.1044 0.1004 -0.0490 + 90Ar Ar 90 1.359 2.771 0.466 -0.0315 -0.0981 0.1014 + 91Ar Ar 91 1.827 1.504 3.034 0.0180 0.2472 0.1114 + 92Ar Ar 92 1.380 0.731 0.400 0.2507 -0.0100 0.1457 + 93Ar Ar 93 1.642 0.845 0.043 0.1716 0.2583 -0.1539 + 94Ar Ar 94 0.169 0.068 0.961 -0.1314 -0.1958 0.0451 + 95Ar Ar 95 1.439 3.305 0.279 0.0599 -0.0147 0.0103 + 96Ar Ar 96 1.455 3.544 2.502 0.0954 -0.0378 -0.1438 + 97Ar Ar 97 0.756 1.688 3.300 0.0498 0.1538 0.2583 + 98Ar Ar 98 1.220 2.736 3.078 0.0020 0.0510 -0.0180 + 99Ar Ar 99 1.089 0.129 0.758 -0.1802 0.1318 0.0681 + 100Ar Ar 100 3.188 2.921 0.599 0.1686 0.0707 0.1387 + 101Ar Ar 101 0.299 0.253 0.639 -0.0515 0.0967 0.0404 + 102Ar Ar 102 2.310 2.208 1.314 -0.0053 0.1146 0.0465 + 103Ar Ar 103 2.710 1.085 0.272 -0.1235 0.2264 0.0798 + 104Ar Ar 104 2.286 2.282 0.311 -0.0633 0.1277 -0.0853 + 105Ar Ar 105 2.469 0.634 0.669 0.1863 0.0085 0.1480 + 106Ar Ar 106 0.068 2.622 2.602 0.0377 0.1806 -0.3252 + 107Ar Ar 107 1.623 0.217 3.532 0.0405 0.0474 0.0677 + 108Ar Ar 108 2.277 2.981 3.347 -0.0559 -0.0644 0.0078 + 109Ar Ar 109 1.151 3.398 2.385 0.2052 -0.0199 -0.0492 + 110Ar Ar 110 2.633 1.394 0.364 -0.0503 -0.0976 -0.0074 + 111Ar Ar 111 1.443 2.135 0.798 0.0741 -0.0812 0.2035 + 112Ar Ar 112 0.485 1.947 2.969 0.0971 -0.2107 0.0539 + 113Ar Ar 113 1.771 1.882 0.138 0.1957 -0.2124 -0.1575 + 114Ar Ar 114 2.286 0.983 3.006 0.2510 0.0155 0.0805 + 115Ar Ar 115 3.039 3.461 0.297 -0.0283 0.0043 0.0321 + 116Ar Ar 116 0.661 2.160 1.515 0.1515 -0.1551 -0.0447 + 117Ar Ar 117 0.659 2.792 1.800 -0.1799 -0.0437 -0.0742 + 118Ar Ar 118 1.313 1.194 1.642 -0.1280 -0.0655 0.1430 + 119Ar Ar 119 2.600 1.605 1.009 0.0808 0.1446 0.1384 + 120Ar Ar 120 0.549 2.287 2.666 0.0824 0.0535 -0.0239 + 121Ar Ar 121 1.235 2.336 2.455 -0.1658 -0.1160 0.1368 + 122Ar Ar 122 1.916 0.054 2.019 0.0664 -0.2986 -0.1564 + 123Ar Ar 123 3.138 1.602 1.522 0.2348 0.0309 0.2445 + 124Ar Ar 124 1.718 2.886 3.061 -0.2605 -0.1923 -0.0853 + 125Ar Ar 125 2.182 3.329 1.327 -0.2195 0.1295 -0.0596 + 126Ar Ar 126 1.037 3.259 0.945 -0.0917 -0.0430 0.1665 + 127Ar Ar 127 3.258 1.170 0.534 -0.1056 0.1643 -0.0971 + 128Ar Ar 128 1.501 1.424 3.279 0.0536 0.0124 -0.0059 + 129Ar Ar 129 0.864 2.559 1.076 -0.0877 -0.1673 0.1131 + 130Ar Ar 130 3.496 2.476 0.875 0.0846 0.0245 -0.0891 + 131Ar Ar 131 0.196 3.514 1.411 -0.0383 0.1744 -0.0756 + 132Ar Ar 132 0.490 2.631 0.094 -0.0937 -0.0705 -0.1649 + 133Ar Ar 133 1.991 0.938 1.554 -0.0753 -0.1091 -0.1837 + 134Ar Ar 134 2.737 1.296 3.268 0.0099 -0.0349 -0.1226 + 135Ar Ar 135 0.710 1.262 3.233 0.1895 0.0084 0.0683 + 136Ar Ar 136 1.525 0.135 1.798 0.2774 -0.1681 -0.0581 + 137Ar Ar 137 0.623 2.103 1.887 0.1259 -0.0011 -0.2970 + 138Ar Ar 138 1.912 3.548 0.538 -0.0476 0.0260 -0.1729 + 139Ar Ar 139 3.586 1.131 3.266 0.1159 -0.1855 -0.0214 + 140Ar Ar 140 0.639 0.353 0.518 0.1168 -0.0169 -0.0036 + 141Ar Ar 141 2.406 0.907 0.937 -0.0120 -0.0009 -0.0327 + 142Ar Ar 142 1.825 1.384 2.641 -0.1422 -0.1112 0.0838 + 143Ar Ar 143 1.916 1.878 2.956 0.3070 0.0373 -0.1052 + 144Ar Ar 144 3.591 1.186 0.828 0.1117 0.0152 -0.0850 + 145Ar Ar 145 1.720 3.221 0.019 -0.0559 0.2220 0.0731 + 146Ar Ar 146 0.265 0.640 1.502 -0.0856 0.0114 -0.0062 + 147Ar Ar 147 3.283 1.097 0.154 0.3107 0.1318 0.0142 + 148Ar Ar 148 0.867 0.238 3.298 0.1019 0.0917 0.0764 + 149Ar Ar 149 2.474 0.395 3.173 0.2796 -0.0678 -0.2546 + 150Ar Ar 150 0.143 1.017 1.506 0.1089 -0.1908 -0.0534 + 151Ar Ar 151 1.889 0.332 1.718 0.0859 0.0398 -0.0768 + 152Ar Ar 152 0.911 2.127 2.630 0.1984 -0.0362 -0.0604 + 153Ar Ar 153 2.415 1.966 0.599 -0.1295 0.4280 -0.0883 + 154Ar Ar 154 0.508 1.681 1.833 -0.0269 0.0801 -0.1672 + 155Ar Ar 155 1.711 0.762 1.490 -0.1640 -0.0063 -0.1666 + 156Ar Ar 156 0.266 3.555 2.896 -0.1597 -0.0468 0.0270 + 157Ar Ar 157 3.025 3.026 1.594 -0.0472 0.1463 0.0411 + 158Ar Ar 158 2.246 0.791 1.939 -0.0735 -0.0593 0.2294 + 159Ar Ar 159 1.788 1.632 2.332 0.0624 0.2015 -0.0948 + 160Ar Ar 160 0.353 0.959 0.881 -0.0045 0.1202 0.1863 + 161Ar Ar 161 1.561 0.865 0.999 -0.0188 -0.2229 -0.1832 + 162Ar Ar 162 3.205 0.724 0.079 -0.1127 0.2129 -0.1871 + 163Ar Ar 163 1.098 0.864 1.630 0.1290 -0.0244 -0.1698 + 164Ar Ar 164 0.743 0.802 2.174 0.0175 -0.1573 0.0304 + 165Ar Ar 165 2.276 2.102 2.322 0.0710 0.0608 0.1260 + 166Ar Ar 166 1.244 2.002 1.100 -0.0080 -0.2165 -0.2500 + 167Ar Ar 167 0.287 2.253 1.546 0.2149 -0.0327 0.0453 + 168Ar Ar 168 2.245 0.782 0.029 -0.1695 -0.0509 0.1387 + 169Ar Ar 169 0.736 1.776 1.576 -0.1332 -0.1683 0.0465 + 170Ar Ar 170 0.323 1.429 3.367 -0.0528 -0.1891 -0.0835 + 171Ar Ar 171 2.456 2.001 0.092 -0.0165 -0.0846 0.1836 + 172Ar Ar 172 2.702 1.224 1.358 -0.0086 0.0180 -0.0958 + 173Ar Ar 173 0.958 1.912 1.336 0.0110 0.0515 0.3055 + 174Ar Ar 174 3.436 1.912 0.069 -0.0674 0.1190 -0.0250 + 175Ar Ar 175 3.063 2.839 1.235 0.1580 0.0186 -0.2585 + 176Ar Ar 176 0.460 1.396 2.028 0.0158 -0.0618 0.1620 + 177Ar Ar 177 3.171 0.145 2.676 -0.0310 -0.0597 -0.0846 + 178Ar Ar 178 3.539 3.475 1.157 0.0533 -0.0571 0.0357 + 179Ar Ar 179 3.074 1.217 2.357 0.1443 0.0340 -0.1352 + 180Ar Ar 180 0.174 1.423 3.036 0.1034 -0.3033 0.1279 + 181Ar Ar 181 3.211 2.293 2.042 0.0878 -0.2067 -0.0084 + 182Ar Ar 182 1.797 2.150 1.948 0.0913 -0.1900 -0.0079 + 183Ar Ar 183 0.997 1.040 2.314 0.0345 -0.0922 -0.1189 + 184Ar Ar 184 0.391 1.647 2.347 -0.0685 0.0772 -0.0674 + 185Ar Ar 185 1.235 3.413 1.298 0.1010 -0.1129 -0.0308 + 186Ar Ar 186 0.546 0.310 1.086 -0.0287 -0.0876 0.1471 + 187Ar Ar 187 1.316 1.195 2.303 -0.1458 0.1121 -0.0471 + 188Ar Ar 188 0.216 0.218 2.599 -0.1037 -0.1611 -0.1012 + 189Ar Ar 189 1.640 2.292 2.490 0.0817 0.2567 0.2458 + 190Ar Ar 190 1.891 3.569 3.020 -0.0040 -0.2494 0.0636 + 191Ar Ar 191 3.356 3.344 0.406 -0.0201 -0.2607 0.0372 + 192Ar Ar 192 2.235 3.577 0.256 0.0996 -0.0024 -0.0585 + 193Ar Ar 193 3.083 3.448 2.497 0.0216 -0.1853 0.0803 + 194Ar Ar 194 3.468 2.702 2.919 0.0727 -0.0427 -0.2617 + 195Ar Ar 195 0.477 2.322 3.017 -0.0606 0.1292 0.1223 + 196Ar Ar 196 0.732 1.092 1.868 -0.0968 0.1395 0.3096 + 197Ar Ar 197 2.325 3.129 3.010 0.0481 -0.0489 0.0804 + 198Ar Ar 198 0.402 0.700 1.906 -0.0582 -0.2183 -0.1021 + 199Ar Ar 199 1.201 3.069 2.560 0.1307 0.0929 -0.0991 + 200Ar Ar 200 0.491 2.339 0.648 0.1011 0.0031 -0.0761 + 201Ar Ar 201 2.121 2.962 0.089 -0.3467 -0.0921 -0.0429 + 202Ar Ar 202 0.639 2.945 1.443 0.0767 0.0554 -0.2029 + 203Ar Ar 203 2.658 3.500 3.508 0.1532 -0.1566 -0.1792 + 204Ar Ar 204 3.187 3.509 3.123 0.0551 0.0482 -0.0231 + 205Ar Ar 205 0.961 0.030 1.072 -0.0615 0.1400 0.0704 + 206Ar Ar 206 3.306 0.988 2.931 0.0912 0.1129 -0.0175 + 207Ar Ar 207 3.131 2.454 1.307 0.0339 -0.1270 -0.0689 + 208Ar Ar 208 0.143 1.504 0.853 -0.1623 -0.1026 -0.2126 + 209Ar Ar 209 1.386 0.186 2.817 0.0251 -0.0897 0.2478 + 210Ar Ar 210 2.528 0.009 2.208 0.0127 -0.2398 0.0482 + 211Ar Ar 211 2.800 1.202 2.069 0.1052 0.1063 0.0235 + 212Ar Ar 212 3.082 3.244 3.452 0.1386 -0.1496 -0.1013 + 213Ar Ar 213 2.902 2.632 1.523 0.0290 -0.0024 0.0267 + 214Ar Ar 214 1.332 0.337 3.331 -0.3057 -0.0015 0.1056 + 215Ar Ar 215 1.082 0.229 1.866 0.0640 0.0516 -0.2502 + 216Ar Ar 216 1.140 0.931 2.003 0.1259 0.0002 -0.1711 + 217Ar Ar 217 1.674 0.160 1.487 0.1391 -0.2139 0.4499 + 218Ar Ar 218 1.130 0.650 0.841 -0.0742 -0.1071 0.1274 + 219Ar Ar 219 0.268 1.355 2.701 -0.0002 -0.0250 -0.1357 + 220Ar Ar 220 0.910 3.428 3.178 0.1709 0.0154 -0.0036 + 221Ar Ar 221 1.231 2.453 3.422 0.0846 0.1050 -0.0384 + 222Ar Ar 222 0.456 0.241 3.409 0.1478 0.0331 0.0598 + 223Ar Ar 223 3.002 0.993 3.559 0.0161 -0.1873 0.1440 + 224Ar Ar 224 2.055 1.195 1.117 0.0529 -0.1826 0.1380 + 225Ar Ar 225 0.861 1.226 2.682 -0.0361 0.1165 -0.0393 + 226Ar Ar 226 2.768 1.777 1.269 0.1237 0.0534 0.0793 + 227Ar Ar 227 3.081 1.696 1.879 0.0853 -0.1281 -0.1758 + 228Ar Ar 228 1.121 1.744 0.359 -0.1439 0.0019 0.0300 + 229Ar Ar 229 0.238 3.498 3.275 0.0210 0.1985 -0.2327 + 230Ar Ar 230 0.702 3.287 0.251 -0.2922 0.2386 0.1075 + 231Ar Ar 231 0.090 0.222 3.194 0.1035 0.1391 -0.0278 + 232Ar Ar 232 1.746 0.403 0.609 -0.0151 0.1000 0.0301 + 233Ar Ar 233 1.748 3.347 1.926 0.0100 -0.0028 -0.1048 + 234Ar Ar 234 2.707 2.472 2.652 0.0259 -0.0444 0.0991 + 235Ar Ar 235 3.589 1.857 3.335 -0.0248 -0.1456 0.0142 + 236Ar Ar 236 1.391 0.055 0.218 0.0631 0.0577 0.2054 + 237Ar Ar 237 2.914 1.403 2.596 -0.0301 0.0489 0.0752 + 238Ar Ar 238 1.672 1.212 2.280 0.2242 -0.1587 -0.0354 + 239Ar Ar 239 3.133 2.075 0.867 0.1464 0.1060 0.0464 + 240Ar Ar 240 1.508 1.991 2.421 -0.0114 -0.2078 -0.0907 + 241Ar Ar 241 1.936 2.280 0.843 0.3214 -0.0870 -0.0076 + 242Ar Ar 242 1.848 2.379 3.519 0.2053 0.1487 -0.0106 + 243Ar Ar 243 0.493 0.696 0.043 -0.0349 0.2756 -0.0655 + 244Ar Ar 244 3.103 2.803 2.964 -0.0048 0.0022 -0.0747 + 245Ar Ar 245 1.362 3.567 0.960 -0.1086 0.0705 -0.0461 + 246Ar Ar 246 2.268 1.723 0.918 0.1631 -0.0138 0.1674 + 247Ar Ar 247 1.283 3.142 3.191 0.0656 -0.1513 0.0795 + 248Ar Ar 248 0.364 0.959 0.234 0.0637 -0.2040 0.1898 + 249Ar Ar 249 2.026 1.472 1.935 0.0160 -0.0092 0.3031 + 250Ar Ar 250 0.963 1.804 0.982 -0.1512 -0.0782 0.0060 + 251Ar Ar 251 1.247 1.525 1.049 0.0819 0.0610 0.0616 + 252Ar Ar 252 3.177 2.303 0.494 -0.1997 0.0697 0.1516 + 253Ar Ar 253 0.489 0.542 0.777 -0.0671 0.1835 0.0543 + 254Ar Ar 254 1.284 2.945 2.209 0.1588 0.0028 0.0115 + 255Ar Ar 255 2.579 2.412 0.129 -0.0263 0.1803 -0.0824 + 256Ar Ar 256 3.509 0.225 1.616 -0.0573 0.1748 0.0867 + 257Ar Ar 257 2.017 2.861 0.433 -0.2438 0.0888 0.0332 + 258Ar Ar 258 0.728 0.696 1.720 0.2128 -0.0366 0.0359 + 259Ar Ar 259 0.519 2.342 1.253 -0.0616 0.1979 0.1409 + 260Ar Ar 260 3.516 3.207 0.128 -0.0751 0.1127 0.0976 + 261Ar Ar 261 3.312 1.790 0.812 -0.0109 -0.0714 0.1401 + 262Ar Ar 262 0.140 0.724 2.156 0.0182 -0.1181 -0.0262 + 263Ar Ar 263 3.246 2.727 2.605 0.0396 -0.0097 -0.0108 + 264Ar Ar 264 3.070 0.853 0.684 -0.0750 -0.0771 -0.2121 + 265Ar Ar 265 1.165 3.085 0.423 -0.1995 0.0891 -0.1051 + 266Ar Ar 266 1.465 1.471 2.881 0.0247 0.0726 0.2492 + 267Ar Ar 267 1.208 3.459 1.875 -0.1449 -0.1490 0.0561 + 268Ar Ar 268 0.547 2.517 3.293 -0.0419 0.1536 0.1615 + 269Ar Ar 269 0.409 2.667 1.322 -0.0377 0.0097 -0.1132 + 270Ar Ar 270 1.678 2.586 0.298 -0.2641 0.0709 -0.2785 + 271Ar Ar 271 0.168 2.003 0.032 0.0783 0.1530 0.0152 + 272Ar Ar 272 2.665 0.602 2.928 -0.2554 -0.0833 -0.0133 + 273Ar Ar 273 0.115 1.859 0.730 -0.2026 0.0303 0.0779 + 274Ar Ar 274 0.978 2.343 0.402 0.0949 0.0126 -0.1633 + 275Ar Ar 275 2.438 3.136 1.513 0.1289 0.1643 -0.0125 + 276Ar Ar 276 0.994 1.132 0.670 -0.2978 -0.0009 -0.0458 + 277Ar Ar 277 3.381 0.124 3.357 -0.3630 -0.2479 -0.2183 + 278Ar Ar 278 2.928 3.286 2.770 -0.0966 -0.1980 -0.0110 + 279Ar Ar 279 3.403 1.473 0.927 -0.1797 0.0978 -0.1502 + 280Ar Ar 280 0.838 1.534 1.961 0.0316 -0.0597 0.0333 + 281Ar Ar 281 0.393 1.112 0.576 -0.2463 -0.0463 0.0744 + 282Ar Ar 282 0.372 1.024 1.224 -0.0662 0.2144 -0.0854 + 283Ar Ar 283 3.463 2.218 1.814 0.1062 -0.2565 0.1800 + 284Ar Ar 284 0.123 0.923 1.861 0.1958 0.0549 0.0553 + 285Ar Ar 285 0.096 2.445 3.289 0.2528 -0.1047 0.2184 + 286Ar Ar 286 1.043 2.052 0.637 0.0652 0.0201 0.2599 + 287Ar Ar 287 2.710 1.867 1.794 -0.0996 -0.2943 -0.2658 + 288Ar Ar 288 2.676 0.250 1.941 -0.0324 -0.0347 -0.0830 + 289Ar Ar 289 0.093 0.151 3.528 0.1637 -0.0856 0.1848 + 290Ar Ar 290 1.419 3.347 2.167 0.1741 -0.1614 -0.0113 + 291Ar Ar 291 1.313 2.695 2.561 0.1436 -0.2444 -0.0930 + 292Ar Ar 292 3.546 2.038 1.518 0.1274 -0.0425 0.0622 + 293Ar Ar 293 1.644 2.987 0.411 0.0328 0.0200 -0.1363 + 294Ar Ar 294 1.106 1.860 3.044 -0.3298 -0.1136 -0.0814 + 295Ar Ar 295 2.444 2.512 2.397 -0.0459 -0.0292 -0.2051 + 296Ar Ar 296 2.500 0.539 1.009 0.0240 -0.0338 0.0381 + 297Ar Ar 297 0.855 0.405 0.804 0.0974 0.0071 -0.0934 + 298Ar Ar 298 1.118 1.331 1.334 0.1867 -0.1553 0.0868 + 299Ar Ar 299 0.543 0.055 1.486 -0.0975 0.0092 0.0532 + 300Ar Ar 300 2.046 1.547 1.200 0.1581 -0.2462 -0.0152 + 301Ar Ar 301 1.622 0.226 1.132 0.2335 -0.0037 -0.1328 + 302Ar Ar 302 1.358 2.750 1.660 0.0911 -0.2013 0.1361 + 303Ar Ar 303 0.969 3.028 0.078 -0.0092 0.3491 0.2311 + 304Ar Ar 304 1.523 1.756 0.996 0.1474 -0.1653 -0.0357 + 305Ar Ar 305 2.173 2.600 2.182 0.0218 -0.1530 0.1360 + 306Ar Ar 306 3.037 1.350 0.832 -0.1291 0.0645 -0.0065 + 307Ar Ar 307 2.826 0.021 2.338 -0.1152 0.0117 0.0630 + 308Ar Ar 308 0.435 2.624 2.779 -0.0543 -0.1124 0.0624 + 309Ar Ar 309 0.350 2.393 0.315 -0.1698 -0.0646 0.1682 + 310Ar Ar 310 1.707 0.231 2.298 0.1610 0.2311 0.4010 + 311Ar Ar 311 3.425 1.192 2.621 -0.3827 0.0408 0.1071 + 312Ar Ar 312 3.211 2.429 1.708 -0.0774 -0.1328 -0.0694 + 313Ar Ar 313 2.585 3.323 2.945 0.1703 0.0541 0.0918 + 314Ar Ar 314 0.068 0.103 1.963 -0.0028 -0.1012 -0.0899 + 315Ar Ar 315 1.120 1.463 2.677 -0.0502 -0.0653 0.1346 + 316Ar Ar 316 1.096 2.413 2.803 0.0127 0.0339 0.0447 + 317Ar Ar 317 0.495 0.547 2.708 0.1446 -0.0015 -0.1635 + 318Ar Ar 318 3.051 3.430 2.143 0.0315 -0.0429 0.0135 + 319Ar Ar 319 2.872 2.256 0.764 -0.2433 -0.2639 -0.1429 + 320Ar Ar 320 1.937 2.892 2.250 -0.1518 -0.0539 0.0203 + 321Ar Ar 321 1.634 3.099 2.218 0.0439 -0.0987 -0.0138 + 322Ar Ar 322 3.592 1.338 2.167 0.1000 0.0789 -0.1175 + 323Ar Ar 323 1.653 1.531 0.072 -0.2030 -0.1232 -0.0944 + 324Ar Ar 324 3.208 2.108 2.898 0.0219 -0.2017 0.1671 + 325Ar Ar 325 0.378 3.160 0.188 -0.3057 0.0815 -0.0947 + 326Ar Ar 326 1.544 2.282 0.167 0.2587 0.0228 -0.1126 + 327Ar Ar 327 2.054 1.190 2.364 0.2331 0.0825 0.1413 + 328Ar Ar 328 2.727 1.744 0.025 0.0312 0.1040 -0.0756 + 329Ar Ar 329 2.128 2.812 3.028 0.1562 0.1247 -0.2264 + 330Ar Ar 330 2.956 2.637 0.443 -0.0404 -0.1533 0.0267 + 331Ar Ar 331 1.703 1.109 1.702 0.0609 0.1002 0.0499 + 332Ar Ar 332 0.343 3.352 1.115 0.1267 0.0135 -0.0768 + 333Ar Ar 333 2.532 3.182 1.004 0.0517 -0.0155 0.1611 + 334Ar Ar 334 0.825 1.000 2.993 0.0260 0.0549 0.0971 + 335Ar Ar 335 2.568 2.802 0.970 -0.0727 0.0917 -0.0146 + 336Ar Ar 336 3.542 2.950 2.530 -0.0372 0.3211 -0.0842 + 337Ar Ar 337 3.110 1.481 3.199 -0.0035 0.0560 -0.1394 + 338Ar Ar 338 1.273 2.505 0.189 0.2344 -0.0069 0.0140 + 339Ar Ar 339 0.696 0.769 0.572 0.0720 0.0848 0.0348 + 340Ar Ar 340 2.615 0.749 2.274 -0.2170 -0.1692 0.0566 + 341Ar Ar 341 2.959 2.248 3.062 0.0237 0.1187 -0.0665 + 342Ar Ar 342 0.052 1.199 1.175 0.1140 -0.0038 0.1662 + 343Ar Ar 343 1.205 3.276 2.850 -0.1149 -0.0147 0.0260 + 344Ar Ar 344 3.556 1.322 1.548 -0.1387 0.0548 0.1041 + 345Ar Ar 345 2.309 0.962 2.239 -0.0444 -0.1085 -0.1057 + 346Ar Ar 346 1.574 2.979 3.425 -0.1347 0.2228 0.1439 + 347Ar Ar 347 1.279 1.771 0.771 0.0605 0.0112 0.0434 + 348Ar Ar 348 0.811 1.795 2.826 -0.0180 0.1398 -0.2548 + 349Ar Ar 349 1.303 0.125 2.138 0.1350 0.0118 -0.0461 + 350Ar Ar 350 3.464 0.300 2.534 0.0183 0.0635 -0.2198 + 351Ar Ar 351 0.418 2.991 0.886 -0.1441 -0.0649 0.0616 + 352Ar Ar 352 0.767 0.891 1.425 -0.1320 0.1060 -0.0776 + 353Ar Ar 353 3.554 3.460 1.665 -0.1275 0.1212 -0.0811 + 354Ar Ar 354 1.238 1.700 1.362 -0.0198 -0.1965 0.1456 + 355Ar Ar 355 1.160 0.334 0.097 0.2740 0.0175 -0.1795 + 356Ar Ar 356 2.172 2.557 1.460 -0.0341 -0.0132 -0.0579 + 357Ar Ar 357 2.365 0.133 3.497 0.0805 -0.0003 0.0852 + 358Ar Ar 358 0.600 2.958 2.733 -0.1570 -0.1837 0.0206 + 359Ar Ar 359 1.674 2.632 0.642 -0.0206 -0.2744 0.2644 + 360Ar Ar 360 1.858 0.161 0.823 -0.0385 -0.0074 -0.1806 + 361Ar Ar 361 0.556 1.486 2.990 0.0952 0.2228 -0.0525 + 362Ar Ar 362 0.655 0.433 2.050 0.0478 -0.1384 -0.1484 + 363Ar Ar 363 1.485 2.971 0.776 -0.0436 -0.1511 -0.1838 + 364Ar Ar 364 0.743 2.911 0.678 -0.0555 -0.1917 -0.0359 + 365Ar Ar 365 1.443 1.852 2.067 -0.0360 0.0717 -0.0278 + 366Ar Ar 366 3.289 3.490 1.433 0.0958 -0.1379 0.2980 + 367Ar Ar 367 3.291 2.930 3.569 -0.2343 0.0453 0.1325 + 368Ar Ar 368 1.142 0.534 2.691 -0.0817 0.0690 -0.1060 + 369Ar Ar 369 3.262 3.058 2.743 -0.0833 -0.0427 0.0663 + 370Ar Ar 370 1.636 1.139 2.889 0.0839 -0.0490 0.1641 + 371Ar Ar 371 0.825 3.104 3.304 -0.1337 -0.0367 0.0002 + 372Ar Ar 372 1.503 0.529 3.008 -0.1092 -0.0883 -0.0600 + 373Ar Ar 373 0.224 0.579 3.202 0.1094 -0.1873 -0.1339 + 374Ar Ar 374 3.275 2.870 1.895 0.0814 0.1748 -0.1170 + 375Ar Ar 375 2.567 1.264 1.760 -0.1152 0.0974 -0.1751 + 376Ar Ar 376 1.558 0.835 2.144 0.0778 -0.1063 -0.0208 + 377Ar Ar 377 3.279 1.690 1.169 -0.1063 0.2298 -0.0711 + 378Ar Ar 378 0.393 3.534 2.442 -0.0989 -0.0784 0.1102 + 379Ar Ar 379 0.598 1.932 2.553 0.1758 -0.0391 -0.1467 + 380Ar Ar 380 2.335 3.280 2.287 0.1394 -0.0291 0.0270 + 381Ar Ar 381 2.121 2.982 1.349 0.0521 -0.2439 0.1633 + 382Ar Ar 382 2.308 2.830 1.662 0.1867 -0.0222 -0.0644 + 383Ar Ar 383 3.015 1.054 1.393 0.1443 -0.2382 -0.2024 + 384Ar Ar 384 2.349 1.838 1.227 -0.1594 -0.0043 -0.1728 + 385Ar Ar 385 2.771 2.974 2.969 0.1147 -0.0710 0.1557 + 386Ar Ar 386 2.406 0.130 0.571 -0.0626 -0.0576 -0.2066 + 387Ar Ar 387 0.040 1.205 0.465 -0.0967 0.2578 -0.0790 + 388Ar Ar 388 1.782 2.859 0.112 0.1062 -0.1046 0.2118 + 389Ar Ar 389 0.834 0.302 1.609 -0.0394 -0.0457 0.1053 + 390Ar Ar 390 0.616 2.872 3.071 0.0587 0.1477 -0.1088 + 391Ar Ar 391 3.156 3.495 1.032 0.1551 0.0708 -0.0211 + 392Ar Ar 392 1.937 0.971 0.242 0.2543 0.0288 0.0942 + 393Ar Ar 393 3.429 2.395 2.765 -0.0492 0.2221 0.0078 + 394Ar Ar 394 1.014 2.013 3.374 -0.0348 -0.1732 0.0214 + 395Ar Ar 395 3.190 3.071 2.165 -0.0358 -0.1869 -0.0533 + 396Ar Ar 396 3.583 2.847 1.443 0.0547 -0.1039 -0.0360 + 397Ar Ar 397 1.705 2.884 1.495 -0.0863 -0.1232 0.0323 + 398Ar Ar 398 0.595 0.224 2.581 0.0177 -0.0520 -0.0787 + 399Ar Ar 399 2.840 0.018 2.912 0.0501 0.1761 -0.0319 + 400Ar Ar 400 1.125 0.045 3.527 0.0389 0.1338 0.1872 + 401Ar Ar 401 1.666 1.035 0.539 0.0216 -0.0152 -0.0709 + 402Ar Ar 402 2.410 2.699 3.534 0.1785 0.1182 0.0468 + 403Ar Ar 403 0.358 0.627 0.368 -0.2985 -0.1827 -0.1182 + 404Ar Ar 404 3.351 2.176 1.157 0.0943 0.1778 -0.2263 + 405Ar Ar 405 0.202 3.298 0.797 -0.0828 -0.0193 -0.2467 + 406Ar Ar 406 1.479 3.439 1.604 0.1916 0.1581 -0.0413 + 407Ar Ar 407 0.881 1.757 0.654 0.1222 0.0221 0.3514 + 408Ar Ar 408 1.801 0.500 0.985 0.2238 0.1257 0.1373 + 409Ar Ar 409 2.809 0.714 0.886 0.1553 0.1243 0.0131 + 410Ar Ar 410 0.367 2.346 3.548 -0.1662 -0.1309 -0.0716 + 411Ar Ar 411 2.290 1.267 1.417 0.2235 -0.1891 0.0212 + 412Ar Ar 412 1.014 0.712 1.237 -0.0236 -0.2802 -0.0457 + 413Ar Ar 413 2.257 1.504 0.303 -0.1474 -0.0486 0.0075 + 414Ar Ar 414 0.221 2.598 0.936 0.0324 -0.1564 -0.0223 + 415Ar Ar 415 3.268 0.237 1.300 -0.1334 0.1530 -0.0972 + 416Ar Ar 416 1.246 0.098 1.564 -0.3134 -0.0456 0.0350 + 417Ar Ar 417 2.426 0.586 1.373 0.0165 0.0377 -0.1692 + 418Ar Ar 418 0.811 0.224 2.905 -0.0617 -0.1125 0.1065 + 419Ar Ar 419 1.723 1.730 3.323 -0.1446 0.3804 0.1357 + 420Ar Ar 420 2.654 0.978 3.033 -0.0643 0.0253 0.1717 + 421Ar Ar 421 1.657 1.460 2.025 -0.2198 0.1219 0.0053 + 422Ar Ar 422 2.408 1.606 0.629 -0.0886 0.0286 0.0049 + 423Ar Ar 423 0.913 2.524 0.705 0.1401 0.0454 0.1904 + 424Ar Ar 424 3.498 1.933 2.798 -0.0244 0.0521 -0.1513 + 425Ar Ar 425 0.605 2.478 2.055 -0.0839 0.0255 0.1170 + 426Ar Ar 426 0.500 1.232 2.379 0.1178 -0.0364 0.0907 + 427Ar Ar 427 0.261 1.270 1.765 -0.0452 0.2054 -0.0853 + 428Ar Ar 428 1.922 3.202 0.365 -0.0486 -0.0078 -0.0525 + 429Ar Ar 429 1.917 0.580 3.588 0.1677 -0.0712 0.1615 + 430Ar Ar 430 0.550 3.285 2.096 0.0626 0.1577 -0.1012 + 431Ar Ar 431 2.139 0.516 0.799 -0.0230 0.0298 0.0669 + 432Ar Ar 432 3.502 0.879 3.486 0.1368 -0.1641 0.0300 + 433Ar Ar 433 1.852 2.910 2.745 0.1560 0.1272 -0.3530 + 434Ar Ar 434 2.280 2.307 0.686 -0.0148 -0.2373 0.1167 + 435Ar Ar 435 0.936 1.117 0.034 0.2368 -0.0240 0.2273 + 436Ar Ar 436 1.605 2.417 0.967 0.2278 0.0587 0.1172 + 437Ar Ar 437 2.388 0.770 3.306 0.1132 0.1624 -0.0136 + 438Ar Ar 438 1.391 3.194 1.054 0.0034 0.0299 -0.1532 + 439Ar Ar 439 2.482 1.529 2.640 0.1133 0.0359 -0.0871 + 440Ar Ar 440 1.591 2.492 1.419 -0.0615 -0.2041 0.0366 + 441Ar Ar 441 0.169 0.709 0.642 -0.0427 -0.0523 -0.0403 + 442Ar Ar 442 3.566 2.167 0.340 -0.1514 0.1795 -0.0194 + 443Ar Ar 443 1.776 1.998 0.722 0.0593 -0.0121 -0.0123 + 444Ar Ar 444 2.175 3.174 1.745 -0.0686 0.0278 0.1136 + 445Ar Ar 445 1.589 2.167 3.094 -0.1498 -0.1353 -0.2792 + 446Ar Ar 446 0.421 1.300 0.988 -0.0502 0.1497 0.1336 + 447Ar Ar 447 2.195 0.204 2.181 0.0075 -0.0703 0.0422 + 448Ar Ar 448 1.870 0.296 3.313 0.1834 0.2801 -0.1341 + 449Ar Ar 449 1.089 0.901 2.643 0.0663 0.0058 -0.0567 + 450Ar Ar 450 2.827 1.892 0.723 -0.1694 0.0117 0.0230 + 451Ar Ar 451 3.433 2.730 3.296 -0.1512 -0.1265 0.1338 + 452Ar Ar 452 3.276 2.585 0.245 0.1740 0.0299 0.3272 + 453Ar Ar 453 2.845 0.354 3.175 0.1752 -0.1339 0.1334 + 454Ar Ar 454 1.034 1.692 3.551 -0.0040 0.1365 -0.0167 + 455Ar Ar 455 2.250 2.970 2.035 -0.0382 -0.0524 -0.0846 + 456Ar Ar 456 1.830 0.810 2.957 0.0614 -0.0286 -0.1316 + 457Ar Ar 457 3.197 0.917 3.281 -0.0583 0.2568 -0.0680 + 458Ar Ar 458 1.620 2.749 2.072 -0.1217 -0.1803 0.0856 + 459Ar Ar 459 0.801 0.619 2.887 0.0780 -0.0151 -0.0707 + 460Ar Ar 460 3.492 3.062 3.136 0.1588 0.2232 0.0330 + 461Ar Ar 461 2.455 1.875 2.662 0.0744 -0.1270 0.1756 + 462Ar Ar 462 0.422 0.248 2.919 0.1356 -0.1377 0.0411 + 463Ar Ar 463 0.085 2.413 1.223 0.0768 0.0312 -0.0270 + 464Ar Ar 464 0.914 1.395 0.933 -0.2718 0.2668 0.0684 + 465Ar Ar 465 0.984 3.296 1.623 0.1264 -0.0455 -0.1658 + 466Ar Ar 466 1.085 3.399 0.200 0.2732 -0.1661 0.1193 + 467Ar Ar 467 2.959 2.041 0.423 -0.2353 -0.0393 -0.1450 + 468Ar Ar 468 2.871 3.133 1.980 0.0637 0.0234 0.1663 + 469Ar Ar 469 1.238 3.204 3.531 0.1117 -0.1707 -0.1473 + 470Ar Ar 470 0.092 1.204 0.045 -0.0599 -0.2361 -0.0002 + 471Ar Ar 471 2.846 0.323 0.585 0.0445 0.0008 0.1448 + 472Ar Ar 472 0.624 2.590 0.456 0.0370 -0.2104 -0.0164 + 473Ar Ar 473 2.686 1.156 2.722 0.0077 0.0899 0.0841 + 474Ar Ar 474 0.041 2.521 0.238 -0.1376 0.0194 -0.0310 + 475Ar Ar 475 1.947 1.165 3.080 0.1085 0.0073 0.0224 + 476Ar Ar 476 3.279 1.506 2.485 -0.0839 0.0829 0.2692 + 477Ar Ar 477 3.080 2.347 3.396 0.0256 -0.0198 0.0905 + 478Ar Ar 478 1.693 0.653 3.308 0.0288 0.1399 -0.1575 + 479Ar Ar 479 3.428 1.546 0.568 0.2159 0.0998 0.1994 + 480Ar Ar 480 2.842 1.108 1.014 0.0710 0.0750 -0.0243 + 481Ar Ar 481 0.319 2.970 2.433 -0.0213 0.0642 -0.0324 + 482Ar Ar 482 1.329 2.149 2.739 0.0628 0.2276 -0.1370 + 483Ar Ar 483 0.129 3.350 2.136 -0.1459 0.0460 0.0606 + 484Ar Ar 484 1.832 2.436 2.160 -0.0813 0.0916 -0.1258 + 485Ar Ar 485 0.880 2.603 3.565 -0.1880 -0.0749 0.0355 + 486Ar Ar 486 3.353 3.136 1.530 0.0816 0.0464 0.1002 + 487Ar Ar 487 2.854 2.781 2.658 0.0055 -0.1048 0.2226 + 488Ar Ar 488 1.461 1.428 1.423 0.0168 -0.0536 0.0026 + 489Ar Ar 489 3.493 0.160 2.859 -0.2416 0.1205 -0.0809 + 490Ar Ar 490 0.074 3.194 1.420 0.1838 0.1087 0.0260 + 491Ar Ar 491 0.991 2.694 0.371 -0.0555 0.0218 0.1078 + 492Ar Ar 492 0.034 3.131 1.054 0.2608 0.0229 0.0930 + 493Ar Ar 493 0.837 2.722 3.235 0.0185 -0.0475 0.0048 + 494Ar Ar 494 2.719 2.892 0.316 -0.0151 -0.0552 -0.0004 + 495Ar Ar 495 1.341 3.081 1.401 0.1478 -0.1485 0.1332 + 496Ar Ar 496 2.716 2.870 1.759 -0.1546 0.0151 -0.0369 + 497Ar Ar 497 1.498 1.439 2.515 0.0950 -0.0035 -0.0002 + 498Ar Ar 498 0.585 0.450 3.182 0.0492 0.0341 0.0459 + 499Ar Ar 499 2.396 2.281 2.678 0.2844 0.0815 -0.0832 + 500Ar Ar 500 2.259 3.552 1.034 0.0468 -0.0645 -0.2280 + 501Ar Ar 501 0.492 1.660 0.051 0.1330 0.1859 0.0888 + 502Ar Ar 502 3.193 1.819 2.658 -0.2047 -0.1589 0.0752 + 503Ar Ar 503 0.496 3.262 1.464 0.2422 0.0955 0.0028 + 504Ar Ar 504 1.668 1.146 1.287 0.0202 0.0205 -0.0140 + 505Ar Ar 505 0.986 1.538 1.669 -0.0725 -0.1077 -0.0330 + 506Ar Ar 506 0.423 3.502 1.805 0.2167 -0.1857 0.0497 + 507Ar Ar 507 0.593 0.003 3.140 -0.1316 -0.1975 -0.0447 + 508Ar Ar 508 2.210 0.484 3.452 -0.1706 -0.0506 0.0249 + 509Ar Ar 509 0.644 1.437 1.560 -0.0144 0.0307 0.0649 + 510Ar Ar 510 3.584 2.938 1.788 0.0576 -0.1974 0.0499 + 511Ar Ar 511 3.324 0.116 0.382 -0.1704 -0.0936 0.0628 + 512Ar Ar 512 2.490 0.021 3.186 0.0093 -0.1732 0.1009 + 513Ar Ar 513 1.267 0.200 1.205 0.1290 0.0037 -0.0630 + 514Ar Ar 514 3.004 2.673 3.320 0.0221 -0.1918 -0.1477 + 515Ar Ar 515 2.752 0.490 1.260 -0.0684 0.2186 0.0381 + 516Ar Ar 516 0.789 3.549 2.420 0.0623 0.0972 -0.0615 + 517Ar Ar 517 1.870 0.779 0.666 0.1930 -0.1069 0.0628 + 518Ar Ar 518 0.943 2.018 0.246 -0.1412 -0.2626 -0.0162 + 519Ar Ar 519 2.207 2.849 2.434 0.0936 0.0338 -0.1033 + 520Ar Ar 520 0.229 1.998 1.284 -0.0997 -0.2236 0.2291 + 521Ar Ar 521 1.370 0.835 2.455 0.0662 0.0396 -0.0752 + 522Ar Ar 522 3.260 1.077 1.007 -0.0895 0.0604 0.1243 + 523Ar Ar 523 1.466 2.714 1.151 0.0464 0.2477 -0.1098 + 524Ar Ar 524 1.713 1.531 1.665 -0.0131 0.0152 0.1467 + 525Ar Ar 525 3.389 0.366 0.158 -0.0683 -0.2172 -0.1861 + 526Ar Ar 526 2.931 3.068 0.947 -0.1530 0.0528 -0.0207 + 527Ar Ar 527 2.958 3.014 2.434 -0.0276 -0.1875 0.0330 + 528Ar Ar 528 2.625 2.037 1.488 -0.1914 -0.1716 0.0274 + 529Ar Ar 529 2.717 1.473 0.705 0.0006 -0.2157 0.0769 + 530Ar Ar 530 1.588 2.097 1.117 0.0240 0.0382 0.0643 + 531Ar Ar 531 0.853 3.383 3.537 -0.0667 0.0759 0.2709 + 532Ar Ar 532 2.160 2.227 0.008 -0.1055 -0.0596 0.2477 + 533Ar Ar 533 2.282 3.168 2.640 0.1528 0.1209 -0.0945 + 534Ar Ar 534 1.888 0.644 2.678 -0.0376 0.1878 0.0382 + 535Ar Ar 535 3.029 1.898 3.118 0.1080 -0.0164 0.2133 + 536Ar Ar 536 1.247 1.574 2.157 0.0755 0.1262 0.0050 + 537Ar Ar 537 0.978 2.590 1.721 0.1268 -0.0779 0.0221 + 538Ar Ar 538 3.020 2.572 2.314 -0.0698 -0.0419 -0.0353 + 539Ar Ar 539 0.986 3.148 1.284 -0.0691 0.1186 0.0834 + 540Ar Ar 540 3.509 0.788 3.131 -0.0348 0.3548 -0.0346 + 541Ar Ar 541 1.363 1.527 1.813 -0.0633 0.1568 -0.0768 + 542Ar Ar 542 2.374 0.495 2.084 0.1979 -0.1197 0.0021 + 543Ar Ar 543 1.705 1.436 1.120 0.0187 -0.0231 0.0409 + 544Ar Ar 544 0.053 0.810 0.210 0.0137 0.0952 -0.1497 + 545Ar Ar 545 3.048 0.462 2.409 -0.0454 0.1423 -0.0704 + 546Ar Ar 546 2.693 2.500 3.378 0.0398 -0.0144 0.0070 + 547Ar Ar 547 1.937 0.450 2.085 -0.1161 0.1099 -0.0177 + 548Ar Ar 548 1.551 2.618 3.543 0.0806 -0.1201 -0.0464 + 549Ar Ar 549 3.455 0.500 3.327 -0.1114 0.1073 -0.0381 + 550Ar Ar 550 1.019 3.029 1.931 -0.3507 -0.1541 -0.1244 + 551Ar Ar 551 0.054 1.804 0.388 -0.0171 0.0112 0.1468 + 552Ar Ar 552 3.080 3.148 3.077 -0.1083 0.0846 -0.0579 + 553Ar Ar 553 3.578 1.891 1.031 0.0651 -0.0755 -0.3404 + 554Ar Ar 554 3.243 1.710 3.453 0.1018 0.0789 -0.0708 + 555Ar Ar 555 3.415 1.316 3.022 0.0410 0.0199 -0.0695 + 556Ar Ar 556 3.481 2.280 3.531 -0.0634 0.0153 -0.0015 + 557Ar Ar 557 0.087 3.191 0.444 0.1213 -0.3399 0.0825 + 558Ar Ar 558 0.347 1.788 3.365 -0.1135 -0.0640 0.0314 + 559Ar Ar 559 2.310 2.071 1.659 0.0219 -0.0844 0.0084 + 560Ar Ar 560 3.281 3.169 1.175 -0.0019 -0.1266 -0.0412 + 561Ar Ar 561 3.523 2.571 1.883 0.1136 -0.0125 0.2350 + 562Ar Ar 562 2.039 3.273 0.731 0.0624 -0.0330 0.1349 + 563Ar Ar 563 3.454 0.378 2.022 -0.0944 0.0249 0.0939 + 564Ar Ar 564 1.214 0.573 1.889 0.0832 -0.1771 0.0140 + 565Ar Ar 565 0.129 1.765 3.023 0.1108 -0.1297 -0.1062 + 566Ar Ar 566 2.005 3.522 1.695 -0.0669 0.0959 -0.2397 + 567Ar Ar 567 0.762 1.847 2.200 -0.0349 -0.1514 -0.0430 + 568Ar Ar 568 0.430 3.570 0.039 -0.0618 -0.0192 0.1616 + 569Ar Ar 569 2.743 3.003 1.309 -0.0103 0.0472 -0.1202 + 570Ar Ar 570 2.613 1.465 2.339 0.0545 0.1777 -0.2201 + 571Ar Ar 571 2.475 0.756 0.336 -0.0220 0.0330 0.1051 + 572Ar Ar 572 2.786 3.442 0.908 -0.0138 -0.0257 0.0255 + 573Ar Ar 573 3.411 1.048 2.254 0.0157 -0.0545 -0.1953 + 574Ar Ar 574 0.704 2.177 2.296 0.2374 -0.1799 -0.2146 + 575Ar Ar 575 2.040 0.259 2.630 0.1750 0.0071 0.1025 + 576Ar Ar 576 2.620 3.465 1.250 0.1385 -0.0804 -0.1067 + 577Ar Ar 577 3.067 0.795 1.174 0.0760 0.0454 -0.0468 + 578Ar Ar 578 0.126 2.718 3.544 -0.0819 0.1056 0.2286 + 579Ar Ar 579 2.112 1.890 0.209 -0.0289 -0.0502 0.0201 + 580Ar Ar 580 0.197 2.887 0.270 -0.0377 0.1560 0.0656 + 581Ar Ar 581 2.405 0.905 1.576 -0.0569 0.1132 -0.0155 + 582Ar Ar 582 1.373 0.565 1.206 -0.0146 0.0275 0.1387 + 583Ar Ar 583 3.058 3.130 0.254 0.0773 -0.3358 0.1791 + 584Ar Ar 584 2.258 2.091 0.996 -0.1970 -0.1296 -0.0220 + 585Ar Ar 585 0.086 0.518 1.809 -0.2232 0.1834 0.0326 + 586Ar Ar 586 2.584 1.987 0.975 -0.4887 0.1412 0.0709 + 587Ar Ar 587 0.508 3.090 0.544 0.0135 0.1047 -0.1214 + 588Ar Ar 588 1.133 2.737 1.343 -0.2099 0.1035 0.1718 + 589Ar Ar 589 2.414 2.325 3.424 -0.1700 -0.0611 -0.0363 + 590Ar Ar 590 0.959 0.366 1.181 0.0313 -0.0759 0.1930 + 591Ar Ar 591 0.336 2.303 2.290 0.0897 -0.0397 -0.0955 + 592Ar Ar 592 2.391 1.727 3.441 -0.0096 -0.1540 -0.1602 + 593Ar Ar 593 1.921 1.933 1.071 -0.0523 0.0755 0.2880 + 594Ar Ar 594 0.759 2.542 1.447 -0.0246 -0.0021 -0.1267 + 595Ar Ar 595 2.600 1.346 3.593 0.0342 0.0303 0.0876 + 596Ar Ar 596 0.936 0.604 3.238 -0.0353 0.0577 -0.1345 + 597Ar Ar 597 1.854 3.489 3.412 0.0501 0.0949 -0.1754 + 598Ar Ar 598 2.042 1.057 2.758 -0.1536 -0.3293 0.0505 + 599Ar Ar 599 0.995 0.133 0.381 0.0695 0.0007 0.0564 + 600Ar Ar 600 0.135 1.562 1.207 -0.0993 0.1579 -0.1686 + 601Ar Ar 601 2.829 2.828 2.163 0.1547 0.1427 -0.0989 + 602Ar Ar 602 2.746 3.079 0.658 0.0623 0.1297 -0.0134 + 603Ar Ar 603 1.458 2.969 2.820 -0.0340 0.1051 -0.0096 + 604Ar Ar 604 3.126 0.419 3.471 -0.0650 0.0951 -0.1416 + 605Ar Ar 605 0.480 1.033 1.597 0.0773 -0.0321 0.2758 + 606Ar Ar 606 1.422 3.128 1.808 -0.1951 -0.0591 -0.0544 + 607Ar Ar 607 2.253 1.990 2.922 0.0718 0.0945 -0.0845 + 608Ar Ar 608 0.585 0.071 0.769 0.0062 -0.1208 0.0608 + 609Ar Ar 609 2.139 0.482 2.377 -0.1111 -0.2005 -0.1517 + 610Ar Ar 610 1.122 2.870 3.404 -0.1366 0.0802 0.0270 + 611Ar Ar 611 0.221 3.148 3.124 -0.1575 0.0107 0.1179 + 612Ar Ar 612 3.104 2.496 0.924 -0.0614 -0.0399 0.1339 + 613Ar Ar 613 0.107 1.497 2.445 -0.0780 -0.0039 0.1460 + 614Ar Ar 614 1.957 0.862 2.190 0.0030 -0.1228 0.1392 + 615Ar Ar 615 0.630 1.939 1.222 0.0409 -0.1441 -0.1827 + 616Ar Ar 616 1.964 2.645 1.846 0.0635 -0.0098 -0.2280 + 617Ar Ar 617 3.345 0.552 1.097 0.2548 -0.2313 0.0094 + 618Ar Ar 618 1.910 1.296 1.480 0.0977 -0.0383 0.0105 + 619Ar Ar 619 1.276 1.214 3.045 0.1185 -0.0601 -0.1007 + 620Ar Ar 620 0.183 0.616 2.494 0.1232 0.0289 0.1902 + 621Ar Ar 621 0.248 2.104 3.223 0.2120 0.1095 -0.2811 + 622Ar Ar 622 2.124 0.311 1.124 0.2196 0.0935 -0.0438 + 623Ar Ar 623 3.046 3.332 0.664 -0.0133 0.1127 -0.0869 + 624Ar Ar 624 0.957 3.062 3.014 -0.0380 0.1244 -0.0634 + 625Ar Ar 625 3.580 1.480 3.348 -0.1166 -0.0855 -0.0399 + 626Ar Ar 626 1.940 3.115 3.357 -0.2183 -0.0644 -0.0313 + 627Ar Ar 627 1.715 1.738 1.322 -0.0570 -0.0367 0.1765 + 628Ar Ar 628 1.307 0.708 3.365 -0.1269 0.1785 0.1966 + 629Ar Ar 629 0.546 0.532 2.361 0.0501 0.0593 -0.1441 + 630Ar Ar 630 2.851 0.634 0.076 -0.0631 -0.0716 0.0589 + 631Ar Ar 631 2.591 2.462 1.721 0.2471 0.1202 0.0543 + 632Ar Ar 632 0.637 0.527 1.416 0.1538 0.0275 0.0076 + 633Ar Ar 633 0.607 0.802 3.238 0.2253 0.0355 0.2059 + 634Ar Ar 634 1.612 2.831 2.481 0.1990 -0.1884 0.0132 + 635Ar Ar 635 1.354 2.445 0.566 -0.1077 0.0938 -0.0829 + 636Ar Ar 636 0.207 2.169 0.876 -0.1045 -0.0302 0.0731 + 637Ar Ar 637 0.949 1.493 3.004 0.0759 0.2311 0.0909 + 638Ar Ar 638 3.452 3.307 3.411 0.1022 0.1030 0.0982 + 639Ar Ar 639 3.415 2.913 0.321 0.0337 0.0971 -0.0513 + 640Ar Ar 640 2.762 0.236 3.547 -0.0429 0.1201 0.0760 + 641Ar Ar 641 1.818 1.750 1.987 -0.0700 0.1030 0.0967 + 642Ar Ar 642 2.309 2.012 3.278 0.1160 0.1429 -0.0393 + 643Ar Ar 643 1.005 1.002 3.314 0.0567 -0.2563 0.0089 + 644Ar Ar 644 0.769 1.065 0.391 -0.0449 -0.0171 -0.1914 + 645Ar Ar 645 3.257 2.044 3.374 -0.0875 -0.1452 -0.0554 + 646Ar Ar 646 0.203 2.667 2.033 0.1556 -0.1784 0.0615 + 647Ar Ar 647 2.967 0.355 0.985 0.1643 -0.1939 0.0984 + 648Ar Ar 648 1.616 1.908 1.723 0.0780 -0.0191 0.0229 + 649Ar Ar 649 3.264 2.734 1.557 -0.2160 0.1707 0.0712 + 650Ar Ar 650 3.177 1.350 2.029 0.0673 -0.2093 -0.0966 + 651Ar Ar 651 0.477 1.719 0.652 -0.0179 0.0370 -0.0811 + 652Ar Ar 652 0.906 3.548 1.396 -0.1264 -0.1200 -0.0696 + 653Ar Ar 653 1.849 2.706 1.201 -0.1663 0.0191 0.1340 + 654Ar Ar 654 2.062 2.582 0.132 0.0113 0.0822 0.0046 + 655Ar Ar 655 1.300 1.429 0.073 0.1344 -0.1009 -0.3305 + 656Ar Ar 656 2.473 2.725 3.131 -0.0104 -0.0764 -0.2497 + 657Ar Ar 657 1.652 3.247 0.625 -0.0870 0.0955 0.2283 + 658Ar Ar 658 0.045 2.893 0.725 -0.1984 -0.0141 -0.0220 + 659Ar Ar 659 3.379 0.978 1.339 -0.1161 0.1450 0.1703 + 660Ar Ar 660 1.330 2.384 1.174 0.2041 0.0675 0.2315 + 661Ar Ar 661 2.513 0.246 2.812 -0.0355 0.1042 -0.0881 + 662Ar Ar 662 2.273 2.540 1.091 -0.0690 -0.1686 -0.1693 + 663Ar Ar 663 2.596 0.336 2.329 -0.1158 0.0553 0.1028 + 664Ar Ar 664 2.335 1.329 2.933 -0.0700 0.1647 -0.1085 + 665Ar Ar 665 3.487 1.678 1.468 -0.0212 -0.1540 -0.0581 + 666Ar Ar 666 1.352 2.096 1.421 0.1610 -0.0154 -0.0221 + 667Ar Ar 667 2.416 3.336 0.075 0.1424 0.0261 -0.2368 + 668Ar Ar 668 3.124 0.545 1.379 -0.0281 0.0461 0.0395 + 669Ar Ar 669 1.398 0.330 0.869 0.1979 -0.0368 -0.0404 + 670Ar Ar 670 0.938 1.408 2.321 -0.0710 0.0096 0.0360 + 671Ar Ar 671 0.731 2.553 2.919 0.2045 0.0786 0.0132 + 672Ar Ar 672 3.556 0.868 2.651 -0.1094 -0.0500 -0.1438 + 673Ar Ar 673 1.465 0.499 1.571 0.1007 0.1151 -0.1029 + 674Ar Ar 674 2.974 2.430 0.126 -0.0021 0.0189 -0.1230 + 675Ar Ar 675 1.845 2.004 2.295 0.1609 -0.0148 0.2274 + 676Ar Ar 676 3.321 1.586 0.217 -0.0019 0.0603 0.1291 + 677Ar Ar 677 1.471 1.159 1.967 0.1392 -0.1290 0.0723 + 678Ar Ar 678 0.257 0.901 3.396 -0.0274 0.1453 -0.1859 + 679Ar Ar 679 3.445 1.518 1.839 -0.1110 0.0524 -0.0267 + 680Ar Ar 680 2.164 0.815 2.503 -0.0010 0.1921 0.2051 + 681Ar Ar 681 1.457 0.849 1.758 0.0023 0.0509 -0.1451 + 682Ar Ar 682 0.569 1.047 3.536 0.0132 0.0991 0.1173 + 683Ar Ar 683 2.166 1.732 2.155 -0.1468 0.1264 -0.0295 + 684Ar Ar 684 0.697 2.855 2.399 -0.0864 0.2329 -0.1322 + 685Ar Ar 685 2.486 3.212 1.936 -0.0688 -0.0368 0.1738 + 686Ar Ar 686 1.475 0.845 2.804 0.0645 0.1293 -0.0899 + 687Ar Ar 687 2.372 1.352 2.060 0.1463 -0.3253 -0.0529 + 688Ar Ar 688 0.574 1.614 0.979 -0.0955 0.2386 -0.1232 + 689Ar Ar 689 2.084 0.260 0.516 0.0563 -0.2170 -0.0660 + 690Ar Ar 690 1.231 2.130 0.019 -0.0833 -0.0153 -0.1586 + 691Ar Ar 691 0.576 2.640 0.828 0.0849 -0.1335 0.1155 + 692Ar Ar 692 1.435 0.541 0.038 0.0493 -0.1423 -0.0307 + 693Ar Ar 693 1.545 3.437 2.839 -0.0988 0.2551 0.0430 + 694Ar Ar 694 1.983 3.196 3.021 -0.1118 0.0753 -0.1122 + 695Ar Ar 695 2.008 2.266 2.816 -0.2143 0.0288 -0.0012 + 696Ar Ar 696 0.937 1.444 0.352 -0.0375 0.0623 0.0323 + 697Ar Ar 697 3.415 0.759 2.007 -0.2309 0.0645 -0.1115 + 698Ar Ar 698 0.336 1.720 2.740 0.1692 0.1394 0.2058 + 699Ar Ar 699 2.449 2.990 0.141 -0.0950 0.0865 0.1591 + 700Ar Ar 700 2.070 1.978 0.526 -0.1478 -0.1481 -0.1441 + 701Ar Ar 701 0.890 2.154 1.011 0.0563 -0.0096 0.1342 + 702Ar Ar 702 1.527 0.932 3.146 -0.1334 -0.1138 0.0311 + 703Ar Ar 703 0.413 2.948 2.029 0.0789 -0.0638 -0.1219 + 704Ar Ar 704 3.208 0.917 1.641 0.0650 -0.0888 0.0520 + 705Ar Ar 705 0.134 0.453 0.915 -0.0135 -0.0766 -0.0070 + 706Ar Ar 706 0.744 0.124 0.052 0.1171 -0.2258 -0.0422 + 707Ar Ar 707 2.585 3.288 0.386 0.0814 0.0833 0.0589 + 708Ar Ar 708 3.189 0.752 2.589 0.0523 0.0354 0.0700 + 709Ar Ar 709 1.514 0.100 0.634 0.0101 -0.0911 -0.2152 + 710Ar Ar 710 2.502 2.761 2.651 -0.0364 0.1231 -0.0075 + 711Ar Ar 711 2.248 0.520 2.841 -0.1283 -0.0197 0.0343 + 712Ar Ar 712 0.249 1.968 2.429 -0.1366 -0.0460 0.1386 + 713Ar Ar 713 0.568 0.044 2.133 -0.0577 -0.0094 0.0275 + 714Ar Ar 714 3.542 3.444 3.069 0.0422 0.2595 0.1089 + 715Ar Ar 715 0.141 0.528 2.844 -0.1114 -0.0926 -0.1105 + 716Ar Ar 716 1.744 0.607 2.329 -0.0535 -0.1457 -0.1785 + 717Ar Ar 717 1.854 2.572 2.568 -0.2002 -0.0074 0.0083 + 718Ar Ar 718 3.246 0.514 0.742 -0.2139 -0.0367 -0.0758 + 719Ar Ar 719 3.124 1.943 1.355 0.1393 -0.0804 -0.1205 + 720Ar Ar 720 2.802 1.754 2.876 0.0648 -0.0225 -0.0500 + 721Ar Ar 721 0.988 2.930 1.593 0.1347 0.0417 0.0114 + 722Ar Ar 722 0.499 3.242 3.452 0.1884 -0.2762 -0.1183 + 723Ar Ar 723 1.770 3.564 0.164 -0.0602 0.1168 -0.0231 + 724Ar Ar 724 2.995 1.171 3.028 -0.1701 -0.1652 0.0867 + 725Ar Ar 725 2.403 1.264 1.047 -0.1303 0.0383 -0.1490 + 726Ar Ar 726 3.072 3.369 1.730 0.0595 0.0171 0.2187 + 727Ar Ar 727 0.080 3.514 0.216 0.0821 -0.0182 -0.0603 + 728Ar Ar 728 0.385 1.116 3.135 0.0562 0.0530 0.1483 + 729Ar Ar 729 1.035 0.810 0.520 0.1959 0.0768 -0.0347 + 730Ar Ar 730 1.413 1.190 1.019 0.0080 0.0629 0.0811 + 731Ar Ar 731 2.316 1.186 2.591 -0.0780 -0.4218 0.0010 + 732Ar Ar 732 1.194 1.119 0.366 0.0063 0.0724 0.0220 + 733Ar Ar 733 3.200 2.146 0.158 -0.1037 -0.1103 -0.1873 + 734Ar Ar 734 1.834 0.823 1.855 -0.3505 0.0959 0.0325 + 735Ar Ar 735 1.905 1.675 0.464 0.1006 0.0230 0.0819 + 736Ar Ar 736 3.016 0.454 2.819 0.0952 0.0597 -0.0847 + 737Ar Ar 737 2.209 0.402 0.214 -0.0129 -0.1006 -0.0938 + 738Ar Ar 738 0.176 0.542 3.558 -0.2058 -0.1293 -0.0038 + 739Ar Ar 739 0.242 2.631 1.657 -0.0107 -0.0272 0.1308 + 740Ar Ar 740 2.773 0.710 3.287 0.1126 -0.2569 0.1684 + 741Ar Ar 741 0.540 2.412 1.690 -0.0657 -0.3752 -0.0840 + 742Ar Ar 742 1.969 1.962 3.434 0.1564 -0.0855 -0.0301 + 743Ar Ar 743 2.370 2.995 0.502 0.1798 -0.0134 -0.0361 + 744Ar Ar 744 1.331 1.023 0.695 -0.0496 -0.1397 0.0530 + 745Ar Ar 745 2.164 2.625 2.704 0.1534 -0.0266 -0.1140 + 746Ar Ar 746 0.949 2.568 2.438 -0.2437 -0.1957 -0.0786 + 747Ar Ar 747 1.534 0.654 0.724 -0.1896 0.1632 -0.0778 + 748Ar Ar 748 2.162 3.424 3.262 0.1575 0.0200 0.0111 + 749Ar Ar 749 2.426 3.477 1.658 -0.0713 0.1503 -0.1882 + 750Ar Ar 750 3.425 1.872 1.935 0.0326 0.1396 -0.0322 + 751Ar Ar 751 2.966 1.418 1.187 -0.0955 -0.0277 0.1832 + 752Ar Ar 752 2.801 0.731 1.537 0.0297 0.1136 0.0286 + 753Ar Ar 753 2.808 2.620 1.157 -0.0007 -0.0767 0.0406 + 754Ar Ar 754 0.666 1.533 2.632 -0.3541 -0.0982 -0.1093 + 755Ar Ar 755 1.991 3.217 2.112 -0.2598 0.0511 0.1664 + 756Ar Ar 756 2.556 0.502 0.002 -0.0725 -0.1323 -0.0399 + 757Ar Ar 757 1.780 2.134 1.531 -0.0472 0.0012 0.1182 + 758Ar Ar 758 1.219 2.207 3.130 -0.1301 -0.2683 -0.0202 + 759Ar Ar 759 1.258 2.404 1.592 -0.0610 0.1576 -0.1650 + 760Ar Ar 760 3.541 2.409 1.522 0.1267 0.1176 0.1375 + 761Ar Ar 761 2.876 2.131 1.127 0.1406 0.0320 -0.0700 + 762Ar Ar 762 2.631 1.099 2.356 -0.1740 -0.1818 0.0859 + 763Ar Ar 763 2.978 3.293 1.282 -0.0273 -0.0813 -0.0471 + 764Ar Ar 764 0.345 3.022 1.255 0.0556 -0.0919 0.0191 + 765Ar Ar 765 2.061 1.980 1.395 -0.0964 0.1900 -0.1309 + 766Ar Ar 766 0.368 0.797 2.924 -0.0317 -0.3142 0.0918 + 767Ar Ar 767 1.395 0.928 1.342 -0.0559 -0.0524 0.1459 + 768Ar Ar 768 0.214 2.113 2.858 0.0313 -0.1329 0.1443 + 769Ar Ar 769 2.356 2.647 0.337 0.1371 -0.0011 0.3785 + 770Ar Ar 770 2.843 2.997 3.327 0.0031 0.0799 -0.1048 + 771Ar Ar 771 2.746 1.795 2.516 0.0276 0.1351 -0.0521 + 772Ar Ar 772 0.162 1.961 1.827 0.0796 0.1349 -0.0476 + 773Ar Ar 773 2.569 0.083 0.249 0.1596 -0.0253 -0.2815 + 774Ar Ar 774 2.851 3.394 3.216 -0.0163 -0.0715 -0.2841 + 775Ar Ar 775 1.338 1.804 3.319 0.0711 0.0408 0.0102 + 776Ar Ar 776 0.101 2.280 2.571 0.1865 0.2245 -0.0182 + 777Ar Ar 777 1.836 1.261 3.464 -0.0527 -0.1224 -0.1662 + 778Ar Ar 778 0.104 1.047 2.888 -0.0803 -0.0500 -0.0681 + 779Ar Ar 779 3.169 1.511 2.820 0.0601 -0.0997 0.0560 + 780Ar Ar 780 1.676 2.262 0.549 -0.0659 0.0657 -0.0176 + 781Ar Ar 781 1.519 2.199 2.151 -0.2041 -0.0305 0.0740 + 782Ar Ar 782 1.199 0.731 2.993 0.0161 -0.0180 -0.0354 + 783Ar Ar 783 3.397 2.696 2.225 -0.0028 0.0458 -0.0675 + 784Ar Ar 784 3.053 1.622 0.579 -0.1009 0.0654 0.0068 + 785Ar Ar 785 1.955 0.922 3.449 -0.0208 -0.1292 0.0462 + 786Ar Ar 786 1.224 0.835 0.105 -0.0624 0.1491 0.0527 + 787Ar Ar 787 1.575 0.070 3.191 0.0388 0.0418 0.1505 + 788Ar Ar 788 0.985 2.855 2.661 -0.1732 0.1264 -0.0179 + 789Ar Ar 789 2.991 1.674 0.954 0.1145 0.2045 -0.0664 + 790Ar Ar 790 0.747 0.446 3.523 0.2680 -0.0992 0.1758 + 791Ar Ar 791 2.715 2.076 2.798 0.3166 0.0267 0.1143 + 792Ar Ar 792 0.564 2.036 0.847 0.0982 0.0958 -0.1195 + 793Ar Ar 793 2.931 0.077 1.260 -0.3008 -0.0532 -0.0973 + 794Ar Ar 794 2.367 1.721 1.850 0.2513 0.0374 0.1095 + 795Ar Ar 795 0.224 1.583 1.596 -0.0384 0.1885 0.1138 + 796Ar Ar 796 0.811 3.555 1.784 -0.1603 0.0611 0.0179 + 797Ar Ar 797 3.297 1.922 0.475 0.1533 0.0145 0.1435 + 798Ar Ar 798 0.968 2.278 1.310 -0.0769 0.0843 -0.0480 + 799Ar Ar 799 0.297 2.723 3.134 0.2214 -0.1964 0.0675 + 800Ar Ar 800 2.608 2.163 2.445 0.0367 0.0319 -0.0689 + 801Ar Ar 801 3.252 0.128 2.297 0.0991 0.2132 -0.0627 + 802Ar Ar 802 1.540 3.200 2.576 -0.0579 -0.0160 -0.0040 + 803Ar Ar 803 3.004 1.289 0.351 -0.1422 -0.0967 -0.0550 + 804Ar Ar 804 1.880 0.898 1.216 0.0041 -0.0654 0.1336 + 805Ar Ar 805 2.954 2.239 1.525 -0.0780 0.2237 -0.1068 + 806Ar Ar 806 1.396 2.054 0.393 0.0497 0.0195 -0.0194 + 807Ar Ar 807 1.668 3.270 3.161 -0.0317 0.0066 -0.0718 + 808Ar Ar 808 0.402 1.905 1.564 -0.0689 -0.1103 -0.1521 + 809Ar Ar 809 1.917 2.212 0.234 -0.1871 0.2808 -0.1684 + 810Ar Ar 810 2.739 1.426 2.939 0.0863 -0.0569 -0.0266 + 811Ar Ar 811 2.679 1.542 1.990 -0.1167 0.0129 -0.0065 + 812Ar Ar 812 3.439 0.217 0.953 0.0220 0.0910 -0.1442 + 813Ar Ar 813 2.203 1.177 1.761 0.1087 -0.1590 0.0557 + 814Ar Ar 814 3.515 0.737 1.590 -0.1032 0.0572 0.1540 + 815Ar Ar 815 0.697 0.755 1.055 0.0163 -0.0436 -0.0455 + 816Ar Ar 816 0.637 2.054 3.381 -0.0901 -0.0691 -0.0871 + 817Ar Ar 817 3.371 1.720 3.095 -0.2461 -0.1080 -0.2110 + 818Ar Ar 818 0.172 1.621 2.055 0.0722 0.0319 -0.0308 + 819Ar Ar 819 1.988 0.169 3.601 0.0479 -0.0123 0.1888 + 820Ar Ar 820 1.784 1.124 0.909 0.0214 0.1567 0.1106 + 821Ar Ar 821 3.063 1.834 0.146 -0.1954 0.0993 -0.0809 + 822Ar Ar 822 1.111 0.491 1.479 -0.0714 0.1667 -0.0426 + 823Ar Ar 823 2.888 1.935 2.082 0.1052 -0.0152 0.0892 + 824Ar Ar 824 1.274 3.364 0.618 0.0472 -0.0540 -0.0503 + 825Ar Ar 825 2.080 1.886 2.591 0.0756 0.3237 -0.3281 + 826Ar Ar 826 0.452 0.837 2.451 0.1742 0.0771 -0.1302 + 827Ar Ar 827 0.462 1.644 1.316 0.0827 0.0295 0.1552 + 828Ar Ar 828 0.131 3.274 2.485 0.0502 0.1193 -0.0044 + 829Ar Ar 829 3.468 2.118 0.735 -0.1575 0.1995 -0.1459 + 830Ar Ar 830 1.697 0.185 2.668 -0.1938 0.0864 -0.0156 + 831Ar Ar 831 3.067 0.029 3.449 0.0117 0.0192 -0.2792 + 832Ar Ar 832 0.637 3.518 2.745 0.0128 0.3870 -0.0402 + 833Ar Ar 833 0.677 3.144 1.782 0.0738 0.0818 -0.1176 + 834Ar Ar 834 1.852 2.990 1.875 -0.2560 -0.0071 -0.0347 + 835Ar Ar 835 1.804 0.303 0.276 -0.0000 0.1503 0.2050 + 836Ar Ar 836 1.238 3.539 3.124 -0.0210 0.0214 -0.0183 + 837Ar Ar 837 1.980 2.228 3.187 0.1356 -0.0326 0.0494 + 838Ar Ar 838 1.736 0.944 2.524 0.0861 -0.0170 -0.0100 + 839Ar Ar 839 3.128 0.519 2.066 0.0215 -0.0969 -0.1539 + 840Ar Ar 840 0.779 1.421 3.589 -0.1704 0.1623 0.0859 + 841Ar Ar 841 0.745 2.955 1.090 -0.1408 0.0584 0.2012 + 842Ar Ar 842 1.552 2.405 1.848 -0.0662 -0.1401 -0.1137 + 843Ar Ar 843 1.993 1.912 1.740 0.1022 0.0693 -0.0275 + 844Ar Ar 844 3.156 0.121 1.708 -0.0460 0.0055 0.0721 + 845Ar Ar 845 2.558 2.120 2.008 0.1327 0.0666 -0.1623 + 846Ar Ar 846 2.162 1.522 2.497 0.0113 0.0506 -0.1237 + 847Ar Ar 847 3.585 2.426 2.281 0.0256 0.0456 0.0508 + 848Ar Ar 848 0.363 2.059 0.488 -0.0684 0.0713 -0.1086 + 849Ar Ar 849 2.615 3.474 2.649 -0.2128 0.1693 0.2120 + 850Ar Ar 850 0.747 1.727 0.294 0.1015 0.2522 0.1035 + 851Ar Ar 851 1.188 2.589 0.924 -0.0991 -0.0295 -0.1927 + 852Ar Ar 852 0.433 0.320 0.138 0.0504 -0.1763 0.0262 + 853Ar Ar 853 3.230 1.279 1.636 0.0666 0.3890 0.0794 + 854Ar Ar 854 0.963 3.027 2.281 0.1693 -0.1439 0.1259 + 855Ar Ar 855 3.420 0.857 0.453 0.1187 -0.0190 0.1430 + 856Ar Ar 856 2.790 1.654 3.261 0.1406 0.0405 -0.0947 + 857Ar Ar 857 0.707 1.071 0.841 0.1432 -0.2218 -0.0319 + 858Ar Ar 858 1.894 1.138 2.000 0.0306 -0.1464 -0.0993 + 859Ar Ar 859 3.600 3.161 2.779 0.0060 -0.0845 -0.1957 + 860Ar Ar 860 2.160 2.546 3.310 0.1273 -0.0906 0.0150 + 861Ar Ar 861 1.397 1.114 3.465 -0.0435 0.1052 0.1261 + 862Ar Ar 862 0.682 1.414 0.619 -0.0060 -0.1774 -0.0289 + 863Ar Ar 863 1.364 1.145 2.673 -0.0591 0.0320 -0.0604 + 864Ar Ar 864 1.680 2.033 2.741 0.1082 -0.0633 0.1235 + 865Ar Ar 865 0.300 0.246 1.768 0.1085 -0.0575 -0.0483 + 866Ar Ar 866 3.407 2.636 1.211 -0.0919 -0.1652 -0.1734 + 867Ar Ar 867 2.813 0.686 0.500 0.0069 -0.2243 -0.0732 + 868Ar Ar 868 1.934 2.337 1.214 0.2386 -0.0665 -0.1526 + 869Ar Ar 869 3.178 0.537 0.382 0.0196 -0.0758 0.2100 + 870Ar Ar 870 3.559 3.532 0.699 0.0242 0.1780 -0.1340 + 871Ar Ar 871 3.430 3.213 0.807 0.1798 -0.0931 -0.1151 + 872Ar Ar 872 2.482 1.696 3.093 -0.1004 0.0486 0.0212 + 873Ar Ar 873 0.752 1.212 1.257 -0.0612 0.1368 0.0033 + 874Ar Ar 874 2.091 0.989 0.822 -0.1168 0.0480 0.1565 + 875Ar Ar 875 1.096 2.843 0.685 -0.3223 -0.0083 0.1337 + 876Ar Ar 876 1.615 3.366 1.284 -0.0241 0.0218 -0.2187 + 877Ar Ar 877 0.918 3.370 2.102 0.1349 0.1097 -0.1295 + 878Ar Ar 878 2.862 2.246 1.852 0.0069 -0.1599 -0.0974 + 879Ar Ar 879 0.354 2.740 0.576 0.0642 0.0597 0.1775 + 880Ar Ar 880 0.314 0.313 1.349 0.0999 0.1193 -0.0280 + 881Ar Ar 881 2.905 0.406 1.687 0.1570 -0.0830 -0.1045 + 882Ar Ar 882 2.332 1.116 0.198 0.0460 -0.0227 0.1197 + 883Ar Ar 883 3.164 2.031 1.760 -0.0196 -0.1410 -0.1968 + 884Ar Ar 884 1.747 3.444 2.408 0.0070 -0.2927 -0.2340 + 885Ar Ar 885 2.019 2.296 1.693 0.1909 0.0688 -0.0108 + 886Ar Ar 886 1.476 2.539 2.290 0.0965 0.0470 -0.0368 + 887Ar Ar 887 0.579 3.601 0.367 0.0346 -0.2052 0.1341 + 888Ar Ar 888 1.226 2.630 2.067 0.0277 0.2064 0.1277 + 889Ar Ar 889 1.449 3.488 3.491 -0.0119 0.1044 -0.0575 + 890Ar Ar 890 0.199 2.296 1.942 0.1435 0.0585 -0.0376 + 891Ar Ar 891 1.851 0.382 2.937 0.1032 -0.1518 -0.0054 + 892Ar Ar 892 1.111 2.019 2.171 0.0524 0.1456 0.1270 + 893Ar Ar 893 1.560 0.539 2.653 0.1643 0.1943 -0.0692 + 894Ar Ar 894 2.189 1.620 1.545 0.0318 0.0060 -0.2620 + 895Ar Ar 895 2.309 0.215 1.825 -0.0071 -0.0990 -0.0949 + 896Ar Ar 896 2.791 0.784 2.636 -0.0696 0.0519 -0.0698 + 897Ar Ar 897 1.814 2.542 3.023 -0.0350 0.1868 0.0242 + 898Ar Ar 898 0.217 3.211 1.830 0.0930 0.0477 0.0412 + 899Ar Ar 899 2.619 2.160 0.384 0.0555 0.3349 0.1196 + 900Ar Ar 900 2.092 3.530 2.387 -0.1309 0.1131 0.1263 + 901Ar Ar 901 1.984 3.446 2.703 -0.0791 0.1158 0.0301 + 902Ar Ar 902 2.511 0.217 1.234 -0.1275 -0.0624 -0.0931 + 903Ar Ar 903 2.266 1.160 3.385 -0.0483 0.0482 -0.1521 + 904Ar Ar 904 3.535 1.571 2.775 0.1934 -0.0334 -0.0173 + 905Ar Ar 905 3.151 0.104 0.720 -0.1292 -0.1391 0.0424 + 906Ar Ar 906 3.378 3.418 2.705 -0.0376 -0.1216 0.1593 + 907Ar Ar 907 0.821 2.134 2.991 -0.0056 0.0986 -0.0294 + 908Ar Ar 908 2.351 0.100 2.525 -0.2708 0.0689 -0.0280 + 909Ar Ar 909 2.535 0.592 1.729 0.0003 0.3210 0.1223 + 910Ar Ar 910 0.939 0.265 2.508 -0.2724 -0.1622 0.2386 + 911Ar Ar 911 1.070 1.371 3.343 0.0404 0.0028 -0.3259 + 912Ar Ar 912 3.136 0.604 3.170 -0.1709 0.0287 0.0315 + 913Ar Ar 913 1.502 1.364 0.727 0.1463 0.2154 0.0173 + 914Ar Ar 914 1.682 3.031 1.160 -0.0881 0.1156 -0.1215 + 915Ar Ar 915 3.205 1.938 2.219 0.0125 -0.1178 -0.0009 + 916Ar Ar 916 2.750 3.308 1.579 -0.2106 0.1349 -0.0524 + 917Ar Ar 917 0.064 0.022 2.331 -0.0867 -0.1150 -0.0985 + 918Ar Ar 918 0.918 1.173 1.593 0.2260 0.0026 0.0914 + 919Ar Ar 919 2.249 3.500 2.910 -0.1040 -0.1037 0.0971 + 920Ar Ar 920 2.724 3.273 2.306 -0.1799 0.0855 0.1138 + 921Ar Ar 921 1.559 1.787 3.009 0.1196 -0.0030 -0.0573 + 922Ar Ar 922 2.121 1.380 0.818 -0.0007 -0.0014 -0.1010 + 923Ar Ar 923 2.501 2.225 3.070 0.0014 0.2253 -0.1658 + 924Ar Ar 924 2.126 0.603 1.664 0.1895 -0.1355 -0.1892 + 925Ar Ar 925 1.041 0.579 2.262 -0.0280 -0.0730 0.1079 + 926Ar Ar 926 2.959 2.173 2.495 -0.1200 -0.0367 0.1740 + 927Ar Ar 927 1.358 1.803 2.671 -0.0444 0.1219 0.0041 + 928Ar Ar 928 0.840 3.454 0.602 0.1284 -0.0361 -0.0550 + 929Ar Ar 929 3.196 0.264 3.051 0.1406 0.0773 -0.1499 + 930Ar Ar 930 1.882 1.647 0.861 0.1616 0.0951 0.3160 + 931Ar Ar 931 1.483 2.535 3.199 -0.0777 -0.1178 0.0000 + 932Ar Ar 932 1.992 2.489 0.497 0.0240 0.1104 0.0213 + 933Ar Ar 933 1.308 0.283 2.483 -0.1062 0.2287 0.1054 + 934Ar Ar 934 3.589 0.434 1.316 0.1296 -0.0400 -0.1231 + 935Ar Ar 935 0.062 2.997 2.199 0.0815 -0.1786 0.0436 + 936Ar Ar 936 2.704 2.413 2.123 -0.1875 -0.0555 0.0552 + 937Ar Ar 937 1.160 2.928 1.039 -0.1537 0.2320 0.1009 + 938Ar Ar 938 0.637 3.491 1.180 -0.2163 -0.0345 0.3803 + 939Ar Ar 939 1.090 3.595 2.744 0.2420 0.0122 0.0213 + 940Ar Ar 940 1.361 2.115 1.790 -0.1502 0.2283 -0.0529 + 941Ar Ar 941 2.951 1.465 3.535 0.0306 -0.1926 -0.0504 + 942Ar Ar 942 0.138 2.446 0.601 0.1539 0.1723 0.0450 + 943Ar Ar 943 2.964 0.844 2.335 -0.0715 -0.0026 0.0344 + 944Ar Ar 944 2.554 0.940 1.980 0.0590 0.0723 -0.1141 + 945Ar Ar 945 3.299 2.861 0.972 -0.1671 0.0214 0.0838 + 946Ar Ar 946 2.505 2.696 1.964 -0.1249 0.0062 -0.0073 + 947Ar Ar 947 3.586 2.093 2.160 -0.1459 0.0115 0.2626 + 948Ar Ar 948 0.489 1.989 0.168 0.0684 0.1009 -0.2220 + 949Ar Ar 949 2.417 3.392 0.707 -0.2037 -0.0883 -0.0027 + 950Ar Ar 950 3.283 2.453 3.111 0.0636 0.0365 -0.0012 + 951Ar Ar 951 0.260 2.954 2.807 -0.0673 -0.0027 0.1728 + 952Ar Ar 952 3.461 1.115 1.841 0.2205 -0.2288 -0.0450 + 953Ar Ar 953 0.715 2.334 0.120 0.2069 -0.0305 0.0542 + 954Ar Ar 954 2.006 2.309 2.429 -0.0562 -0.0542 -0.1536 + 955Ar Ar 955 2.632 3.092 2.677 -0.0554 0.2066 -0.0014 + 956Ar Ar 956 2.540 2.478 1.379 -0.0502 -0.1579 -0.0265 + 957Ar Ar 957 0.884 0.507 0.329 0.1433 0.2363 -0.1230 + 958Ar Ar 958 2.207 2.962 1.015 0.1051 -0.1189 -0.0338 + 959Ar Ar 959 2.744 3.140 0.029 -0.2092 -0.1575 -0.1241 + 960Ar Ar 960 0.394 2.632 2.408 -0.1073 0.0803 -0.0835 + 961Ar Ar 961 3.298 1.349 1.277 0.1538 0.0751 0.2256 + 962Ar Ar 962 0.134 0.266 0.282 0.0052 -0.0421 -0.2142 + 963Ar Ar 963 3.512 0.309 0.603 0.2339 0.0459 -0.2527 + 964Ar Ar 964 3.031 1.076 2.698 -0.0149 -0.1491 0.2765 + 965Ar Ar 965 0.894 2.735 2.074 0.0497 -0.0337 -0.0316 + 966Ar Ar 966 2.056 3.311 0.016 -0.3190 0.0500 -0.1000 + 967Ar Ar 967 2.953 2.775 0.077 0.0224 0.0231 0.2965 + 968Ar Ar 968 2.463 0.859 2.746 0.1434 -0.0219 0.0854 + 969Ar Ar 969 0.785 0.719 2.569 0.1223 -0.1746 0.2080 + 970Ar Ar 970 2.954 1.600 2.214 -0.1599 -0.0861 -0.1305 + 971Ar Ar 971 3.500 1.846 2.456 0.0441 -0.1390 0.1516 + 972Ar Ar 972 2.607 0.246 1.568 0.0165 0.0294 0.0480 + 973Ar Ar 973 1.841 0.451 1.352 0.0029 -0.0014 -0.0636 + 974Ar Ar 974 2.143 2.095 2.007 0.0623 0.0102 -0.1009 + 975Ar Ar 975 3.015 0.166 2.027 -0.2760 -0.0592 0.0546 + 976Ar Ar 976 0.931 2.251 1.709 -0.1253 -0.1941 0.0923 + 977Ar Ar 977 0.581 3.213 2.454 0.1995 -0.1519 0.1669 + 978Ar Ar 978 2.428 1.229 0.676 -0.0074 -0.1107 0.1154 + 979Ar Ar 979 2.487 0.530 2.597 0.2879 0.2925 -0.0226 + 980Ar Ar 980 0.326 2.981 1.631 0.0222 -0.1988 0.2455 + 981Ar Ar 981 0.647 2.915 0.203 0.0196 0.0446 -0.2525 + 982Ar Ar 982 1.771 0.654 0.330 -0.2170 0.2029 0.0248 + 983Ar Ar 983 3.346 3.217 1.903 -0.1742 -0.1313 -0.0241 + 984Ar Ar 984 0.404 1.955 2.108 -0.1568 -0.0933 0.0875 + 985Ar Ar 985 0.303 3.493 0.519 -0.0039 -0.1066 -0.0264 + 986Ar Ar 986 2.758 3.511 1.854 -0.0346 -0.0393 0.1708 + 987Ar Ar 987 3.329 3.580 0.064 0.0239 0.1952 -0.0056 + 988Ar Ar 988 3.521 0.784 0.864 0.0468 0.3864 0.1295 + 989Ar Ar 989 2.277 2.467 2.983 0.0598 -0.0338 0.0349 + 990Ar Ar 990 2.774 3.542 0.568 -0.1490 -0.1078 0.0888 + 991Ar Ar 991 0.603 3.227 3.036 -0.2297 0.1517 0.1230 + 992Ar Ar 992 2.875 2.702 0.807 -0.1195 0.0577 0.1683 + 993Ar Ar 993 0.246 0.357 2.172 -0.1017 -0.0287 0.0338 + 994Ar Ar 994 0.377 1.044 2.080 0.0693 0.0322 0.2409 + 995Ar Ar 995 3.296 1.334 3.507 0.0799 0.1269 -0.0277 + 996Ar Ar 996 0.947 2.336 2.074 -0.3576 -0.1489 0.0464 + 997Ar Ar 997 2.678 2.001 3.326 0.0401 -0.1351 -0.0390 + 998Ar Ar 998 3.015 2.602 1.925 -0.1011 -0.0314 0.1045 + 999Ar Ar 999 0.381 0.643 1.130 -0.0112 -0.1566 0.0948 + 1000Ar Ar 1000 2.823 2.100 0.049 0.0039 -0.3677 -0.1231 + 3.60140 3.60140 3.60140 diff --git a/data/md.mdp b/data/argon_1000/grompp.mdp similarity index 82% rename from data/md.mdp rename to data/argon_1000/grompp.mdp index e0dddb1..b347537 100644 --- a/data/md.mdp +++ b/data/argon_1000/grompp.mdp @@ -1,11 +1,17 @@ ; -; File 'mdout.mdp' was generated -; By user: bert (1001) -; On host: bertp3 -; At date: Sat Dec 4 13:41:42 2004 -; +; Generated by: +; Vitaly V. Chaban +; School of Chemistry +; University of Kharkiv +; Ukraine, Kharkiv-61077, Svoboda sq., 4 +; email: chaban@univer.kharkov.ua, vvchaban@gmail.com +; skype: vvchaban + +; System: Liquid argon (1000 atoms) at 80 K. Equilibrated for 500ps. ; VARIOUS PREPROCESSING OPTIONS +title = Yo +cpp = /usr/bin/cpp include = define = @@ -13,8 +19,8 @@ define = integrator = md ; Start time and timestep in ps tinit = 0 -dt = 0.002 -nsteps = 500000 +dt = 0.001 +nsteps = 250000 ; For exact run continuation or redoing part of a run init_step = 0 ; mode for center of mass motion removal @@ -26,12 +32,13 @@ comm-grps = ; LANGEVIN DYNAMICS OPTIONS ; Temperature, friction coefficient (amu/ps) and random seed +bd-temp = 300 bd-fric = 0 ld-seed = 1993 ; ENERGY MINIMIZATION OPTIONS ; Force tolerance and initial step-size -emtol = 10 +emtol = 100 emstep = 0.01 ; Max number of iterations in relax_shells niter = 20 @@ -43,53 +50,49 @@ nbfgscorr = 10 ; OUTPUT CONTROL OPTIONS ; Output frequency for coords (x), velocities (v) and forces (f) -nstxout = 1000 -nstvout = 1000 +nstxout = 500 +nstvout = 5 nstfout = 0 ; Checkpointing helps you continue after crashes nstcheckpoint = 1000 ; Output frequency for energies to log file and energy file -nstlog = 100 -nstenergy = 100 +nstlog = 50 +nstenergy = 50 ; Output frequency and precision for xtc file -nstxtcout = 500 +nstxtcout = 5 xtc-precision = 1000 ; This selects the subset of atoms for the xtc file. You can ; select multiple groups. By default all atoms will be written. xtc-grps = ; Selection of energy groups -energygrps = System - -; long-range cut-off for switched potentials -rlistlong = -1 -cutoff-scheme = Verlet +energygrps = ; NEIGHBORSEARCHING PARAMETERS ; nblist update frequency -nstlist = 50 +nstlist = 5 ; ns algorithm (simple or grid) ns_type = grid ; Periodic boundary conditions: xyz (default), no (vacuum) ; or full (infinite systems only) pbc = xyz ; nblist cut-off -rlist = 0.85 - +rlist = 0.9 +domain-decomposition = no ; OPTIONS FOR ELECTROSTATICS AND VDW ; Method for doing electrostatics coulombtype = Cut-off rcoulomb-switch = 0 -rcoulomb = 0.85 +rcoulomb = 0.9 ; Dielectric constant (DC) for cut-off or DC of reaction field epsilon-r = 1 ; Method for doing Van der Waals vdw-type = Cut-off ; cut-off lengths rvdw-switch = 0 -rvdw = 0.85 +rvdw = 0.9 ; Apply long range dispersion corrections for Energy and Pressure -DispCorr = Enerpres +DispCorr = EnerPres ; Extension of the potential lookup tables beyond the cut-off table-extension = 1 ; Spacing for the PME/PPPM FFT grid @@ -121,23 +124,25 @@ implicit_solvent = No ; OPTIONS FOR WEAK COUPLING ALGORITHMS ; Temperature coupling -Tcoupl = v-rescale +Tcoupl = berendsen ; Groups to couple separately tc-grps = System ; Time constant (ps) and reference temperature (K) tau_t = 0.1 -ref_t = 100 +ref_t = 80 ; Pressure coupling Pcoupl = no Pcoupltype = isotropic ; Time constant (ps), compressibility (1/bar) and reference P (bar) -tau_p = 0.5 +tau_p = 1.0 compressibility = 4.5e-5 ref_p = 1.0 +; Random seed for Andersen thermostat +andersen_seed = 815131 ; SIMULATED ANNEALING ; Type of annealing for each temperature group (no/single/periodic) -annealing = +annealing = no ; Number of time points to use for specifying annealing in each group annealing_npoints = ; List of times at the annealing points for each group @@ -147,8 +152,8 @@ annealing_temp = ; GENERATE VELOCITIES FOR STARTUP RUN gen_vel = yes -gen_temp = 100.0 -gen_seed = 173529 +gen_temp = 80 +gen_seed = 1993 ; OPTIONS FOR BONDS constraints = all-bonds @@ -195,6 +200,12 @@ orire-tau = 0 orire-fitgrp = ; Output frequency for trace(SD) to energy file nstorireout = 100 +; Dihedral angle restraints: No, Simple or Ensemble +dihre = No +dihre-fc = 1000 +dihre-tau = 0 +; Output frequency for dihedral values to energy file +nstdihreout = 100 ; Free energy control stuff free-energy = no diff --git a/data/argon_1000/mdbench_params.conf b/data/argon_1000/mdbench_params.conf new file mode 100644 index 0000000..ce32ff7 --- /dev/null +++ b/data/argon_1000/mdbench_params.conf @@ -0,0 +1,10 @@ +mass 39.94 +sigma 0.0062220 +epsilon 0.0000096960 +ntimes 1000 +dt 0.001 +temp 80 +x_out_freq 500 +v_out_freq 5 +cutforce 9.0 +reneigh_every 5 diff --git a/data/argon_1000/tprout.gro b/data/argon_1000/tprout.gro new file mode 100644 index 0000000..9a8465f --- /dev/null +++ b/data/argon_1000/tprout.gro @@ -0,0 +1,1003 @@ +Liquid Argon t= 0.00000 step= 0 + 1000 + 1Ar Ar 1 3.161 1.507 3.589 -0.2076 -0.0331 0.1963 + 2Ar Ar 2 2.972 2.939 3.571 -0.0834 -0.0094 0.1274 + 3Ar Ar 3 0.171 1.364 3.379 0.1166 0.1596 0.1128 + 4Ar Ar 4 0.894 0.204 3.400 -0.1628 0.2863 0.0459 + 5Ar Ar 5 2.097 1.272 0.595 -0.0759 -0.2286 -0.0196 + 6Ar Ar 6 2.396 2.819 0.859 0.1107 -0.1275 0.1943 + 7Ar Ar 7 1.538 2.853 1.546 -0.0848 0.0485 0.1283 + 8Ar Ar 8 2.039 0.943 2.889 0.0723 0.0016 0.0556 + 9Ar Ar 9 0.025 2.030 1.223 -0.0401 0.1031 0.0667 + 10Ar Ar 10 0.653 0.702 2.996 -0.0635 -0.2995 -0.0862 + 11Ar Ar 11 1.209 0.283 2.184 -0.2891 0.1274 0.1267 + 12Ar Ar 12 1.601 0.619 1.056 0.1424 0.0756 -0.1169 + 13Ar Ar 13 0.816 2.841 3.391 -0.1933 0.0264 -0.1790 + 14Ar Ar 14 0.961 2.271 1.165 -0.2691 0.1430 -0.3578 + 15Ar Ar 15 2.597 1.153 2.436 0.0647 -0.0108 -0.0259 + 16Ar Ar 16 3.349 2.336 3.395 -0.1020 -0.0443 0.1067 + 17Ar Ar 17 2.807 0.497 1.245 -0.1949 0.1338 -0.0851 + 18Ar Ar 18 3.072 0.866 1.759 -0.0330 -0.0052 0.2058 + 19Ar Ar 19 0.566 0.482 3.535 0.0822 0.0332 0.1710 + 20Ar Ar 20 2.572 2.246 0.510 0.0245 0.0659 -0.1134 + 21Ar Ar 21 2.095 0.926 0.595 0.1547 -0.0660 -0.0748 + 22Ar Ar 22 1.838 0.394 3.434 0.1326 0.1939 -0.1356 + 23Ar Ar 23 0.590 1.830 1.724 -0.1106 0.1640 -0.0314 + 24Ar Ar 24 2.655 1.276 1.385 0.1157 0.0254 0.0600 + 25Ar Ar 25 1.853 0.935 0.965 0.1645 -0.0784 -0.1693 + 26Ar Ar 26 0.973 3.021 1.295 -0.1100 -0.2028 0.0314 + 27Ar Ar 27 1.828 3.084 1.504 0.0408 -0.2611 0.0956 + 28Ar Ar 28 3.356 0.075 1.135 -0.0862 0.1050 0.0817 + 29Ar Ar 29 2.721 1.711 2.879 -0.0736 -0.1393 -0.1287 + 30Ar Ar 30 2.216 0.749 2.591 0.0289 0.0099 -0.1320 + 31Ar Ar 31 2.217 2.801 0.539 0.0979 -0.0979 -0.1352 + 32Ar Ar 32 1.761 2.729 2.946 -0.0719 0.0876 0.1672 + 33Ar Ar 33 0.482 0.276 0.842 0.0870 0.2160 0.0715 + 34Ar Ar 34 2.584 1.737 0.881 0.0246 -0.1130 0.0848 + 35Ar Ar 35 1.884 0.738 1.671 0.1664 -0.0999 -0.2275 + 36Ar Ar 36 0.923 0.285 0.921 -0.1191 0.0735 -0.0563 + 37Ar Ar 37 0.457 0.347 2.305 -0.1149 0.0088 0.1499 + 38Ar Ar 38 1.326 1.117 1.938 0.0157 -0.0015 -0.1339 + 39Ar Ar 39 2.666 1.158 0.088 0.1142 -0.0921 0.1525 + 40Ar Ar 40 1.549 3.361 1.606 -0.0506 -0.3284 -0.1914 + 41Ar Ar 41 2.575 2.657 0.511 -0.2025 0.0459 0.0121 + 42Ar Ar 42 1.079 0.398 0.394 0.0312 -0.0342 0.0006 + 43Ar Ar 43 2.772 2.026 2.475 0.0688 -0.0972 -0.1224 + 44Ar Ar 44 3.565 0.383 1.226 0.0689 0.1322 0.1582 + 45Ar Ar 45 2.862 1.271 2.733 -0.0174 0.0050 0.1577 + 46Ar Ar 46 0.630 0.719 2.614 0.3746 -0.1355 0.1783 + 47Ar Ar 47 2.026 1.138 1.939 -0.0639 -0.3574 -0.1643 + 48Ar Ar 48 0.230 1.360 1.281 0.0975 -0.0595 -0.0323 + 49Ar Ar 49 2.685 0.198 1.765 0.0779 -0.1276 -0.1076 + 50Ar Ar 50 3.135 2.499 1.412 0.1970 -0.0370 -0.0978 + 51Ar Ar 51 1.644 3.498 3.511 -0.1401 -0.2026 0.0574 + 52Ar Ar 52 3.444 0.562 2.356 0.0775 0.0510 -0.0386 + 53Ar Ar 53 0.413 0.166 0.468 0.1841 0.1273 0.0315 + 54Ar Ar 54 2.367 2.254 3.126 -0.1028 0.0540 -0.0544 + 55Ar Ar 55 2.639 0.817 0.735 -0.1191 0.1400 -0.0576 + 56Ar Ar 56 3.509 0.747 2.037 0.1616 -0.2072 0.1955 + 57Ar Ar 57 1.736 1.526 0.674 -0.0038 0.1801 0.1195 + 58Ar Ar 58 1.275 2.945 0.227 -0.0379 0.0500 -0.1117 + 59Ar Ar 59 2.261 2.759 1.988 -0.1749 0.0091 -0.0237 + 60Ar Ar 60 1.918 0.592 2.374 -0.0962 0.0345 -0.0838 + 61Ar Ar 61 0.045 0.064 1.389 -0.0146 -0.1068 0.0346 + 62Ar Ar 62 0.542 2.657 2.379 0.1037 0.0207 -0.1399 + 63Ar Ar 63 0.671 2.152 3.160 -0.0454 0.0405 0.0195 + 64Ar Ar 64 3.288 1.843 0.963 0.2429 -0.0195 0.1637 + 65Ar Ar 65 1.049 2.598 3.442 0.1397 -0.0563 0.0439 + 66Ar Ar 66 0.362 1.050 3.522 0.0260 0.2295 0.1521 + 67Ar Ar 67 2.059 1.505 1.236 0.2948 0.0113 -0.0614 + 68Ar Ar 68 0.014 0.055 2.885 0.0481 -0.0608 -0.0162 + 69Ar Ar 69 0.387 2.741 1.095 -0.0073 -0.0262 0.0021 + 70Ar Ar 70 3.591 1.045 3.431 0.0451 -0.2181 -0.0732 + 71Ar Ar 71 2.375 2.922 3.140 -0.0387 -0.1374 -0.1930 + 72Ar Ar 72 2.383 1.455 2.526 -0.0964 0.0840 -0.0766 + 73Ar Ar 73 3.110 2.479 1.054 -0.0742 -0.1602 0.0668 + 74Ar Ar 74 2.486 0.469 1.988 0.0814 0.3207 -0.3539 + 75Ar Ar 75 2.152 0.066 1.354 -0.0352 0.0618 0.0509 + 76Ar Ar 76 0.463 2.823 2.787 -0.0200 -0.0694 0.2516 + 77Ar Ar 77 3.306 0.830 1.051 -0.2639 0.1473 0.2049 + 78Ar Ar 78 3.318 0.036 3.052 -0.0370 -0.0790 0.0132 + 79Ar Ar 79 0.753 0.332 1.296 0.0942 -0.0041 0.3109 + 80Ar Ar 80 3.319 2.692 3.466 0.0404 0.1266 0.1175 + 81Ar Ar 81 1.629 1.271 2.101 0.0692 -0.0757 0.0910 + 82Ar Ar 82 3.411 3.392 1.354 -0.1225 -0.1951 0.0129 + 83Ar Ar 83 3.094 2.115 3.363 0.2094 -0.1681 -0.1720 + 84Ar Ar 84 0.616 0.735 2.260 0.0508 -0.1647 0.1475 + 85Ar Ar 85 0.914 0.366 3.091 -0.0545 -0.0375 -0.0839 + 86Ar Ar 86 2.380 0.107 2.846 0.1635 -0.1314 0.0883 + 87Ar Ar 87 1.875 2.978 0.506 -0.0983 -0.0929 -0.1107 + 88Ar Ar 88 0.479 3.000 2.472 0.0385 0.0858 0.2030 + 89Ar Ar 89 1.190 0.246 0.082 -0.0958 -0.0737 -0.1275 + 90Ar Ar 90 2.007 2.282 3.302 0.0545 0.0416 -0.0629 + 91Ar Ar 91 1.705 3.250 2.213 -0.0289 0.2877 0.2565 + 92Ar Ar 92 0.612 0.485 0.328 -0.0036 -0.0649 -0.1202 + 93Ar Ar 93 0.687 1.339 0.850 -0.0419 0.0793 -0.1445 + 94Ar Ar 94 1.349 3.137 2.148 0.0198 0.1407 -0.1080 + 95Ar Ar 95 1.933 0.031 0.611 0.1745 -0.1560 0.0785 + 96Ar Ar 96 1.597 2.878 2.270 0.0446 0.0046 -0.0291 + 97Ar Ar 97 1.640 1.585 2.716 -0.0103 -0.0280 -0.0986 + 98Ar Ar 98 1.448 3.199 3.541 -0.2412 0.0199 -0.0337 + 99Ar Ar 99 0.603 0.826 3.455 -0.0403 -0.0478 -0.0724 + 100Ar Ar 100 3.255 2.973 0.983 -0.0791 0.2482 0.1691 + 101Ar Ar 101 0.826 0.759 1.227 -0.1603 0.1224 -0.1128 + 102Ar Ar 102 2.188 2.578 1.684 0.0864 -0.1984 0.2827 + 103Ar Ar 103 0.271 0.630 1.009 -0.1867 0.1352 0.0679 + 104Ar Ar 104 2.639 1.420 0.313 -0.1076 0.0678 0.0146 + 105Ar Ar 105 0.061 3.428 0.946 -0.1418 0.0247 0.0737 + 106Ar Ar 106 0.318 2.257 1.944 0.0036 0.0676 0.0986 + 107Ar Ar 107 0.763 0.216 0.547 -0.0690 0.1277 0.0702 + 108Ar Ar 108 2.400 0.086 3.187 0.1881 0.0470 0.0056 + 109Ar Ar 109 1.134 0.261 1.493 0.1488 0.0800 0.0779 + 110Ar Ar 110 0.482 3.030 0.492 -0.1128 -0.1090 -0.1471 + 111Ar Ar 111 1.933 1.880 0.659 0.1881 -0.0703 0.0451 + 112Ar Ar 112 1.394 2.482 1.689 0.2671 -0.1408 0.0635 + 113Ar Ar 113 2.059 1.671 3.425 -0.1333 -0.1423 -0.1098 + 114Ar Ar 114 1.497 1.112 2.649 0.1181 -0.0161 -0.0651 + 115Ar Ar 115 2.985 0.468 0.874 0.0450 -0.1957 -0.0826 + 116Ar Ar 116 2.987 3.347 2.321 0.0418 -0.1750 0.0056 + 117Ar Ar 117 0.881 2.687 1.181 0.0766 0.1468 0.0905 + 118Ar Ar 118 1.122 2.078 0.108 0.0709 0.0764 -0.1587 + 119Ar Ar 119 2.520 2.455 0.802 -0.0733 -0.0368 -0.3079 + 120Ar Ar 120 1.246 1.965 2.708 0.0517 -0.1403 0.0576 + 121Ar Ar 121 0.905 2.630 2.254 -0.2998 0.2437 -0.1377 + 122Ar Ar 122 0.353 0.489 0.587 -0.0567 0.0802 0.0923 + 123Ar Ar 123 2.184 2.221 0.725 -0.0743 -0.2157 0.0248 + 124Ar Ar 124 2.831 2.127 0.071 -0.0545 0.1549 -0.0529 + 125Ar Ar 125 1.716 2.378 0.827 0.1838 -0.1588 0.0448 + 126Ar Ar 126 0.929 2.399 0.138 0.0913 0.1839 -0.1619 + 127Ar Ar 127 2.094 2.017 3.548 -0.3501 0.0475 -0.0104 + 128Ar Ar 128 0.953 1.377 2.421 -0.0506 -0.0135 0.0322 + 129Ar Ar 129 1.915 2.196 1.076 0.1029 -0.2563 0.0548 + 130Ar Ar 130 1.764 1.243 2.866 -0.1823 0.1558 0.0561 + 131Ar Ar 131 0.695 2.960 1.032 -0.0819 -0.0860 0.0841 + 132Ar Ar 132 2.499 3.301 2.994 -0.1072 -0.2147 -0.0993 + 133Ar Ar 133 2.108 0.408 0.385 0.0576 -0.1325 -0.1002 + 134Ar Ar 134 3.425 2.983 0.538 -0.2352 0.0421 0.0533 + 135Ar Ar 135 0.882 2.231 0.817 -0.0517 0.0412 0.1864 + 136Ar Ar 136 0.634 1.038 2.023 -0.2321 -0.0176 0.0583 + 137Ar Ar 137 3.476 2.362 1.346 -0.0430 0.0036 -0.3423 + 138Ar Ar 138 3.328 3.328 1.008 0.1642 -0.0360 -0.0665 + 139Ar Ar 139 3.529 1.915 1.995 -0.1702 0.0580 -0.0294 + 140Ar Ar 140 1.696 2.882 0.828 -0.0512 -0.0141 0.1090 + 141Ar Ar 141 2.488 1.282 2.810 -0.0510 -0.0329 0.0858 + 142Ar Ar 142 0.172 0.733 1.692 0.1203 0.1302 -0.1479 + 143Ar Ar 143 2.907 2.796 0.401 -0.2749 0.0801 0.0909 + 144Ar Ar 144 3.349 1.294 2.291 0.0836 -0.1956 0.1356 + 145Ar Ar 145 2.391 3.347 0.197 0.0559 -0.0111 0.0253 + 146Ar Ar 146 0.656 2.875 1.447 0.1155 -0.0465 -0.0316 + 147Ar Ar 147 0.608 1.462 0.217 -0.1350 0.1469 -0.0444 + 148Ar Ar 148 2.151 2.564 3.515 0.2204 -0.2594 0.1929 + 149Ar Ar 149 1.389 3.284 0.835 -0.0158 -0.1342 -0.1771 + 150Ar Ar 150 3.489 0.675 1.421 -0.0453 0.1526 -0.2483 + 151Ar Ar 151 2.479 3.119 1.317 0.0974 -0.0669 0.1702 + 152Ar Ar 152 0.146 2.923 2.193 0.0165 -0.2268 -0.0021 + 153Ar Ar 153 1.808 1.754 0.042 0.0577 0.0128 -0.0726 + 154Ar Ar 154 0.872 1.984 1.545 -0.2072 -0.0611 0.1409 + 155Ar Ar 155 1.841 2.258 1.461 0.1608 0.0512 0.0827 + 156Ar Ar 156 2.480 0.578 0.473 0.2117 0.0394 0.0686 + 157Ar Ar 157 2.450 0.508 1.067 -0.0157 0.1551 -0.1027 + 158Ar Ar 158 1.670 1.705 1.918 -0.0932 0.0346 -0.2258 + 159Ar Ar 159 2.514 1.789 2.616 -0.1766 -0.2620 -0.1040 + 160Ar Ar 160 0.748 0.066 1.528 0.1649 -0.1008 0.1833 + 161Ar Ar 161 2.393 2.786 1.472 0.1150 0.2104 -0.0974 + 162Ar Ar 162 3.445 1.552 1.458 -0.1088 -0.0271 0.0362 + 163Ar Ar 163 3.226 3.045 2.252 0.1223 -0.0837 0.0384 + 164Ar Ar 164 3.338 0.525 0.927 -0.0908 -0.2528 -0.1341 + 165Ar Ar 165 0.047 1.609 1.107 0.0966 -0.0378 0.0191 + 166Ar Ar 166 1.268 1.268 1.207 -0.1235 -0.0070 0.1579 + 167Ar Ar 167 0.612 1.826 0.316 0.0383 0.1562 0.1127 + 168Ar Ar 168 3.141 1.257 2.980 0.0596 0.0366 0.1946 + 169Ar Ar 169 0.867 3.153 1.660 0.0195 -0.0986 -0.0341 + 170Ar Ar 170 2.009 1.322 3.497 0.2338 -0.0309 0.1755 + 171Ar Ar 171 1.576 0.524 2.836 0.0351 0.0545 -0.0517 + 172Ar Ar 172 3.011 0.008 3.224 -0.0900 0.0966 0.0362 + 173Ar Ar 173 3.242 2.367 0.667 0.1776 -0.1600 0.1553 + 174Ar Ar 174 2.466 2.394 3.457 0.1713 0.1255 0.0986 + 175Ar Ar 175 3.456 2.092 2.714 0.0117 -0.0039 0.1631 + 176Ar Ar 176 3.164 0.188 1.806 -0.1121 -0.0707 -0.0496 + 177Ar Ar 177 3.274 0.852 3.423 0.1192 0.1896 0.0647 + 178Ar Ar 178 2.737 2.686 2.232 -0.1342 0.0011 0.0115 + 179Ar Ar 179 2.447 2.011 3.449 0.0338 -0.0045 -0.0453 + 180Ar Ar 180 0.111 1.018 3.012 0.0615 0.0821 -0.0494 + 181Ar Ar 181 2.062 2.734 2.345 -0.0855 0.1640 -0.0413 + 182Ar Ar 182 1.443 1.495 0.858 0.0653 0.0539 -0.1503 + 183Ar Ar 183 3.534 0.428 1.894 -0.1281 -0.0293 -0.0703 + 184Ar Ar 184 3.383 0.177 2.122 -0.0311 -0.0032 0.1268 + 185Ar Ar 185 2.557 0.519 1.644 0.0515 -0.2063 0.0515 + 186Ar Ar 186 3.533 0.494 0.606 0.0508 -0.2082 0.0492 + 187Ar Ar 187 3.502 1.336 3.009 -0.0307 -0.1166 -0.1392 + 188Ar Ar 188 2.810 2.500 1.830 0.1265 0.0813 0.1048 + 189Ar Ar 189 0.393 1.933 3.227 0.0745 -0.0709 0.0649 + 190Ar Ar 190 2.187 2.066 2.089 0.0163 -0.1462 0.0232 + 191Ar Ar 191 2.652 2.931 0.167 0.1271 0.1640 -0.0634 + 192Ar Ar 192 2.147 2.969 3.517 0.0328 -0.1151 0.0459 + 193Ar Ar 193 2.816 2.290 1.441 -0.0603 0.0289 -0.0006 + 194Ar Ar 194 3.489 2.277 1.781 -0.0660 -0.1584 0.0987 + 195Ar Ar 195 1.335 2.088 3.215 0.0945 -0.2615 0.0877 + 196Ar Ar 196 2.845 1.829 1.906 0.0860 0.0036 0.0341 + 197Ar Ar 197 2.042 1.766 2.038 0.0952 0.0227 -0.0705 + 198Ar Ar 198 3.566 0.678 3.185 -0.0419 -0.1831 -0.0190 + 199Ar Ar 199 1.393 1.427 2.322 -0.0843 0.1889 -0.0583 + 200Ar Ar 200 1.306 1.928 0.416 0.0462 0.1631 0.0345 + 201Ar Ar 201 3.052 2.687 2.446 0.0132 -0.2463 -0.0013 + 202Ar Ar 202 0.823 0.094 2.150 -0.0819 0.1328 0.1093 + 203Ar Ar 203 2.716 3.272 0.397 -0.3028 0.0645 0.0177 + 204Ar Ar 204 0.472 2.603 3.065 0.0577 -0.0719 0.1157 + 205Ar Ar 205 1.918 0.603 2.012 -0.1588 0.0157 0.0992 + 206Ar Ar 206 0.435 0.800 0.193 0.0370 0.0033 -0.0053 + 207Ar Ar 207 0.332 1.452 0.509 0.0303 -0.0204 -0.2241 + 208Ar Ar 208 0.848 2.239 2.266 0.1037 -0.0943 -0.0876 + 209Ar Ar 209 2.109 1.625 0.518 0.0297 0.0404 -0.0825 + 210Ar Ar 210 0.687 3.315 2.318 -0.3404 0.1529 0.1675 + 211Ar Ar 211 2.377 2.478 2.213 -0.1639 0.0065 0.0526 + 212Ar Ar 212 3.050 0.199 2.836 0.0007 -0.0376 0.0203 + 213Ar Ar 213 2.640 2.831 1.138 -0.0351 0.0049 -0.0092 + 214Ar Ar 214 1.187 0.552 0.868 0.1603 0.1454 -0.1341 + 215Ar Ar 215 2.871 2.742 0.895 -0.2425 -0.0856 -0.1150 + 216Ar Ar 216 3.190 1.792 1.641 0.1910 -0.1518 -0.0777 + 217Ar Ar 217 2.103 2.021 1.394 0.2906 -0.0636 -0.1298 + 218Ar Ar 218 1.505 0.488 0.686 -0.2508 0.0767 0.0599 + 219Ar Ar 219 1.230 2.286 2.086 0.0447 0.1297 -0.0434 + 220Ar Ar 220 1.282 2.328 3.526 0.0069 -0.0073 0.1487 + 221Ar Ar 221 1.416 2.643 3.212 -0.1460 0.0674 0.0284 + 222Ar Ar 222 0.693 0.039 2.466 -0.1093 -0.0004 -0.1421 + 223Ar Ar 223 2.714 2.964 0.696 0.1762 -0.0262 0.0835 + 224Ar Ar 224 2.836 1.096 0.914 -0.1173 0.0621 0.1373 + 225Ar Ar 225 3.411 1.115 2.724 0.0036 0.0545 0.1318 + 226Ar Ar 226 3.200 1.886 0.430 0.0057 -0.1280 0.1390 + 227Ar Ar 227 2.429 3.463 1.362 -0.0312 -0.1367 0.0006 + 228Ar Ar 228 2.379 1.081 0.738 -0.2348 -0.0460 -0.1089 + 229Ar Ar 229 3.267 3.194 2.584 0.0688 0.2070 -0.0419 + 230Ar Ar 230 0.327 0.108 3.069 0.0547 0.0429 0.1102 + 231Ar Ar 231 2.897 0.097 2.513 -0.1171 0.2262 0.2041 + 232Ar Ar 232 2.528 1.752 0.092 -0.1379 -0.1988 0.0371 + 233Ar Ar 233 2.017 0.027 2.716 0.2994 -0.0497 -0.1454 + 234Ar Ar 234 2.808 2.323 2.148 -0.0337 0.1404 -0.0720 + 235Ar Ar 235 3.387 0.782 0.162 0.1629 0.2030 0.0477 + 236Ar Ar 236 1.976 3.293 0.357 0.0112 0.0925 0.1872 + 237Ar Ar 237 2.071 2.432 1.993 0.3703 -0.1556 -0.0271 + 238Ar Ar 238 1.155 1.961 1.336 0.1709 0.0055 -0.1188 + 239Ar Ar 239 0.725 2.717 0.441 0.0670 0.0124 -0.0376 + 240Ar Ar 240 2.701 2.310 2.924 0.0178 0.0502 -0.0195 + 241Ar Ar 241 2.348 0.247 0.671 0.0376 0.0635 -0.0527 + 242Ar Ar 242 1.483 1.927 3.523 0.1487 -0.0160 0.0860 + 243Ar Ar 243 0.144 0.112 1.939 -0.0193 -0.0304 -0.1508 + 244Ar Ar 244 2.005 2.381 2.908 0.0616 0.2328 0.0300 + 245Ar Ar 245 2.065 3.321 2.438 -0.0159 0.0105 -0.0481 + 246Ar Ar 246 1.983 0.012 1.022 -0.0191 0.1014 -0.1172 + 247Ar Ar 247 0.588 0.052 1.177 0.0442 0.0512 0.3347 + 248Ar Ar 248 3.584 1.041 1.407 0.0286 0.1615 0.1539 + 249Ar Ar 249 1.270 0.556 1.842 0.0385 -0.0837 0.0352 + 250Ar Ar 250 0.990 1.503 2.070 0.1458 0.1591 0.0818 + 251Ar Ar 251 1.927 0.921 2.227 0.1248 0.1384 0.1133 + 252Ar Ar 252 0.071 1.038 0.171 0.2064 0.3173 0.0148 + 253Ar Ar 253 1.989 0.077 3.319 0.0845 -0.1681 0.0568 + 254Ar Ar 254 0.043 2.101 3.323 -0.1536 -0.1800 0.0831 + 255Ar Ar 255 2.233 2.438 0.450 0.0659 0.2619 0.2309 + 256Ar Ar 256 1.584 2.589 1.042 -0.0644 0.1906 -0.1137 + 257Ar Ar 257 3.443 0.936 1.734 0.0418 0.1121 0.1650 + 258Ar Ar 258 1.161 0.037 3.055 -0.0958 0.2037 0.1948 + 259Ar Ar 259 3.451 2.459 0.131 -0.0235 0.3083 -0.0473 + 260Ar Ar 260 0.567 2.757 0.079 0.0384 -0.1884 0.2084 + 261Ar Ar 261 0.833 1.853 3.263 -0.0481 -0.0143 -0.0058 + 262Ar Ar 262 0.161 1.579 1.783 0.1134 -0.1339 -0.0326 + 263Ar Ar 263 0.454 1.905 2.431 -0.0121 -0.2031 0.0374 + 264Ar Ar 264 0.289 1.368 0.124 -0.1334 -0.0003 -0.1356 + 265Ar Ar 265 1.873 3.168 0.024 -0.1928 0.0629 -0.0696 + 266Ar Ar 266 0.958 1.259 3.530 0.0970 0.1183 0.0005 + 267Ar Ar 267 0.914 0.590 1.545 -0.0883 0.0356 0.1545 + 268Ar Ar 268 1.138 1.882 3.432 0.2632 -0.0232 0.0307 + 269Ar Ar 269 1.979 0.974 1.290 0.1073 0.0390 -0.0058 + 270Ar Ar 270 3.517 2.096 0.071 -0.0780 0.2595 -0.0872 + 271Ar Ar 271 2.477 1.756 1.901 -0.0472 0.0943 0.0428 + 272Ar Ar 272 2.734 0.712 2.575 -0.1182 0.0994 -0.0600 + 273Ar Ar 273 2.228 2.879 1.162 -0.0388 -0.0994 -0.2149 + 274Ar Ar 274 0.668 1.579 0.594 -0.0712 0.0782 -0.2671 + 275Ar Ar 275 2.263 1.841 0.742 -0.1213 -0.0170 -0.1835 + 276Ar Ar 276 1.767 1.679 1.081 -0.1855 0.0620 -0.0798 + 277Ar Ar 277 0.423 1.196 3.101 0.0016 0.0293 0.0029 + 278Ar Ar 278 2.723 2.939 3.332 -0.1521 0.0121 0.0847 + 279Ar Ar 279 3.373 0.395 3.104 -0.0488 0.1189 -0.0404 + 280Ar Ar 280 1.479 2.222 0.197 -0.0646 -0.0028 0.0477 + 281Ar Ar 281 0.125 0.489 2.191 -0.2640 0.1906 0.2195 + 282Ar Ar 282 3.325 0.280 1.468 0.0391 0.0978 -0.0156 + 283Ar Ar 283 0.190 3.295 2.914 -0.0151 0.1247 -0.0288 + 284Ar Ar 284 2.978 1.121 1.303 0.1025 0.0088 0.0777 + 285Ar Ar 285 0.176 2.400 0.416 -0.0390 0.0143 0.0344 + 286Ar Ar 286 3.107 1.581 2.879 -0.1541 0.0521 0.2200 + 287Ar Ar 287 3.177 1.165 1.010 -0.0809 0.1163 0.0154 + 288Ar Ar 288 2.173 3.235 3.302 -0.0691 0.1508 -0.0320 + 289Ar Ar 289 0.255 3.123 0.758 -0.0274 0.0835 0.0747 + 290Ar Ar 290 0.389 1.741 2.053 0.1401 -0.0709 0.0330 + 291Ar Ar 291 0.786 1.366 2.902 -0.0103 -0.0430 0.1182 + 292Ar Ar 292 0.569 1.956 0.744 -0.0247 -0.0114 0.0359 + 293Ar Ar 293 1.812 2.937 1.138 0.0270 -0.0948 0.0567 + 294Ar Ar 294 0.230 2.110 2.644 0.0582 0.0305 -0.2103 + 295Ar Ar 295 0.707 1.644 2.530 0.1408 0.0549 0.0294 + 296Ar Ar 296 0.007 3.046 1.647 0.1804 -0.1290 0.1375 + 297Ar Ar 297 1.750 1.124 0.645 0.0557 0.0769 0.1111 + 298Ar Ar 298 1.094 1.801 2.363 0.0636 0.0939 0.0485 + 299Ar Ar 299 0.693 2.050 0.001 0.0704 0.2177 0.1562 + 300Ar Ar 300 1.530 2.130 0.540 -0.1751 0.0180 -0.1518 + 301Ar Ar 301 1.069 2.888 2.693 0.0537 -0.1822 0.0513 + 302Ar Ar 302 0.855 2.967 2.348 0.0492 -0.0101 0.0920 + 303Ar Ar 303 0.411 3.366 3.180 0.0281 0.0793 -0.1126 + 304Ar Ar 304 2.989 2.471 3.489 0.0881 -0.1037 -0.1290 + 305Ar Ar 305 2.878 1.421 1.038 -0.2376 -0.1537 0.0832 + 306Ar Ar 306 0.925 0.547 0.070 0.1513 0.0709 -0.0748 + 307Ar Ar 307 2.381 1.240 1.746 0.1612 -0.3095 -0.0565 + 308Ar Ar 308 0.811 1.996 2.615 0.2658 -0.0075 -0.0122 + 309Ar Ar 309 0.815 1.773 2.930 -0.0212 0.0814 0.0577 + 310Ar Ar 310 1.393 0.873 1.690 -0.1342 0.1786 -0.2315 + 311Ar Ar 311 2.393 1.060 2.068 0.1277 -0.2759 -0.1172 + 312Ar Ar 312 3.123 3.156 1.237 0.1560 0.0373 -0.0081 + 313Ar Ar 313 2.092 0.058 2.337 0.0617 0.1278 0.1928 + 314Ar Ar 314 0.567 2.071 2.099 -0.1341 -0.0560 -0.1274 + 315Ar Ar 315 1.364 2.206 0.863 -0.1843 -0.1806 0.0852 + 316Ar Ar 316 0.253 3.474 3.538 0.1073 -0.0953 0.0758 + 317Ar Ar 317 0.357 1.249 1.986 -0.0355 0.0017 -0.0473 + 318Ar Ar 318 3.541 0.774 2.786 -0.1340 0.1769 0.0404 + 319Ar Ar 319 2.937 1.775 1.156 -0.1955 -0.0357 -0.0324 + 320Ar Ar 320 1.953 1.645 1.513 0.1101 -0.1422 0.0880 + 321Ar Ar 321 1.084 0.018 2.436 0.0808 0.2549 -0.0897 + 322Ar Ar 322 2.648 1.612 1.310 -0.0903 -0.1061 -0.0864 + 323Ar Ar 323 2.128 0.563 3.309 0.1039 0.2050 0.3169 + 324Ar Ar 324 3.005 2.410 3.132 -0.1699 -0.1300 -0.0692 + 325Ar Ar 325 0.654 2.457 2.050 -0.1914 0.1498 -0.2411 + 326Ar Ar 326 2.010 1.673 2.994 -0.1386 -0.0633 -0.1127 + 327Ar Ar 327 0.371 0.825 3.172 0.0791 0.0115 0.0757 + 328Ar Ar 328 0.407 0.383 1.309 -0.0627 -0.1075 0.0287 + 329Ar Ar 329 1.266 1.799 0.814 0.0489 0.1908 -0.0105 + 330Ar Ar 330 1.319 1.675 2.018 -0.0999 -0.2241 0.0339 + 331Ar Ar 331 1.487 0.199 2.430 0.1145 -0.0533 -0.0382 + 332Ar Ar 332 1.570 3.219 0.294 0.0813 0.1322 0.0010 + 333Ar Ar 333 0.662 3.249 0.741 0.1052 -0.1293 -0.1524 + 334Ar Ar 334 0.009 0.143 3.574 -0.2325 -0.1921 -0.1702 + 335Ar Ar 335 2.443 3.532 0.508 0.0164 0.0209 -0.0816 + 336Ar Ar 336 1.803 1.224 2.394 0.1953 0.0278 0.0870 + 337Ar Ar 337 2.568 1.968 3.043 0.0096 -0.0318 -0.1440 + 338Ar Ar 338 2.222 3.060 0.285 -0.0245 -0.0289 0.1639 + 339Ar Ar 339 0.558 1.801 1.338 -0.1088 0.2009 0.1077 + 340Ar Ar 340 3.254 0.790 2.538 0.2556 0.0508 -0.1950 + 341Ar Ar 341 0.628 2.840 2.117 0.0647 -0.1121 0.1411 + 342Ar Ar 342 0.278 0.718 2.422 0.1045 -0.1141 -0.2529 + 343Ar Ar 343 1.523 2.177 2.445 0.2277 0.1442 0.0845 + 344Ar Ar 344 1.579 0.566 2.464 0.0719 -0.2395 -0.0883 + 345Ar Ar 345 2.738 0.227 3.470 0.1574 0.1180 0.0855 + 346Ar Ar 346 2.197 1.360 3.137 0.0836 0.1114 -0.0249 + 347Ar Ar 347 1.007 3.484 3.517 0.0325 0.0079 -0.0062 + 348Ar Ar 348 2.057 1.875 1.050 -0.0702 -0.0547 0.0547 + 349Ar Ar 349 0.109 0.345 1.562 -0.1134 -0.1061 0.0381 + 350Ar Ar 350 3.358 1.742 3.399 -0.1600 0.1668 -0.0795 + 351Ar Ar 351 0.942 0.814 2.394 0.0762 -0.0092 0.3039 + 352Ar Ar 352 0.081 1.186 0.514 0.0540 0.1980 -0.1611 + 353Ar Ar 353 3.254 3.180 1.624 -0.0043 0.0148 -0.0442 + 354Ar Ar 354 1.544 0.088 0.683 0.1937 0.1274 -0.0790 + 355Ar Ar 355 1.012 1.959 1.009 -0.0570 -0.2328 0.0908 + 356Ar Ar 356 0.933 2.827 0.121 0.1822 0.0706 -0.0160 + 357Ar Ar 357 2.929 0.584 0.518 -0.0648 -0.0419 0.0067 + 358Ar Ar 358 0.405 3.007 3.193 0.1395 -0.2010 -0.0462 + 359Ar Ar 359 1.628 2.845 0.287 -0.3722 -0.1855 -0.0659 + 360Ar Ar 360 1.754 3.540 2.387 0.0799 0.2486 -0.0243 + 361Ar Ar 361 0.118 0.430 2.589 0.1290 0.1407 -0.2994 + 362Ar Ar 362 0.691 0.069 3.020 0.2380 -0.0130 -0.1090 + 363Ar Ar 363 1.907 0.358 1.540 0.0290 -0.0317 -0.0510 + 364Ar Ar 364 2.125 3.343 0.791 0.0590 -0.2365 -0.0807 + 365Ar Ar 365 2.063 2.947 0.832 -0.0211 -0.0796 0.0572 + 366Ar Ar 366 0.345 3.055 1.473 -0.2889 0.0659 0.1109 + 367Ar Ar 367 0.812 0.420 2.424 0.0184 0.0209 0.1541 + 368Ar Ar 368 0.555 0.399 3.190 0.0616 -0.0219 -0.0179 + 369Ar Ar 369 1.902 3.515 3.018 0.0333 -0.0416 -0.0475 + 370Ar Ar 370 2.865 3.471 1.723 0.0132 0.0583 -0.0267 + 371Ar Ar 371 1.090 3.084 0.891 0.0433 0.1978 -0.0034 + 372Ar Ar 372 0.642 1.343 2.232 0.2452 0.1992 0.1127 + 373Ar Ar 373 2.897 1.015 2.072 -0.0605 -0.0813 0.1221 + 374Ar Ar 374 2.498 2.710 2.521 -0.1433 -0.0945 -0.0836 + 375Ar Ar 375 3.436 2.284 3.002 0.0503 -0.0996 0.2055 + 376Ar Ar 376 0.389 1.044 1.729 0.1513 0.1673 -0.0760 + 377Ar Ar 377 2.800 1.935 0.591 0.0451 0.1494 0.0156 + 378Ar Ar 378 3.573 3.455 2.617 -0.2521 -0.2549 0.0682 + 379Ar Ar 379 1.470 3.165 2.493 0.0803 -0.1071 0.0532 + 380Ar Ar 380 1.352 3.063 2.848 -0.1777 -0.0339 -0.1194 + 381Ar Ar 381 1.311 3.424 0.498 -0.0091 0.1574 -0.0041 + 382Ar Ar 382 1.885 3.528 1.600 0.1221 -0.0475 -0.0033 + 383Ar Ar 383 0.836 2.215 1.867 0.0460 -0.0285 -0.0237 + 384Ar Ar 384 2.954 0.822 1.102 0.0271 -0.0653 0.0370 + 385Ar Ar 385 2.386 2.988 2.320 -0.1206 0.2547 0.2074 + 386Ar Ar 386 2.675 0.408 0.692 -0.0618 0.0575 -0.0596 + 387Ar Ar 387 0.574 0.424 1.605 0.0048 -0.1032 -0.0726 + 388Ar Ar 388 2.958 1.969 2.920 -0.0598 -0.1222 0.0482 + 389Ar Ar 389 1.973 3.527 0.018 -0.3022 0.1035 0.1096 + 390Ar Ar 390 0.550 3.239 2.886 0.2168 -0.1148 0.1118 + 391Ar Ar 391 2.391 0.674 0.060 0.1544 0.2840 -0.1400 + 392Ar Ar 392 0.553 2.402 0.153 0.0259 -0.0252 -0.0998 + 393Ar Ar 393 3.096 3.440 0.064 0.0983 0.1794 0.2724 + 394Ar Ar 394 3.242 1.512 0.409 0.0976 -0.3219 -0.0396 + 395Ar Ar 395 2.176 2.402 2.495 0.1146 0.0567 0.1667 + 396Ar Ar 396 0.967 0.066 1.213 0.2534 -0.1131 -0.0916 + 397Ar Ar 397 1.273 2.835 2.371 0.2396 -0.1049 0.0179 + 398Ar Ar 398 3.055 3.099 0.307 -0.0260 0.0710 0.1758 + 399Ar Ar 399 2.966 0.689 2.316 -0.1065 0.0158 0.1634 + 400Ar Ar 400 2.452 0.289 1.379 -0.1415 0.0266 -0.0254 + 401Ar Ar 401 1.850 0.631 0.586 0.0629 -0.1869 0.2738 + 402Ar Ar 402 1.344 0.255 1.003 -0.0033 0.0459 0.1456 + 403Ar Ar 403 0.092 1.939 3.007 -0.1251 0.4639 0.1931 + 404Ar Ar 404 2.619 2.028 2.089 -0.0275 0.1658 -0.0690 + 405Ar Ar 405 0.055 1.242 1.662 0.3458 -0.1605 0.0641 + 406Ar Ar 406 1.326 3.302 1.854 -0.3869 0.0859 0.1940 + 407Ar Ar 407 1.081 3.256 0.233 0.0913 -0.0313 -0.0494 + 408Ar Ar 408 1.565 0.122 1.597 -0.0510 -0.0997 0.0162 + 409Ar Ar 409 1.935 1.442 2.120 0.0542 -0.3188 -0.1617 + 410Ar Ar 410 2.973 1.392 2.244 -0.0454 0.0198 -0.0650 + 411Ar Ar 411 3.384 2.688 1.118 -0.1567 0.2479 -0.0371 + 412Ar Ar 412 2.067 3.252 1.175 -0.0860 0.1285 0.1412 + 413Ar Ar 413 1.151 1.157 2.744 -0.0334 0.1777 0.0048 + 414Ar Ar 414 0.989 2.335 2.803 -0.0702 0.1907 -0.0140 + 415Ar Ar 415 3.484 1.639 2.768 -0.0807 -0.3070 -0.1561 + 416Ar Ar 416 2.791 1.125 1.658 0.1234 -0.0522 -0.0612 + 417Ar Ar 417 2.723 0.727 0.212 -0.1994 -0.0120 0.1608 + 418Ar Ar 418 0.144 3.407 1.636 -0.0882 -0.1296 0.1791 + 419Ar Ar 419 1.795 1.880 2.599 0.1262 0.1345 0.0684 + 420Ar Ar 420 1.822 0.610 0.213 -0.0798 -0.1552 -0.2573 + 421Ar Ar 421 3.197 2.400 2.140 -0.2327 0.1678 0.0633 + 422Ar Ar 422 1.499 3.023 0.588 -0.3558 -0.0303 0.2002 + 423Ar Ar 423 0.675 1.089 0.098 0.1326 0.0102 0.1502 + 424Ar Ar 424 3.253 1.158 3.595 -0.0958 -0.0448 -0.0461 + 425Ar Ar 425 0.031 1.385 2.624 -0.2921 -0.0978 0.0334 + 426Ar Ar 426 1.551 2.479 2.659 0.1904 -0.1743 0.0119 + 427Ar Ar 427 1.954 0.328 0.740 -0.0100 -0.0039 0.1775 + 428Ar Ar 428 1.745 3.385 1.309 0.1748 0.0836 0.0994 + 429Ar Ar 429 1.683 0.276 0.951 -0.1043 -0.0794 -0.0104 + 430Ar Ar 430 3.313 2.974 1.929 0.0744 -0.0137 0.0305 + 431Ar Ar 431 1.552 3.512 1.039 0.1777 0.0741 0.0197 + 432Ar Ar 432 3.051 0.065 2.094 -0.2046 -0.0165 -0.0911 + 433Ar Ar 433 0.219 1.819 0.311 0.0565 0.3042 0.2176 + 434Ar Ar 434 0.062 2.876 0.963 -0.2181 -0.0343 0.1739 + 435Ar Ar 435 0.733 1.070 3.244 -0.0377 -0.1777 -0.0391 + 436Ar Ar 436 2.259 2.060 0.429 0.0094 0.2951 -0.2070 + 437Ar Ar 437 2.178 0.298 3.595 -0.1677 -0.0002 0.0355 + 438Ar Ar 438 0.417 3.563 2.248 0.0881 0.1137 0.0571 + 439Ar Ar 439 2.411 1.300 3.467 0.0519 0.0987 0.0083 + 440Ar Ar 440 1.836 2.625 0.487 0.0474 -0.1461 0.0541 + 441Ar Ar 441 0.535 1.068 2.409 0.0333 -0.0199 -0.0518 + 442Ar Ar 442 3.401 2.246 0.391 -0.1489 0.1396 -0.0623 + 443Ar Ar 443 2.359 2.669 2.835 -0.0178 0.1844 -0.0326 + 444Ar Ar 444 2.379 3.174 0.987 -0.0771 0.0045 0.0997 + 445Ar Ar 445 1.465 2.568 0.559 0.0193 0.1268 -0.0325 + 446Ar Ar 446 1.821 2.113 2.118 -0.1380 -0.0951 -0.0347 + 447Ar Ar 447 2.280 1.739 2.275 -0.0943 0.0271 -0.0769 + 448Ar Ar 448 2.432 3.050 2.703 -0.1981 0.1845 0.0760 + 449Ar Ar 449 2.187 1.160 2.352 0.0610 0.1320 -0.1668 + 450Ar Ar 450 2.303 2.174 1.088 -0.1170 -0.1551 -0.0384 + 451Ar Ar 451 3.188 2.231 0.107 0.0026 0.0271 0.1202 + 452Ar Ar 452 3.480 2.640 0.411 -0.0450 -0.2368 0.0255 + 453Ar Ar 453 2.998 1.019 2.412 0.1433 0.1960 -0.0490 + 454Ar Ar 454 1.704 1.010 1.894 0.3886 -0.0004 -0.0172 + 455Ar Ar 455 1.908 1.290 1.453 0.1188 -0.0949 -0.0022 + 456Ar Ar 456 2.149 0.320 3.028 -0.0953 -0.0803 -0.1382 + 457Ar Ar 457 2.346 1.470 0.690 -0.0400 0.0923 0.0237 + 458Ar Ar 458 1.910 2.722 1.424 -0.0060 -0.0304 -0.0523 + 459Ar Ar 459 0.435 0.160 3.480 0.1353 -0.1169 -0.1601 + 460Ar Ar 460 3.062 2.786 3.184 -0.0151 0.1970 0.0239 + 461Ar Ar 461 1.555 2.598 0.028 0.1668 0.0958 -0.1532 + 462Ar Ar 462 2.592 3.321 2.453 -0.1315 0.0283 -0.0221 + 463Ar Ar 463 3.434 2.682 3.058 0.0697 0.2258 -0.0392 + 464Ar Ar 464 1.321 1.214 1.536 -0.0665 0.1419 -0.0243 + 465Ar Ar 465 1.594 0.321 1.956 -0.1626 -0.2423 0.1207 + 466Ar Ar 466 1.560 0.534 1.553 0.0292 -0.0248 -0.0065 + 467Ar Ar 467 3.164 3.183 0.715 0.0028 0.0760 0.0354 + 468Ar Ar 468 1.562 2.167 1.174 -0.1190 -0.0671 -0.0909 + 469Ar Ar 469 1.819 3.221 3.272 0.0169 0.0022 -0.0421 + 470Ar Ar 470 3.382 1.498 1.843 0.0169 0.1379 -0.2020 + 471Ar Ar 471 0.467 3.400 2.607 0.0540 -0.1247 -0.0154 + 472Ar Ar 472 0.079 2.508 2.799 0.3195 0.1031 0.1867 + 473Ar Ar 473 3.134 2.255 2.792 0.0176 0.1231 -0.0487 + 474Ar Ar 474 2.450 0.659 3.179 -0.2151 -0.1089 -0.0345 + 475Ar Ar 475 1.084 1.042 0.405 -0.0921 0.1384 -0.1053 + 476Ar Ar 476 2.305 1.639 1.469 -0.0910 -0.0401 -0.0695 + 477Ar Ar 477 2.647 2.792 1.864 -0.1682 -0.2735 0.1880 + 478Ar Ar 478 1.419 1.199 3.087 -0.0388 -0.1669 0.1019 + 479Ar Ar 479 2.386 1.785 1.165 0.0995 0.1415 0.1557 + 480Ar Ar 480 1.921 1.088 0.251 0.1423 0.1556 -0.1681 + 481Ar Ar 481 3.071 2.589 2.851 0.1571 -0.0939 0.0092 + 482Ar Ar 482 1.028 3.486 1.715 -0.1294 -0.1060 0.2192 + 483Ar Ar 483 0.080 2.754 0.052 0.1030 0.0012 -0.0665 + 484Ar Ar 484 3.545 0.927 2.425 -0.1121 -0.0504 -0.0233 + 485Ar Ar 485 0.989 2.222 3.403 0.0501 0.0945 -0.1851 + 486Ar Ar 486 1.398 2.894 1.002 0.0282 0.0330 -0.0764 + 487Ar Ar 487 2.162 0.324 2.530 0.0704 -0.3053 -0.0451 + 488Ar Ar 488 0.312 0.106 2.684 0.1521 -0.0215 0.0248 + 489Ar Ar 489 1.242 1.615 0.039 0.0725 0.0295 0.1768 + 490Ar Ar 490 0.460 1.290 2.678 0.0312 -0.1014 -0.0613 + 491Ar Ar 491 1.789 1.413 0.296 -0.2484 0.1378 -0.0678 + 492Ar Ar 492 0.528 3.093 3.541 -0.1944 0.2520 0.0733 + 493Ar Ar 493 3.411 2.090 2.382 -0.1450 -0.2235 -0.1062 + 494Ar Ar 494 3.291 0.004 0.747 0.0565 0.1280 0.1674 + 495Ar Ar 495 1.884 2.856 2.033 0.0306 0.1566 -0.0230 + 496Ar Ar 496 0.902 0.995 0.777 -0.1681 -0.0896 -0.0817 + 497Ar Ar 497 2.697 1.369 3.167 0.0143 0.1253 -0.0307 + 498Ar Ar 498 1.152 0.424 3.328 -0.2199 0.0568 -0.2255 + 499Ar Ar 499 1.754 2.630 1.721 -0.1290 -0.0045 -0.0346 + 500Ar Ar 500 2.132 3.267 1.703 -0.0124 -0.2204 0.1835 + 501Ar Ar 501 1.861 2.234 2.612 0.1297 -0.0552 0.1844 + 502Ar Ar 502 2.222 0.778 1.823 0.0143 0.0003 0.1324 + 503Ar Ar 503 1.477 3.406 3.027 -0.1838 -0.0699 -0.0471 + 504Ar Ar 504 1.571 1.734 1.541 0.0432 0.0921 0.0775 + 505Ar Ar 505 1.497 2.104 1.528 -0.0850 0.2276 0.0513 + 506Ar Ar 506 0.818 1.079 2.608 -0.0135 -0.0209 0.1312 + 507Ar Ar 507 2.405 2.222 2.724 0.1772 -0.1629 -0.3033 + 508Ar Ar 508 3.376 1.016 3.134 0.0007 0.0635 -0.0108 + 509Ar Ar 509 1.169 3.544 0.949 -0.0329 -0.2293 0.1249 + 510Ar Ar 510 1.238 0.506 2.985 0.1162 -0.0641 -0.0541 + 511Ar Ar 511 0.294 3.224 2.277 0.0313 -0.0612 0.0172 + 512Ar Ar 512 1.112 3.214 2.528 -0.1294 -0.0198 -0.0571 + 513Ar Ar 513 2.100 1.449 1.798 0.0630 -0.2204 0.0726 + 514Ar Ar 514 3.297 3.130 3.540 -0.1072 0.1063 0.0326 + 515Ar Ar 515 2.376 0.094 2.071 -0.2913 0.0922 -0.0977 + 516Ar Ar 516 1.900 0.927 2.574 0.0197 -0.1213 0.2280 + 517Ar Ar 517 0.128 3.144 0.384 -0.1323 0.0179 -0.0957 + 518Ar Ar 518 3.382 1.213 0.347 -0.0422 -0.0667 0.2053 + 519Ar Ar 519 2.833 3.108 1.025 0.1534 0.0338 -0.2753 + 520Ar Ar 520 3.338 1.856 1.311 -0.0611 -0.0797 0.0982 + 521Ar Ar 521 1.441 0.796 3.177 -0.0757 -0.0026 -0.0645 + 522Ar Ar 522 1.948 0.574 1.004 -0.0026 0.0853 0.0962 + 523Ar Ar 523 3.488 0.484 3.478 0.1299 0.2502 0.1293 + 524Ar Ar 524 3.510 2.594 0.789 0.2064 -0.0019 -0.0222 + 525Ar Ar 525 3.072 0.242 0.534 -0.0152 0.0662 -0.0702 + 526Ar Ar 526 3.090 3.338 2.970 -0.1898 -0.0733 -0.1186 + 527Ar Ar 527 1.085 2.970 1.982 0.0421 0.0207 -0.0596 + 528Ar Ar 528 2.775 2.830 1.462 0.0258 0.0935 -0.1032 + 529Ar Ar 529 0.077 2.501 1.071 0.1812 -0.0314 0.0802 + 530Ar Ar 530 2.727 2.457 1.116 -0.2159 -0.1218 -0.0303 + 531Ar Ar 531 2.425 3.102 0.557 0.0175 0.0226 -0.0532 + 532Ar Ar 532 1.934 2.020 2.931 0.0461 -0.0141 -0.0170 + 533Ar Ar 533 2.367 3.090 1.969 0.0191 0.0157 -0.0401 + 534Ar Ar 534 2.159 1.721 0.161 0.1748 0.0967 0.0333 + 535Ar Ar 535 1.613 2.282 3.403 0.0923 -0.1094 -0.2128 + 536Ar Ar 536 1.581 0.859 2.273 0.0299 0.0908 0.0560 + 537Ar Ar 537 1.216 3.165 1.524 -0.0619 -0.1090 0.1636 + 538Ar Ar 538 1.431 2.474 2.328 -0.0313 -0.0608 -0.0023 + 539Ar Ar 539 0.646 3.460 0.457 -0.0569 0.2106 0.2551 + 540Ar Ar 540 1.445 1.198 0.219 0.0836 -0.1230 0.0025 + 541Ar Ar 541 1.235 2.356 1.374 0.1547 -0.1765 0.0869 + 542Ar Ar 542 3.279 0.182 3.430 -0.0552 -0.1073 -0.0021 + 543Ar Ar 543 2.574 0.747 2.231 0.0055 -0.0916 0.0163 + 544Ar Ar 544 3.566 0.400 0.240 -0.0872 0.0454 -0.1099 + 545Ar Ar 545 2.696 0.371 3.135 -0.0864 -0.2889 0.1627 + 546Ar Ar 546 2.792 1.829 3.462 0.0487 -0.0086 -0.0178 + 547Ar Ar 547 1.214 0.819 2.688 0.0211 -0.0277 -0.1009 + 548Ar Ar 548 0.973 1.818 0.362 -0.1205 0.2604 0.0782 + 549Ar Ar 549 0.301 0.928 2.090 0.0483 0.1617 0.1898 + 550Ar Ar 550 0.942 3.370 1.396 -0.0079 -0.2206 0.0863 + 551Ar Ar 551 0.146 1.028 1.069 0.0631 0.0182 0.1232 + 552Ar Ar 552 2.852 3.031 2.242 -0.0847 0.0940 -0.2276 + 553Ar Ar 553 1.007 1.359 0.686 -0.0309 0.1388 0.0447 + 554Ar Ar 554 3.483 1.162 0.826 0.0143 -0.0774 0.0742 + 555Ar Ar 555 2.273 1.030 0.054 -0.0822 -0.1427 -0.0435 + 556Ar Ar 556 2.873 3.323 2.679 0.0553 -0.1011 -0.1250 + 557Ar Ar 557 2.922 0.778 3.235 0.0654 0.1554 0.0337 + 558Ar Ar 558 2.748 2.250 3.333 -0.1697 -0.1760 0.1986 + 559Ar Ar 559 0.355 2.715 0.352 0.1273 -0.0833 0.0470 + 560Ar Ar 560 3.049 0.920 0.348 0.1978 -0.0405 0.1258 + 561Ar Ar 561 3.263 1.222 1.588 0.0168 -0.1015 0.1570 + 562Ar Ar 562 0.904 1.882 0.705 -0.0814 -0.1817 0.1108 + 563Ar Ar 563 0.609 0.804 1.540 -0.0653 -0.1982 -0.1214 + 564Ar Ar 564 0.653 0.654 1.892 0.1571 0.3137 -0.1615 + 565Ar Ar 565 0.381 2.295 3.366 0.0816 -0.0136 0.0999 + 566Ar Ar 566 0.598 2.332 0.608 -0.0717 0.0927 0.0768 + 567Ar Ar 567 3.367 0.400 2.764 0.0022 -0.1343 -0.0033 + 568Ar Ar 568 3.217 0.491 0.305 -0.0027 0.0060 -0.0304 + 569Ar Ar 569 0.095 3.128 2.595 0.1462 0.0612 0.0494 + 570Ar Ar 570 2.474 0.058 2.524 -0.0725 0.1675 -0.1126 + 571Ar Ar 571 2.479 0.128 0.142 -0.0166 -0.1743 -0.0933 + 572Ar Ar 572 0.173 0.743 0.431 -0.0150 -0.1957 -0.1796 + 573Ar Ar 573 0.769 2.657 2.752 -0.2216 -0.2238 -0.0050 + 574Ar Ar 574 3.543 1.391 0.048 -0.1569 -0.1089 -0.0627 + 575Ar Ar 575 1.410 0.207 2.866 0.1800 -0.0501 -0.0248 + 576Ar Ar 576 0.461 2.831 1.747 0.0083 0.0387 -0.0210 + 577Ar Ar 577 0.386 0.091 1.506 -0.1100 0.0141 0.1322 + 578Ar Ar 578 0.405 3.439 0.973 0.1028 -0.0085 -0.1566 + 579Ar Ar 579 1.760 1.914 1.331 0.0027 -0.0907 -0.2281 + 580Ar Ar 580 3.282 3.073 3.176 -0.1620 0.2131 -0.0595 + 581Ar Ar 581 2.710 0.031 2.178 -0.1070 0.0185 0.0320 + 582Ar Ar 582 1.278 0.743 0.528 0.0379 0.0345 0.0225 + 583Ar Ar 583 2.703 3.471 1.091 0.1140 -0.1553 0.0436 + 584Ar Ar 584 2.999 1.458 1.428 0.0034 -0.0781 0.1385 + 585Ar Ar 585 0.210 0.459 3.305 0.2372 -0.0375 -0.0788 + 586Ar Ar 586 2.775 0.674 2.934 0.0116 -0.1370 -0.2825 + 587Ar Ar 587 1.160 0.868 1.074 -0.0057 -0.0626 0.0628 + 588Ar Ar 588 1.707 0.843 2.911 -0.1984 0.1372 0.0010 + 589Ar Ar 589 3.359 3.366 2.291 -0.1754 0.0011 0.1248 + 590Ar Ar 590 1.003 3.556 0.316 0.0509 0.0198 0.0150 + 591Ar Ar 591 2.501 1.126 1.103 0.3142 -0.1645 0.1682 + 592Ar Ar 592 1.502 1.752 3.215 -0.1007 0.1791 0.1575 + 593Ar Ar 593 2.960 2.238 0.417 0.0318 0.2070 0.0847 + 594Ar Ar 594 0.361 2.433 1.305 -0.0689 0.2809 -0.2326 + 595Ar Ar 595 0.434 1.786 2.805 -0.2101 -0.2448 0.0283 + 596Ar Ar 596 0.630 3.450 3.538 -0.1378 -0.1515 0.2340 + 597Ar Ar 597 1.802 3.237 1.843 0.0495 -0.1577 -0.2371 + 598Ar Ar 598 0.909 1.486 3.247 -0.1320 -0.0977 0.1259 + 599Ar Ar 599 1.065 2.555 2.547 -0.0300 0.0997 -0.1704 + 600Ar Ar 600 2.107 2.895 2.726 0.0226 -0.0726 -0.0134 + 601Ar Ar 601 1.172 2.573 0.947 -0.2260 -0.1345 -0.0697 + 602Ar Ar 602 2.195 2.351 1.402 0.0444 0.1011 -0.0529 + 603Ar Ar 603 1.749 3.103 2.911 0.1600 0.0789 -0.1827 + 604Ar Ar 604 2.756 1.092 0.521 0.2674 0.1569 -0.2202 + 605Ar Ar 605 2.067 3.107 2.161 0.1564 -0.0379 -0.1735 + 606Ar Ar 606 3.088 0.202 0.153 0.3275 0.1466 0.1106 + 607Ar Ar 607 1.721 3.352 0.637 0.0161 0.0305 -0.2111 + 608Ar Ar 608 0.684 1.143 1.641 -0.0326 -0.1029 -0.0316 + 609Ar Ar 609 2.140 0.365 2.139 -0.3886 -0.0423 0.1051 + 610Ar Ar 610 0.056 3.351 3.281 -0.0352 -0.0705 0.1726 + 611Ar Ar 611 1.205 0.590 2.367 0.1849 -0.1874 0.2239 + 612Ar Ar 612 1.992 2.765 0.186 -0.0858 0.1499 -0.1615 + 613Ar Ar 613 0.947 1.127 2.158 -0.0913 -0.0380 0.1596 + 614Ar Ar 614 2.461 0.897 2.815 0.0592 0.2666 0.2895 + 615Ar Ar 615 0.826 2.160 0.363 -0.2659 -0.1106 0.2257 + 616Ar Ar 616 2.367 3.561 0.959 -0.0068 -0.1378 -0.0628 + 617Ar Ar 617 3.354 3.295 0.329 -0.0443 0.0034 -0.1190 + 618Ar Ar 618 2.815 1.876 1.528 0.0226 -0.2305 -0.1154 + 619Ar Ar 619 0.165 1.046 2.650 0.0829 -0.2753 -0.0205 + 620Ar Ar 620 2.989 1.164 3.322 -0.1771 0.0739 -0.1224 + 621Ar Ar 621 0.822 2.574 3.105 0.0674 -0.0912 -0.0088 + 622Ar Ar 622 2.749 2.505 0.212 0.0104 -0.0714 -0.1909 + 623Ar Ar 623 0.345 3.082 1.086 -0.1886 0.0008 0.1573 + 624Ar Ar 624 3.441 1.740 2.399 -0.0028 0.0758 0.1764 + 625Ar Ar 625 2.475 1.789 0.439 0.0567 0.1015 -0.1284 + 626Ar Ar 626 2.335 3.522 3.464 0.1140 0.2017 0.0052 + 627Ar Ar 627 2.487 0.916 1.496 0.0772 0.2542 0.1549 + 628Ar Ar 628 1.743 0.296 0.456 0.0644 0.1816 -0.1944 + 629Ar Ar 629 0.005 2.519 3.307 0.1022 -0.0887 0.0070 + 630Ar Ar 630 3.188 2.974 2.849 -0.1204 -0.0256 -0.1683 + 631Ar Ar 631 1.394 0.231 0.387 0.0321 0.0812 -0.1329 + 632Ar Ar 632 1.301 3.556 1.408 0.0707 0.2053 -0.0982 + 633Ar Ar 633 0.720 0.156 0.169 0.2708 0.0568 0.1086 + 634Ar Ar 634 0.926 3.010 0.576 0.0768 -0.1058 0.0791 + 635Ar Ar 635 1.244 1.157 0.870 0.0260 0.0229 0.1186 + 636Ar Ar 636 0.424 3.337 0.193 -0.1140 0.0227 -0.0286 + 637Ar Ar 637 0.078 0.440 2.932 -0.0897 -0.1256 0.0493 + 638Ar Ar 638 3.314 2.857 0.157 0.0041 0.1307 0.1383 + 639Ar Ar 639 0.195 2.412 0.074 0.2559 0.0047 -0.0304 + 640Ar Ar 640 2.682 0.310 2.793 0.0690 0.1362 0.0470 + 641Ar Ar 641 3.132 1.949 2.621 -0.1450 -0.1640 0.1473 + 642Ar Ar 642 3.430 1.753 0.139 -0.0648 0.0351 -0.1788 + 643Ar Ar 643 0.641 1.452 1.233 -0.0645 0.0573 -0.1295 + 644Ar Ar 644 1.101 2.672 0.516 0.1161 0.0363 -0.0545 + 645Ar Ar 645 2.190 1.854 1.714 0.1801 -0.0293 -0.0952 + 646Ar Ar 646 3.408 2.295 0.957 0.0302 0.0956 0.1165 + 647Ar Ar 647 0.376 1.447 0.958 -0.0626 -0.1081 -0.1701 + 648Ar Ar 648 1.773 1.314 1.021 0.0611 0.1355 0.1605 + 649Ar Ar 649 0.145 2.707 1.837 0.1631 -0.0911 -0.0204 + 650Ar Ar 650 2.913 2.147 1.807 -0.0468 0.0473 -0.1096 + 651Ar Ar 651 0.561 1.558 3.091 0.0108 -0.1730 -0.1527 + 652Ar Ar 652 0.686 2.219 1.404 0.0862 0.0404 0.0488 + 653Ar Ar 653 1.615 2.526 1.378 0.0353 0.0260 -0.1338 + 654Ar Ar 654 1.377 2.663 2.005 -0.1674 0.0403 0.1364 + 655Ar Ar 655 0.402 2.206 0.984 -0.2786 -0.0894 -0.0755 + 656Ar Ar 656 1.534 3.082 1.295 0.0798 -0.0530 0.0053 + 657Ar Ar 657 1.865 2.601 2.621 -0.1627 -0.1787 -0.0750 + 658Ar Ar 658 2.522 2.090 0.168 -0.0046 -0.2403 0.0443 + 659Ar Ar 659 3.229 0.557 1.658 0.0742 0.0871 -0.2125 + 660Ar Ar 660 2.579 0.796 1.153 -0.1051 -0.2470 0.2690 + 661Ar Ar 661 1.186 0.323 2.603 -0.0658 0.0566 0.0852 + 662Ar Ar 662 2.868 2.481 0.652 0.0640 -0.0118 0.0964 + 663Ar Ar 663 3.012 0.211 1.250 -0.3524 -0.0587 0.1199 + 664Ar Ar 664 1.261 2.713 1.288 0.2218 0.1744 -0.0827 + 665Ar Ar 665 0.083 1.501 2.140 0.1136 0.0911 -0.1610 + 666Ar Ar 666 1.562 3.008 1.877 0.0103 0.0785 0.0306 + 667Ar Ar 667 2.255 0.053 1.696 0.0517 -0.0118 -0.2063 + 668Ar Ar 668 2.368 0.505 2.782 -0.3013 -0.0043 -0.0271 + 669Ar Ar 669 1.945 0.833 3.533 0.0611 -0.2487 -0.1382 + 670Ar Ar 670 1.046 0.981 1.479 0.0215 0.1682 -0.0282 + 671Ar Ar 671 0.129 2.451 1.574 0.1881 -0.1411 -0.3324 + 672Ar Ar 672 1.069 0.866 3.458 -0.0796 0.3079 -0.0560 + 673Ar Ar 673 1.715 1.810 2.267 0.0656 -0.1074 -0.0062 + 674Ar Ar 674 3.512 3.441 0.012 -0.0633 -0.0520 -0.0748 + 675Ar Ar 675 0.900 1.663 1.341 0.3033 -0.0370 0.1664 + 676Ar Ar 676 3.387 1.503 0.774 0.2511 0.1679 0.1181 + 677Ar Ar 677 0.171 2.052 2.221 -0.1018 0.0495 0.1108 + 678Ar Ar 678 0.824 0.828 0.285 0.1034 -0.5234 -0.0684 + 679Ar Ar 679 2.188 0.703 1.395 -0.0180 -0.1468 -0.0789 + 680Ar Ar 680 3.204 0.528 1.252 -0.1643 -0.0383 0.0527 + 681Ar Ar 681 1.887 0.265 0.148 0.0735 0.1394 -0.0940 + 682Ar Ar 682 0.037 0.813 0.828 -0.1127 0.0805 0.3419 + 683Ar Ar 683 1.482 2.084 1.880 0.2562 -0.0093 -0.2891 + 684Ar Ar 684 0.823 2.799 1.798 0.2250 0.1326 -0.1043 + 685Ar Ar 685 2.210 2.548 3.187 -0.1454 -0.0667 0.1273 + 686Ar Ar 686 0.685 2.430 3.414 0.2300 0.0607 0.1874 + 687Ar Ar 687 2.660 1.293 1.932 -0.0011 0.0055 -0.0661 + 688Ar Ar 688 1.757 1.419 3.179 0.1672 -0.0022 -0.1740 + 689Ar Ar 689 1.968 0.586 2.810 0.1262 0.1060 -0.0127 + 690Ar Ar 690 2.190 0.978 3.284 0.1368 0.1581 -0.0583 + 691Ar Ar 691 1.048 1.453 0.314 0.0983 -0.0351 -0.2884 + 692Ar Ar 692 1.218 3.325 3.259 -0.0022 0.0534 0.1818 + 693Ar Ar 693 1.496 3.064 3.205 -0.0169 0.0694 -0.0289 + 694Ar Ar 694 1.624 0.042 3.198 0.0249 -0.0701 -0.0982 + 695Ar Ar 695 0.129 1.786 3.506 -0.0112 -0.2089 0.1020 + 696Ar Ar 696 1.322 0.672 1.332 0.0690 -0.1931 0.0879 + 697Ar Ar 697 2.537 0.978 3.370 -0.0784 -0.0354 0.0784 + 698Ar Ar 698 3.021 1.994 2.213 -0.2170 0.0825 0.0107 + 699Ar Ar 699 3.018 0.399 3.255 -0.1023 -0.0591 -0.0989 + 700Ar Ar 700 1.008 2.073 3.027 0.1292 0.0929 0.0259 + 701Ar Ar 701 1.503 0.629 3.550 0.0065 -0.0443 0.1498 + 702Ar Ar 702 0.654 0.588 0.971 0.0434 0.0046 -0.0677 + 703Ar Ar 703 2.880 3.053 1.747 0.2641 -0.1161 -0.1252 + 704Ar Ar 704 2.455 0.957 0.380 -0.1979 0.2382 0.1169 + 705Ar Ar 705 0.222 0.189 1.082 -0.1852 0.1285 0.0827 + 706Ar Ar 706 0.913 0.881 1.843 -0.1004 -0.1292 0.0643 + 707Ar Ar 707 0.913 0.638 0.664 0.1022 0.0555 -0.1418 + 708Ar Ar 708 2.696 2.742 2.842 -0.2556 0.0155 0.0957 + 709Ar Ar 709 2.010 2.888 3.136 -0.0137 0.1171 -0.2202 + 710Ar Ar 710 0.907 0.586 2.777 0.0759 -0.0973 0.1130 + 711Ar Ar 711 2.816 0.378 2.160 0.2620 0.1151 -0.0363 + 712Ar Ar 712 3.326 0.813 0.536 -0.0472 0.0517 -0.2329 + 713Ar Ar 713 3.431 3.598 1.686 0.0097 -0.1741 0.0616 + 714Ar Ar 714 3.505 2.828 2.632 0.1070 -0.0864 0.0929 + 715Ar Ar 715 2.942 0.932 3.595 -0.1715 -0.0063 -0.0327 + 716Ar Ar 716 0.889 1.695 0.009 0.0796 -0.0158 -0.0069 + 717Ar Ar 717 0.209 1.491 2.906 -0.2296 -0.0377 0.1376 + 718Ar Ar 718 0.553 0.805 0.558 0.0298 -0.1566 0.0076 + 719Ar Ar 719 0.406 2.455 2.722 -0.1314 0.0279 -0.0217 + 720Ar Ar 720 2.081 2.204 1.716 0.0018 0.0138 -0.1882 + 721Ar Ar 721 3.198 2.728 0.605 -0.0887 -0.0701 -0.2979 + 722Ar Ar 722 1.531 0.991 1.083 0.0268 -0.0194 0.1135 + 723Ar Ar 723 0.704 0.008 0.802 -0.0518 0.1401 -0.0136 + 724Ar Ar 724 1.808 3.042 2.494 -0.0398 0.1342 0.0017 + 725Ar Ar 725 0.379 1.125 0.729 0.0224 0.3430 -0.0927 + 726Ar Ar 726 0.072 0.143 2.338 0.1310 -0.1142 -0.0430 + 727Ar Ar 727 0.376 1.107 0.357 0.1436 0.0822 0.2353 + 728Ar Ar 728 1.169 1.710 3.054 0.0141 -0.0497 0.0071 + 729Ar Ar 729 0.520 1.108 1.309 -0.1709 0.0209 -0.2167 + 730Ar Ar 730 3.136 1.249 0.660 -0.0294 -0.1148 0.1946 + 731Ar Ar 731 1.372 1.964 2.209 0.0805 0.0158 0.0519 + 732Ar Ar 732 1.254 1.579 1.337 -0.0729 -0.1356 -0.1018 + 733Ar Ar 733 2.322 3.358 2.186 0.0598 0.2615 0.0457 + 734Ar Ar 734 1.574 0.696 1.981 0.0690 -0.1913 -0.2924 + 735Ar Ar 735 0.852 0.339 1.802 -0.0313 0.0417 0.0018 + 736Ar Ar 736 2.811 3.049 2.988 -0.0796 0.1453 0.0376 + 737Ar Ar 737 1.524 0.888 0.751 0.1346 -0.1166 0.0964 + 738Ar Ar 738 1.327 2.258 2.876 0.0036 0.0366 0.2243 + 739Ar Ar 739 0.305 2.572 2.098 -0.1086 -0.0603 0.1148 + 740Ar Ar 740 1.525 0.424 3.264 0.1061 0.0583 -0.1706 + 741Ar Ar 741 1.317 0.086 1.854 -0.1384 0.2009 -0.0786 + 742Ar Ar 742 0.315 0.690 2.821 0.1027 0.1060 -0.1628 + 743Ar Ar 743 0.045 0.126 0.626 -0.1044 -0.1499 -0.3395 + 744Ar Ar 744 2.145 2.569 0.785 0.1302 -0.0569 0.0207 + 745Ar Ar 745 1.529 2.838 2.654 -0.2072 0.0661 0.0708 + 746Ar Ar 746 0.251 2.706 2.494 0.2273 -0.0965 -0.1703 + 747Ar Ar 747 2.349 1.436 2.121 -0.1462 0.3011 -0.0786 + 748Ar Ar 748 2.650 3.310 0.780 -0.0384 0.1263 0.1259 + 749Ar Ar 749 2.785 3.017 2.590 0.0221 0.0390 0.0221 + 750Ar Ar 750 2.273 1.167 1.333 0.0759 -0.1582 -0.0514 + 751Ar Ar 751 2.963 0.373 1.569 0.1225 -0.1211 -0.2407 + 752Ar Ar 752 3.119 3.557 1.493 0.1951 0.0550 -0.0514 + 753Ar Ar 753 1.898 2.304 0.488 0.1173 0.0578 -0.2211 + 754Ar Ar 754 1.693 2.867 3.445 0.0074 -0.0696 0.3590 + 755Ar Ar 755 2.143 3.198 2.921 0.0622 0.1546 -0.0278 + 756Ar Ar 756 1.752 1.069 3.236 0.1814 -0.0311 0.1409 + 757Ar Ar 757 1.768 1.976 1.703 0.1232 0.0119 -0.2008 + 758Ar Ar 758 1.033 1.949 2.030 -0.0261 0.0945 0.0960 + 759Ar Ar 759 0.700 2.042 1.080 0.0640 0.0674 -0.1564 + 760Ar Ar 760 1.340 3.511 0.109 -0.0598 -0.1387 -0.1296 + 761Ar Ar 761 0.003 2.959 3.311 0.1708 0.1012 -0.1501 + 762Ar Ar 762 2.917 1.679 0.356 0.0571 0.0435 0.1507 + 763Ar Ar 763 0.158 3.535 0.300 -0.1106 0.1400 -0.0935 + 764Ar Ar 764 2.439 2.096 1.471 -0.0712 0.0440 -0.0545 + 765Ar Ar 765 3.079 3.497 0.472 -0.0261 0.0865 0.1321 + 766Ar Ar 766 0.348 1.853 1.060 0.0285 0.2601 0.0083 + 767Ar Ar 767 2.214 0.715 2.172 -0.2984 0.2136 0.2082 + 768Ar Ar 768 0.542 0.985 2.846 -0.0955 0.1638 0.1017 + 769Ar Ar 769 0.931 0.538 2.095 0.1101 0.1399 -0.0697 + 770Ar Ar 770 0.094 2.907 2.927 -0.0435 -0.0166 0.0917 + 771Ar Ar 771 2.392 2.546 1.173 -0.2450 0.1108 -0.1474 + 772Ar Ar 772 0.312 2.053 0.032 0.0094 -0.2587 0.0386 + 773Ar Ar 773 3.280 3.408 3.325 0.0790 0.0334 -0.0401 + 774Ar Ar 774 2.754 0.364 0.305 0.0931 -0.1544 -0.0767 + 775Ar Ar 775 3.593 1.631 3.163 -0.0306 0.0330 -0.0048 + 776Ar Ar 776 3.307 1.827 3.016 0.1026 0.1043 0.0040 + 777Ar Ar 777 1.256 1.418 3.343 0.2875 -0.1461 -0.0889 + 778Ar Ar 778 0.415 2.279 2.378 0.1788 -0.0975 -0.0133 + 779Ar Ar 779 3.104 1.881 0.042 -0.0371 -0.0317 -0.0564 + 780Ar Ar 780 3.207 2.135 1.541 -0.0218 0.0591 -0.0515 + 781Ar Ar 781 0.332 2.096 1.378 -0.2790 0.0139 0.1557 + 782Ar Ar 782 0.992 3.451 0.646 -0.0058 0.0906 -0.1241 + 783Ar Ar 783 1.145 2.187 2.464 0.0550 0.0374 -0.0393 + 784Ar Ar 784 3.137 2.542 0.281 0.0016 -0.1280 -0.1312 + 785Ar Ar 785 3.210 1.503 1.163 -0.0318 -0.1422 0.1388 + 786Ar Ar 786 0.328 0.325 0.163 -0.0370 -0.0627 -0.1883 + 787Ar Ar 787 0.348 3.393 1.934 -0.1556 -0.0539 -0.0264 + 788Ar Ar 788 1.371 3.480 2.229 0.0382 -0.0645 0.1800 + 789Ar Ar 789 3.159 0.841 1.419 -0.0373 0.0041 0.0073 + 790Ar Ar 790 0.544 0.362 2.715 0.2388 -0.0577 -0.2881 + 791Ar Ar 791 2.033 2.014 2.388 0.0284 -0.0185 -0.0831 + 792Ar Ar 792 1.658 1.957 0.867 -0.1589 0.0529 -0.0198 + 793Ar Ar 793 0.360 0.497 1.886 -0.1269 0.1930 0.0571 + 794Ar Ar 794 1.221 0.807 2.065 -0.1720 0.0193 -0.0472 + 795Ar Ar 795 3.469 2.681 2.274 0.1133 -0.0084 0.0392 + 796Ar Ar 796 1.232 3.261 1.166 -0.0512 0.0645 -0.2033 + 797Ar Ar 797 2.784 3.257 0.050 -0.0072 0.1093 0.0771 + 798Ar Ar 798 1.799 0.292 2.202 -0.0718 -0.0024 0.0195 + 799Ar Ar 799 2.643 3.426 3.328 -0.0670 -0.1109 -0.0066 + 800Ar Ar 800 2.711 2.071 1.140 0.1632 -0.0888 0.0414 + 801Ar Ar 801 1.997 3.454 2.048 0.0689 -0.0662 -0.0162 + 802Ar Ar 802 2.739 3.293 1.990 -0.0668 0.0640 -0.0311 + 803Ar Ar 803 3.268 0.093 2.574 -0.0812 -0.0229 0.0969 + 804Ar Ar 804 0.942 1.602 1.730 0.0444 -0.0404 -0.0421 + 805Ar Ar 805 2.544 2.087 0.843 -0.0885 0.0115 0.1779 + 806Ar Ar 806 1.024 3.196 2.901 -0.1780 0.0500 -0.0694 + 807Ar Ar 807 1.315 1.123 3.483 -0.0553 -0.0271 -0.0082 + 808Ar Ar 808 1.182 0.195 0.674 0.1029 0.0452 0.1802 + 809Ar Ar 809 3.585 3.113 1.198 0.0863 -0.2494 0.0406 + 810Ar Ar 810 0.216 2.141 0.679 -0.1351 0.1066 0.0088 + 811Ar Ar 811 2.223 0.567 0.744 -0.0424 0.0556 -0.0632 + 812Ar Ar 812 3.596 3.246 2.017 -0.0835 -0.0808 -0.0232 + 813Ar Ar 813 0.973 1.322 1.422 0.1093 0.1230 -0.1598 + 814Ar Ar 814 0.542 0.146 1.872 0.0868 0.3049 0.0312 + 815Ar Ar 815 0.998 1.198 1.783 -0.0334 -0.1235 0.1850 + 816Ar Ar 816 1.027 3.092 3.503 0.0744 0.1899 0.0450 + 817Ar Ar 817 1.023 1.669 2.675 0.0313 -0.0494 -0.2763 + 818Ar Ar 818 3.134 2.425 1.778 -0.0737 0.1293 -0.1922 + 819Ar Ar 819 1.253 2.549 0.181 0.1613 -0.0621 -0.2655 + 820Ar Ar 820 3.039 0.869 0.753 0.1568 0.0479 -0.1603 + 821Ar Ar 821 0.001 1.581 0.481 -0.0417 -0.0796 -0.1744 + 822Ar Ar 822 3.013 0.960 2.812 -0.0382 -0.0244 0.0337 + 823Ar Ar 823 2.626 1.705 2.259 -0.0423 0.1231 0.0074 + 824Ar Ar 824 1.068 0.438 1.188 0.0272 -0.1215 0.2615 + 825Ar Ar 825 1.444 0.529 0.278 -0.1085 -0.0496 -0.0734 + 826Ar Ar 826 1.746 3.394 2.721 -0.2368 -0.1162 0.1483 + 827Ar Ar 827 0.638 3.231 1.250 0.0431 -0.0723 -0.0247 + 828Ar Ar 828 2.518 2.354 1.873 0.0377 0.1094 -0.0781 + 829Ar Ar 829 3.476 1.971 0.681 0.1616 -0.1037 0.1233 + 830Ar Ar 830 1.809 0.676 3.221 -0.0735 0.0435 -0.1678 + 831Ar Ar 831 2.657 0.559 3.451 -0.1312 -0.2407 0.1845 + 832Ar Ar 832 3.523 1.953 1.593 -0.0079 0.0132 0.0015 + 833Ar Ar 833 0.828 0.585 3.324 -0.0051 -0.0417 0.0114 + 834Ar Ar 834 0.842 3.276 3.223 0.0596 0.2206 -0.3349 + 835Ar Ar 835 2.142 2.911 1.703 0.0558 0.1952 -0.0739 + 836Ar Ar 836 3.046 2.814 2.059 -0.2680 0.0313 -0.0342 + 837Ar Ar 837 1.804 2.510 2.249 -0.0357 -0.2043 -0.0493 + 838Ar Ar 838 0.973 0.905 2.931 -0.0995 0.0481 -0.0326 + 839Ar Ar 839 3.350 2.468 2.534 -0.0650 0.0921 -0.0800 + 840Ar Ar 840 0.339 1.468 2.379 -0.1427 0.1851 -0.2411 + 841Ar Ar 841 1.820 2.572 3.330 0.1038 -0.0152 -0.0362 + 842Ar Ar 842 3.026 2.815 1.237 0.0117 0.2319 0.0274 + 843Ar Ar 843 2.118 1.200 1.024 -0.1173 -0.0710 0.0025 + 844Ar Ar 844 0.344 2.695 3.404 -0.0342 -0.2059 0.1215 + 845Ar Ar 845 1.680 1.025 1.468 0.1624 0.0123 -0.1261 + 846Ar Ar 846 1.572 1.996 2.916 -0.0167 0.0134 0.1658 + 847Ar Ar 847 1.938 2.061 0.254 0.0434 -0.0937 -0.0525 + 848Ar Ar 848 1.101 2.286 0.519 0.0318 0.0465 0.1197 + 849Ar Ar 849 3.173 3.323 1.918 0.0164 -0.0099 0.0799 + 850Ar Ar 850 0.457 1.684 0.032 -0.0947 0.0654 0.0008 + 851Ar Ar 851 1.337 2.822 3.491 -0.0916 -0.1633 0.0712 + 852Ar Ar 852 0.768 3.111 2.634 0.2057 0.1006 0.2004 + 853Ar Ar 853 0.513 2.734 0.727 -0.0318 0.1206 0.0839 + 854Ar Ar 854 1.363 3.510 2.657 0.2074 0.0089 0.0415 + 855Ar Ar 855 3.176 1.682 2.134 -0.0657 0.0303 -0.1413 + 856Ar Ar 856 1.667 3.554 0.331 0.0239 -0.0419 -0.0626 + 857Ar Ar 857 0.583 2.494 1.612 -0.1072 0.3207 0.2420 + 858Ar Ar 858 1.230 1.035 2.371 -0.0244 0.0067 0.1366 + 859Ar Ar 859 2.821 0.737 1.520 0.1000 0.1451 -0.0565 + 860Ar Ar 860 1.128 2.975 3.186 0.1199 0.1400 -0.2485 + 861Ar Ar 861 1.616 0.853 0.370 0.0378 -0.0269 0.0778 + 862Ar Ar 862 2.544 2.458 1.529 -0.1326 -0.0751 0.1275 + 863Ar Ar 863 1.536 0.224 3.588 0.2212 0.0370 -0.0514 + 864Ar Ar 864 1.167 2.185 1.702 0.0767 0.1461 0.0894 + 865Ar Ar 865 1.107 1.552 1.040 0.0402 0.1230 -0.0029 + 866Ar Ar 866 3.376 0.046 0.380 0.1634 0.0166 -0.0938 + 867Ar Ar 867 2.658 0.224 0.989 -0.3116 -0.1174 0.2210 + 868Ar Ar 868 2.397 2.675 0.204 0.2812 0.1015 -0.0525 + 869Ar Ar 869 2.274 1.336 0.281 -0.0279 -0.0882 0.1294 + 870Ar Ar 870 0.523 3.328 1.612 -0.3924 -0.1608 -0.1628 + 871Ar Ar 871 2.052 1.522 0.866 -0.1013 -0.2004 -0.2465 + 872Ar Ar 872 3.086 2.771 1.665 -0.0112 -0.0310 0.0364 + 873Ar Ar 873 1.653 1.870 0.310 -0.1214 0.0594 0.0361 + 874Ar Ar 874 2.663 1.370 0.748 -0.1295 0.0727 -0.0258 + 875Ar Ar 875 2.776 3.576 0.274 0.1593 0.0011 -0.0706 + 876Ar Ar 876 2.141 0.040 0.322 0.0496 0.0901 0.1185 + 877Ar Ar 877 0.644 2.482 0.960 0.1391 -0.0993 0.2632 + 878Ar Ar 878 2.972 2.018 0.896 0.1445 -0.0841 -0.0184 + 879Ar Ar 879 3.014 1.547 3.227 -0.1878 -0.0336 -0.0674 + 880Ar Ar 880 1.531 0.278 1.291 0.0938 -0.0654 0.0042 + 881Ar Ar 881 1.612 1.291 3.474 0.2127 0.0483 -0.1278 + 882Ar Ar 882 1.405 1.735 2.496 -0.0487 -0.1942 0.1213 + 883Ar Ar 883 3.485 1.304 1.141 0.0424 0.1900 -0.2365 + 884Ar Ar 884 2.491 3.430 1.782 -0.1986 0.2865 0.0927 + 885Ar Ar 885 1.650 1.355 1.742 -0.1611 -0.0757 0.1895 + 886Ar Ar 886 2.303 3.389 2.692 0.0659 0.0566 -0.0324 + 887Ar Ar 887 0.178 0.735 3.559 -0.1396 0.1644 -0.0882 + 888Ar Ar 888 1.565 1.430 1.396 -0.0455 -0.3564 -0.0681 + 889Ar Ar 889 1.793 0.277 2.970 0.1856 -0.0569 0.2547 + 890Ar Ar 890 0.276 2.484 0.785 -0.2231 0.0442 -0.0374 + 891Ar Ar 891 1.026 3.331 2.181 0.0100 0.0730 -0.0565 + 892Ar Ar 892 3.000 1.517 1.822 -0.0516 -0.2302 0.1803 + 893Ar Ar 893 2.143 1.281 2.741 -0.1263 -0.1190 -0.0675 + 894Ar Ar 894 1.274 2.639 2.874 -0.0181 -0.0110 0.0477 + 895Ar Ar 895 2.114 1.029 1.628 0.0232 -0.0050 0.1273 + 896Ar Ar 896 2.648 1.557 1.665 -0.0360 -0.0165 -0.0104 + 897Ar Ar 897 1.621 2.411 1.987 -0.0627 0.0274 0.1969 + 898Ar Ar 898 0.618 0.924 0.948 -0.1395 -0.0865 0.0905 + 899Ar Ar 899 3.067 1.636 0.699 -0.0119 0.0477 -0.1282 + 900Ar Ar 900 2.442 2.746 3.410 -0.0533 0.0358 -0.1464 + 901Ar Ar 901 0.902 0.208 2.734 0.2267 -0.1066 0.2528 + 902Ar Ar 902 3.532 3.385 0.615 0.0154 0.0584 0.0343 + 903Ar Ar 903 2.480 1.637 3.301 -0.0734 0.0639 -0.1779 + 904Ar Ar 904 0.127 1.764 2.576 0.1946 0.1297 0.1737 + 905Ar Ar 905 0.939 2.448 1.533 0.0146 0.0495 0.0088 + 906Ar Ar 906 0.324 3.464 0.629 -0.0103 0.0022 -0.1037 + 907Ar Ar 907 3.216 0.678 2.948 -0.0416 -0.0332 -0.2372 + 908Ar Ar 908 2.127 0.744 0.288 0.1733 -0.3077 -0.0109 + 909Ar Ar 909 1.818 0.673 1.340 0.0464 -0.1248 -0.0683 + 910Ar Ar 910 0.640 1.453 1.882 0.0886 -0.0334 0.0066 + 911Ar Ar 911 0.857 2.759 0.800 0.2817 0.0316 -0.1302 + 912Ar Ar 912 0.451 1.429 1.570 0.0166 0.1343 0.0756 + 913Ar Ar 913 2.356 1.440 1.071 -0.1523 -0.0786 0.0419 + 914Ar Ar 914 2.211 0.447 1.683 0.0376 -0.1399 -0.0441 + 915Ar Ar 915 3.254 0.921 2.187 -0.1009 -0.1388 -0.0309 + 916Ar Ar 916 3.419 3.250 2.901 0.0593 -0.2495 0.0733 + 917Ar Ar 917 3.125 0.327 2.347 0.1482 -0.0508 -0.0544 + 918Ar Ar 918 1.273 1.854 1.654 0.0958 -0.0237 -0.1622 + 919Ar Ar 919 1.833 1.938 3.307 -0.0235 -0.0397 0.1318 + 920Ar Ar 920 0.086 2.371 2.439 0.1122 0.0079 0.0470 + 921Ar Ar 921 2.836 3.292 1.428 0.0872 -0.0546 0.0137 + 922Ar Ar 922 2.661 2.579 3.182 -0.0141 -0.2705 -0.0222 + 923Ar Ar 923 0.585 3.108 1.907 -0.0260 0.0677 -0.2085 + 924Ar Ar 924 2.618 0.855 1.832 -0.3410 -0.0398 0.1285 + 925Ar Ar 925 0.289 3.400 1.304 0.0859 -0.0361 0.1603 + 926Ar Ar 926 3.020 2.289 2.436 -0.0107 0.0660 -0.0245 + 927Ar Ar 927 0.250 2.287 3.015 0.0064 -0.1054 -0.0882 + 928Ar Ar 928 2.182 1.850 2.702 0.0015 -0.1387 0.0023 + 929Ar Ar 929 3.111 0.545 3.587 0.2616 0.0512 0.0054 + 930Ar Ar 930 2.243 1.917 3.145 0.1040 -0.1430 0.0500 + 931Ar Ar 931 0.412 2.141 0.352 0.0447 0.1262 0.1010 + 932Ar Ar 932 2.167 0.328 1.064 -0.0553 -0.1215 0.1272 + 933Ar Ar 933 1.064 1.145 3.154 0.0630 -0.0605 -0.1320 + 934Ar Ar 934 1.398 1.812 1.132 0.0550 0.0187 -0.2072 + 935Ar Ar 935 0.148 1.734 1.408 -0.0499 -0.0398 -0.0941 + 936Ar Ar 936 2.720 2.443 2.588 -0.0866 0.1377 -0.1448 + 937Ar Ar 937 0.889 3.361 1.022 0.1575 0.0138 -0.0871 + 938Ar Ar 938 0.138 2.800 1.368 -0.0089 -0.1108 -0.2721 + 939Ar Ar 939 0.828 3.451 2.760 0.0725 0.2115 -0.0204 + 940Ar Ar 940 0.237 1.910 1.778 -0.2096 0.1167 0.0877 + 941Ar Ar 941 2.202 2.275 0.139 -0.0136 0.1227 -0.2262 + 942Ar Ar 942 3.358 1.363 3.323 -0.1092 -0.1581 -0.1094 + 943Ar Ar 943 2.531 0.441 2.446 -0.0153 0.0445 -0.1282 + 944Ar Ar 944 3.224 1.378 2.605 -0.3016 -0.1350 0.0370 + 945Ar Ar 945 1.143 2.417 3.133 0.0244 -0.2419 -0.1028 + 946Ar Ar 946 2.945 3.244 3.306 -0.0433 0.2442 0.1972 + 947Ar Ar 947 2.725 1.012 3.050 -0.1840 0.0512 -0.0873 + 948Ar Ar 948 1.316 1.584 0.534 -0.0191 -0.1970 0.1573 + 949Ar Ar 949 2.223 0.872 0.989 -0.1421 0.1043 -0.1207 + 950Ar Ar 950 3.580 2.322 2.104 -0.1361 0.2200 0.1221 + 951Ar Ar 951 2.970 1.298 0.220 -0.2332 -0.1033 0.1012 + 952Ar Ar 952 0.209 1.712 0.746 0.0173 -0.0370 -0.1232 + 953Ar Ar 953 0.739 1.183 0.520 0.0093 0.2086 -0.1077 + 954Ar Ar 954 1.197 2.779 1.649 -0.2285 -0.0219 0.0404 + 955Ar Ar 955 2.540 3.071 1.662 0.0277 0.2342 0.0495 + 956Ar Ar 956 2.780 0.035 0.684 -0.0762 0.1435 -0.1631 + 957Ar Ar 957 0.730 1.727 2.181 0.0544 -0.1586 0.0487 + 958Ar Ar 958 1.069 2.522 1.861 -0.1738 -0.3001 0.0474 + 959Ar Ar 959 1.747 3.244 0.965 -0.0269 -0.1564 -0.1799 + 960Ar Ar 960 3.230 2.078 1.936 -0.0175 -0.0207 -0.0871 + 961Ar Ar 961 2.003 1.614 2.477 0.0541 0.1606 -0.1923 + 962Ar Ar 962 0.725 2.948 3.045 0.0928 0.0328 0.0830 + 963Ar Ar 963 1.307 0.056 3.381 0.1154 -0.1814 0.2449 + 964Ar Ar 964 2.746 3.600 2.948 -0.0053 0.0209 0.0630 + 965Ar Ar 965 1.649 3.566 1.960 0.1452 0.2605 -0.3129 + 966Ar Ar 966 3.036 0.475 2.628 0.3746 -0.0772 0.0980 + 967Ar Ar 967 2.461 3.129 3.491 0.2113 0.0729 -0.1311 + 968Ar Ar 968 1.276 0.849 0.177 -0.2162 -0.0017 -0.3343 + 969Ar Ar 969 0.011 0.163 3.221 -0.2072 0.0370 0.0358 + 970Ar Ar 970 0.909 1.185 1.105 0.0998 0.0810 0.1569 + 971Ar Ar 971 2.740 1.471 3.544 0.1475 -0.0443 0.0039 + 972Ar Ar 972 1.832 2.430 0.179 -0.0910 -0.1722 0.1601 + 973Ar Ar 973 2.858 0.577 1.866 -0.0117 -0.0546 0.2320 + 974Ar Ar 974 1.336 1.499 1.685 0.0334 -0.0115 -0.1401 + 975Ar Ar 975 0.741 3.432 1.924 0.2331 0.1295 -0.1583 + 976Ar Ar 976 1.647 2.360 2.993 0.0887 -0.0768 0.1074 + 977Ar Ar 977 0.132 3.105 3.595 -0.0902 0.0014 -0.0381 + 978Ar Ar 978 3.017 3.480 0.936 0.2026 -0.0883 0.0499 + 979Ar Ar 979 1.823 0.303 2.602 0.2356 -0.0883 0.1035 + 980Ar Ar 980 3.331 2.870 1.419 -0.2123 -0.2986 0.3314 + 981Ar Ar 981 2.364 1.600 2.927 0.0310 0.1667 -0.0435 + 982Ar Ar 982 0.757 1.668 0.960 -0.1116 0.1448 0.0700 + 983Ar Ar 983 0.751 3.097 0.268 -0.1206 0.2437 -0.1303 + 984Ar Ar 984 3.102 2.142 1.195 -0.0077 0.0301 -0.0756 + 985Ar Ar 985 0.729 2.393 2.536 0.0121 -0.1420 -0.0194 + 986Ar Ar 986 3.170 1.201 1.964 -0.0708 -0.2678 0.1669 + 987Ar Ar 987 0.601 1.383 3.426 -0.1480 0.2026 0.0811 + 988Ar Ar 988 0.244 0.768 1.339 0.0113 0.0684 0.0475 + 989Ar Ar 989 2.412 2.102 2.416 0.1467 0.1143 -0.2749 + 990Ar Ar 990 3.521 1.211 2.001 0.0893 -0.2018 0.0671 + 991Ar Ar 991 3.367 2.632 1.926 -0.2483 -0.0111 0.1853 + 992Ar Ar 992 1.961 0.195 1.913 -0.2395 -0.0185 0.0111 + 993Ar Ar 993 2.729 0.023 1.455 -0.1969 -0.0366 0.2670 + 994Ar Ar 994 0.184 1.165 2.311 -0.0632 -0.0250 0.1945 + 995Ar Ar 995 2.924 1.626 2.536 -0.0485 -0.1447 -0.1049 + 996Ar Ar 996 0.540 2.149 2.810 0.2438 -0.1201 -0.0719 + 997Ar Ar 997 1.627 0.952 3.584 0.0257 -0.0702 0.1281 + 998Ar Ar 998 0.139 2.797 0.613 -0.0840 -0.1227 -0.0901 + 999Ar Ar 999 3.211 0.557 2.078 0.0884 -0.0392 -0.0500 + 1000Ar Ar 1000 1.966 2.590 1.117 0.2346 0.1271 -0.0735 + 3.60140 3.60140 3.60140 diff --git a/data/argon_start.pdb b/data/argon_start.pdb deleted file mode 100644 index 67c4263..0000000 --- a/data/argon_start.pdb +++ /dev/null @@ -1,106 +0,0 @@ -HEADER Argon -REMARK THIS IS A SIMULATION BOX -CRYST1 77.395 77.395 77.395 90.00 90.00 90.00 P 1 1 -MODEL 1 -ATOM 1 Ar Ar 1 51.580 69.230 34.130 1.00 0.00 -ATOM 2 Ar Ar 2 28.910 66.340 7.590 1.00 0.00 -ATOM 3 Ar Ar 3 43.560 29.320 14.140 1.00 0.00 -ATOM 4 Ar Ar 4 9.020 58.720 19.380 1.00 0.00 -ATOM 5 Ar Ar 5 0.740 15.940 73.580 1.00 0.00 -ATOM 6 Ar Ar 6 61.740 19.620 38.910 1.00 0.00 -ATOM 7 Ar Ar 7 4.440 73.250 49.010 1.00 0.00 -ATOM 8 Ar Ar 8 34.310 35.210 17.110 1.00 0.00 -ATOM 9 Ar Ar 9 27.610 62.240 49.370 1.00 0.00 -ATOM 10 Ar Ar 10 52.470 36.570 24.330 1.00 0.00 -ATOM 11 Ar Ar 11 35.610 40.470 4.600 1.00 0.00 -ATOM 12 Ar Ar 12 11.400 68.530 42.650 1.00 0.00 -ATOM 13 Ar Ar 13 13.360 1.500 72.280 1.00 0.00 -ATOM 14 Ar Ar 14 4.230 22.000 53.780 1.00 0.00 -ATOM 15 Ar Ar 15 43.640 36.730 12.010 1.00 0.00 -ATOM 16 Ar Ar 16 57.390 12.970 74.670 1.00 0.00 -ATOM 17 Ar Ar 17 69.190 24.990 30.900 1.00 0.00 -ATOM 18 Ar Ar 18 8.850 24.190 29.720 1.00 0.00 -ATOM 19 Ar Ar 19 38.950 11.010 71.210 1.00 0.00 -ATOM 20 Ar Ar 20 22.040 2.130 40.060 1.00 0.00 -ATOM 21 Ar Ar 21 5.560 68.420 72.650 1.00 0.00 -ATOM 22 Ar Ar 22 38.530 5.580 63.860 1.00 0.00 -ATOM 23 Ar Ar 23 71.740 31.640 51.650 1.00 0.00 -ATOM 24 Ar Ar 24 63.710 0.640 0.450 1.00 0.00 -ATOM 25 Ar Ar 25 74.000 36.690 65.680 1.00 0.00 -ATOM 26 Ar Ar 26 28.380 38.890 26.020 1.00 0.00 -ATOM 27 Ar Ar 27 34.970 2.100 27.840 1.00 0.00 -ATOM 28 Ar Ar 28 66.720 45.290 70.950 1.00 0.00 -ATOM 29 Ar Ar 29 12.190 55.640 4.650 1.00 0.00 -ATOM 30 Ar Ar 30 19.770 21.860 47.230 1.00 0.00 -ATOM 31 Ar Ar 31 54.140 73.290 39.340 1.00 0.00 -ATOM 32 Ar Ar 32 8.120 34.660 17.400 1.00 0.00 -ATOM 33 Ar Ar 33 16.830 34.030 48.550 1.00 0.00 -ATOM 34 Ar Ar 34 13.390 74.450 6.500 1.00 0.00 -ATOM 35 Ar Ar 35 71.740 3.340 39.860 1.00 0.00 -ATOM 36 Ar Ar 36 30.550 22.140 36.270 1.00 0.00 -ATOM 37 Ar Ar 37 6.670 48.980 36.060 1.00 0.00 -ATOM 38 Ar Ar 38 11.450 29.040 13.290 1.00 0.00 -ATOM 39 Ar Ar 39 26.060 45.780 17.210 1.00 0.00 -ATOM 40 Ar Ar 40 4.010 56.140 37.210 1.00 0.00 -ATOM 41 Ar Ar 41 12.270 39.860 60.810 1.00 0.00 -ATOM 42 Ar Ar 42 26.440 22.380 59.040 1.00 0.00 -ATOM 43 Ar Ar 43 14.010 6.890 63.170 1.00 0.00 -ATOM 44 Ar Ar 44 37.280 58.490 75.890 1.00 0.00 -ATOM 45 Ar Ar 45 34.760 26.610 28.150 1.00 0.00 -ATOM 46 Ar Ar 46 55.310 43.910 71.610 1.00 0.00 -ATOM 47 Ar Ar 47 68.870 73.950 45.180 1.00 0.00 -ATOM 48 Ar Ar 48 50.410 72.800 49.350 1.00 0.00 -ATOM 49 Ar Ar 49 36.760 74.690 32.730 1.00 0.00 -ATOM 50 Ar Ar 50 7.530 68.680 60.120 1.00 0.00 -ATOM 51 Ar Ar 51 23.460 51.370 8.960 1.00 0.00 -ATOM 52 Ar Ar 52 74.590 77.010 7.000 1.00 0.00 -ATOM 53 Ar Ar 53 33.810 36.450 59.930 1.00 0.00 -ATOM 54 Ar Ar 54 62.030 46.010 76.630 1.00 0.00 -ATOM 55 Ar Ar 55 21.890 40.850 12.510 1.00 0.00 -ATOM 56 Ar Ar 56 2.920 71.320 6.370 1.00 0.00 -ATOM 57 Ar Ar 57 8.370 19.070 61.530 1.00 0.00 -ATOM 58 Ar Ar 58 59.620 43.250 34.230 1.00 0.00 -ATOM 59 Ar Ar 59 17.070 9.730 21.600 1.00 0.00 -ATOM 60 Ar Ar 60 68.830 68.080 68.860 1.00 0.00 -ATOM 61 Ar Ar 61 68.990 24.410 0.830 1.00 0.00 -ATOM 62 Ar Ar 62 70.270 66.680 10.930 1.00 0.00 -ATOM 63 Ar Ar 63 60.330 45.690 56.810 1.00 0.00 -ATOM 64 Ar Ar 64 21.780 29.460 18.470 1.00 0.00 -ATOM 65 Ar Ar 65 12.980 48.980 14.410 1.00 0.00 -ATOM 66 Ar Ar 66 27.840 23.230 71.190 1.00 0.00 -ATOM 67 Ar Ar 67 68.140 47.210 22.730 1.00 0.00 -ATOM 68 Ar Ar 68 64.570 54.650 65.550 1.00 0.00 -ATOM 69 Ar Ar 69 70.630 9.780 7.080 1.00 0.00 -ATOM 70 Ar Ar 70 39.870 31.850 4.520 1.00 0.00 -ATOM 71 Ar Ar 71 50.520 19.420 48.020 1.00 0.00 -ATOM 72 Ar Ar 72 52.720 13.230 10.310 1.00 0.00 -ATOM 73 Ar Ar 73 28.900 52.160 60.610 1.00 0.00 -ATOM 74 Ar Ar 74 62.260 40.750 50.970 1.00 0.00 -ATOM 75 Ar Ar 75 55.260 27.540 37.380 1.00 0.00 -ATOM 76 Ar Ar 76 34.160 12.970 17.010 1.00 0.00 -ATOM 77 Ar Ar 77 66.580 17.030 67.060 1.00 0.00 -ATOM 78 Ar Ar 78 70.400 65.440 47.830 1.00 0.00 -ATOM 79 Ar Ar 79 4.550 11.260 19.690 1.00 0.00 -ATOM 80 Ar Ar 80 22.240 6.830 62.670 1.00 0.00 -ATOM 81 Ar Ar 81 58.640 68.400 52.730 1.00 0.00 -ATOM 82 Ar Ar 82 59.810 17.790 5.990 1.00 0.00 -ATOM 83 Ar Ar 83 52.710 76.640 15.370 1.00 0.00 -ATOM 84 Ar Ar 84 61.630 47.230 47.590 1.00 0.00 -ATOM 85 Ar Ar 85 63.540 70.060 60.590 1.00 0.00 -ATOM 86 Ar Ar 86 49.310 13.590 71.230 1.00 0.00 -ATOM 87 Ar Ar 87 14.260 7.730 1.220 1.00 0.00 -ATOM 88 Ar Ar 88 18.890 50.850 24.650 1.00 0.00 -ATOM 89 Ar Ar 89 54.320 3.490 35.690 1.00 0.00 -ATOM 90 Ar Ar 90 57.670 10.710 15.900 1.00 0.00 -ATOM 91 Ar Ar 91 46.430 0.770 25.020 1.00 0.00 -ATOM 92 Ar Ar 92 29.450 33.680 34.800 1.00 0.00 -ATOM 93 Ar Ar 93 58.210 28.400 22.850 1.00 0.00 -ATOM 94 Ar Ar 94 74.180 19.030 29.610 1.00 0.00 -ATOM 95 Ar Ar 95 4.810 51.550 14.210 1.00 0.00 -ATOM 96 Ar Ar 96 20.100 73.430 43.680 1.00 0.00 -ATOM 97 Ar Ar 97 12.780 4.900 56.140 1.00 0.00 -ATOM 98 Ar Ar 98 40.120 16.300 64.540 1.00 0.00 -ATOM 99 Ar Ar 99 55.150 47.800 42.280 1.00 0.00 -ATOM 100 Ar Ar 100 54.680 31.280 56.510 1.00 0.00 -TER -ENDMDL diff --git a/data/Cu_u3.eam b/data/copper_melting/Cu_u3.eam similarity index 100% rename from data/Cu_u3.eam rename to data/copper_melting/Cu_u3.eam diff --git a/data/Cu_u6.eam b/data/copper_melting/Cu_u6.eam similarity index 100% rename from data/Cu_u6.eam rename to data/copper_melting/Cu_u6.eam diff --git a/data/input_eam_cu_one_atomtype_20x20x20.dmp b/data/copper_melting/input_eam_cu_one_atomtype_20x20x20.dmp similarity index 100% rename from data/input_eam_cu_one_atomtype_20x20x20.dmp rename to data/copper_melting/input_eam_cu_one_atomtype_20x20x20.dmp diff --git a/data/input_lj_cu_one_atomtype_20x20x20.dmp b/data/copper_melting/input_lj_cu_one_atomtype_20x20x20.dmp similarity index 100% rename from data/input_lj_cu_one_atomtype_20x20x20.dmp rename to data/copper_melting/input_lj_cu_one_atomtype_20x20x20.dmp diff --git a/data/input_lj_cu_two_atomtypes_20x20x20.dmp b/data/copper_melting/input_lj_cu_two_atomtypes_20x20x20.dmp similarity index 100% rename from data/input_lj_cu_two_atomtypes_20x20x20.dmp rename to data/copper_melting/input_lj_cu_two_atomtypes_20x20x20.dmp diff --git a/data/heatup.mdp b/data/heatup.mdp deleted file mode 100644 index 65c8e23..0000000 --- a/data/heatup.mdp +++ /dev/null @@ -1,233 +0,0 @@ -; -; File 'mdout.mdp' was generated -; By user: bert (1001) -; On host: bertp3 -; At date: Sat Dec 4 13:41:42 2004 -; - -; VARIOUS PREPROCESSING OPTIONS -include = -define = - -; RUN CONTROL PARAMETERS -integrator = md -; Start time and timestep in ps -tinit = 0 -dt = 0.002 -nsteps = 2500000 -; For exact run continuation or redoing part of a run -init_step = 0 -; mode for center of mass motion removal -comm-mode = Angular -; number of steps for center of mass motion removal -nstcomm = 1 -; group(s) for center of mass motion removal -comm-grps = - -; LANGEVIN DYNAMICS OPTIONS -; Temperature, friction coefficient (amu/ps) and random seed -bd-fric = 0 -ld-seed = 1993 - -; ENERGY MINIMIZATION OPTIONS -; Force tolerance and initial step-size -emtol = 10 -emstep = 0.01 -; Max number of iterations in relax_shells -niter = 20 -; Step size (1/ps^2) for minimization of flexible constraints -fcstep = 0 -; Frequency of steepest descents steps when doing CG -nstcgsteep = 1000 -nbfgscorr = 10 - -; OUTPUT CONTROL OPTIONS -; Output frequency for coords (x), velocities (v) and forces (f) -nstxout = 5000 -nstvout = 5000 -nstfout = 0 -; Checkpointing helps you continue after crashes -nstcheckpoint = 1000 -; Output frequency for energies to log file and energy file -nstlog = 500 -nstenergy = 500 -; Output frequency and precision for xtc file -nstxtcout = 500 -xtc-precision = 1000 -; This selects the subset of atoms for the xtc file. You can -; select multiple groups. By default all atoms will be written. -xtc-grps = -; Selection of energy groups -energygrps = System - -; long-range cut-off for switched potentials -rlistlong = -1 -cutoff-scheme = Verlet - -; NEIGHBORSEARCHING PARAMETERS -; nblist update frequency -nstlist = 50 -; ns algorithm (simple or grid) -ns_type = grid -; Periodic boundary conditions: xyz (default), no (vacuum) -; or full (infinite systems only) -pbc = xyz -; nblist cut-off -rlist = 0.85 - - -; OPTIONS FOR ELECTROSTATICS AND VDW -; Method for doing electrostatics -coulombtype = Cut-off -rcoulomb-switch = 0 -rcoulomb = 0.85 -; Dielectric constant (DC) for cut-off or DC of reaction field -epsilon-r = 1 -; Method for doing Van der Waals -vdw-type = Cut-off -; cut-off lengths -rvdw-switch = 0 -rvdw = 0.85 -; Apply long range dispersion corrections for Energy and Pressure -DispCorr = Enerpres -; Extension of the potential lookup tables beyond the cut-off -table-extension = 1 -; Spacing for the PME/PPPM FFT grid -fourierspacing = 0.12 -; FFT grid size, when a value is 0 fourierspacing will be used -fourier_nx = 0 -fourier_ny = 0 -fourier_nz = 0 -; EWALD/PME/PPPM parameters -pme_order = 4 -ewald_rtol = 1e-05 -ewald_geometry = 3d -epsilon_surface = 0 -optimize_fft = no - -; GENERALIZED BORN ELECTROSTATICS -; Algorithm for calculating Born radii -gb_algorithm = Still -; Frequency of calculating the Born radii inside rlist -nstgbradii = 1 -; Cutoff for Born radii calculation; the contribution from atoms -; between rlist and rgbradii is updated every nstlist steps -rgbradii = 2 -; Salt concentration in M for Generalized Born models -gb_saltconc = 0 - -; IMPLICIT SOLVENT (for use with Generalized Born electrostatics) -implicit_solvent = No - -; OPTIONS FOR WEAK COUPLING ALGORITHMS -; Temperature coupling -Tcoupl = v-rescale -; Groups to couple separately -tc-grps = System -; Time constant (ps) and reference temperature (K) -tau_t = 0.1 -ref_t = 50 -; Pressure coupling -Pcoupl = no -Pcoupltype = isotropic -; Time constant (ps), compressibility (1/bar) and reference P (bar) -tau_p = 0.5 -compressibility = 4.5e-5 -ref_p = 1.0 - -; SIMULATED ANNEALING -; Type of annealing for each temperature group (no/single/periodic) -annealing = single -; Number of time points to use for specifying annealing in each group -annealing_npoints = 2 -; List of times at the annealing points for each group -annealing_time = 0 5000 -; Temp. at each annealing point, for each group. -annealing_temp = 50 125 - -; GENERATE VELOCITIES FOR STARTUP RUN -gen_vel = no -gen_temp = 0.0 -gen_seed = 173529 - -; OPTIONS FOR BONDS -constraints = all-bonds -; Type of constraint algorithm -constraint-algorithm = Lincs -; Do not constrain the start configuration -unconstrained-start = no -; Use successive overrelaxation to reduce the number of shake iterations -Shake-SOR = no -; Relative tolerance of shake -shake-tol = 1e-04 -; Highest order in the expansion of the constraint coupling matrix -lincs-order = 4 -; Number of iterations in the final step of LINCS. 1 is fine for -; normal simulations, but use 2 to conserve energy in NVE runs. -; For energy minimization with constraints it should be 4 to 8. -lincs-iter = 1 -; Lincs will write a warning to the stderr if in one step a bond -; rotates over more degrees than -lincs-warnangle = 30 -; Convert harmonic bonds to morse potentials -morse = no - -; ENERGY GROUP EXCLUSIONS -; Pairs of energy groups for which all non-bonded interactions are excluded -energygrp_excl = - -; NMR refinement stuff -; Distance restraints type: No, Simple or Ensemble -disre = No -; Force weighting of pairs in one distance restraint: Conservative or Equal -disre-weighting = Conservative -; Use sqrt of the time averaged times the instantaneous violation -disre-mixed = no -disre-fc = 1000 -disre-tau = 0 -; Output frequency for pair distances to energy file -nstdisreout = 100 -; Orientation restraints: No or Yes -orire = no -; Orientation restraints force constant and tau for time averaging -orire-fc = 0 -orire-tau = 0 -orire-fitgrp = -; Output frequency for trace(SD) to energy file -nstorireout = 100 - -; Free energy control stuff -free-energy = no -init-lambda = 0 -delta-lambda = 0 -sc-alpha = 0 -sc-sigma = 0.3 - -; Non-equilibrium MD stuff -acc-grps = -accelerate = -freezegrps = -freezedim = -cos-acceleration = 0 - -; Electric fields -; Format is number of terms (int) and for all terms an amplitude (real) -; and a phase angle (real) -E-x = -E-xt = -E-y = -E-yt = -E-z = -E-zt = - -; User defined thingies -user1-grps = -user2-grps = -userint1 = 0 -userint2 = 0 -userint3 = 0 -userint4 = 0 -userreal1 = 0 -userreal2 = 0 -userreal3 = 0 -userreal4 = 0 diff --git a/gromacs/atom.c b/gromacs/atom.c index 49f4074..8c11da9 100644 --- a/gromacs/atom.c +++ b/gromacs/atom.c @@ -31,16 +31,6 @@ #include #include -#define DELTA 20000 - -#ifndef MAXLINE -#define MAXLINE 4096 -#endif - -#ifndef MAX -#define MAX(a,b) ((a) > (b) ? (a) : (b)) -#endif - void initAtom(Atom *atom) { atom->x = NULL; atom->y = NULL; atom->z = NULL; atom->vx = NULL; atom->vy = NULL; atom->vz = NULL; diff --git a/gromacs/includes/atom.h b/gromacs/includes/atom.h index 9b912c2..854d0b0 100644 --- a/gromacs/includes/atom.h +++ b/gromacs/includes/atom.h @@ -25,6 +25,8 @@ #ifndef __ATOM_H_ #define __ATOM_H_ +#define DELTA 20000 + #define CLUSTER_DIM_M 4 #define CLUSTER_DIM_N VECTOR_WIDTH diff --git a/gromacs/includes/parameter.h b/gromacs/includes/parameter.h index c5a03a5..69d8f3d 100644 --- a/gromacs/includes/parameter.h +++ b/gromacs/includes/parameter.h @@ -31,10 +31,12 @@ typedef struct { int force_field; + char* param_file; char* input_file; char* vtk_file; char *xtc_file; MD_FLOAT epsilon; + MD_FLOAT sigma; MD_FLOAT sigma6; MD_FLOAT temp; MD_FLOAT rho; @@ -58,4 +60,9 @@ typedef struct { double proc_freq; char* eam_file; } Parameter; + +void initParameter(Parameter*); +void readParameter(Parameter*, const char*); +void printParameter(Parameter*); + #endif diff --git a/gromacs/includes/util.h b/gromacs/includes/util.h index 197f253..4e123ea 100644 --- a/gromacs/includes/util.h +++ b/gromacs/includes/util.h @@ -38,6 +38,14 @@ #define DEBUG_MESSAGE #endif +#ifndef MAXLINE +#define MAXLINE 4096 +#endif + +#ifndef MAX +#define MAX(a,b) ((a) > (b) ? (a) : (b)) +#endif + #define FF_LJ 0 #define FF_EAM 1 diff --git a/gromacs/main.c b/gromacs/main.c index 573531d..0bc8a3c 100644 --- a/gromacs/main.c +++ b/gromacs/main.c @@ -20,16 +20,11 @@ * with MD-Bench. If not, see . * ======================================================================================= */ -#include #include -#include -#include -#include #include -#include - +//-- #include - +//-- #include #include #include @@ -56,34 +51,6 @@ extern double computeForceEam(Eam*, Parameter*, Atom*, Neighbor*, Stats*); # define computeForceLJ computeForceLJ_4xn #endif -void init(Parameter *param) { - param->input_file = NULL; - param->vtk_file = NULL; - param->xtc_file = NULL; - param->force_field = FF_LJ; - param->epsilon = 1.0; - param->sigma6 = 1.0; - param->rho = 0.8442; - param->ntypes = 4; - param->ntimes = 200; - param->dt = 0.005; - param->nx = 32; - param->ny = 32; - param->nz = 32; - param->cutforce = 2.5; - param->skin = 0.3; - param->cutneigh = param->cutforce + param->skin; - param->temp = 1.44; - param->nstat = 100; - param->mass = 1.0; - param->dtforce = 0.5 * param->dt; - param->reneigh_every = 20; - param->prune_every = 1000; - param->x_out_every = 20; - param->v_out_every = 5; - param->proc_freq = 2.4; -} - double setup(Parameter *param, Eam *eam, Atom *atom, Neighbor *neighbor, Stats *stats) { if(param->force_field == FF_EAM) { initEam(eam, param); } double S, E; @@ -194,10 +161,13 @@ int main(int argc, char** argv) { //LIKWID_MARKER_REGISTER("reneighbour"); //LIKWID_MARKER_REGISTER("pbc"); } - init(¶m); - for(int i = 0; i < argc; i++) - { + initParameter(¶m); + for(int i = 0; i < argc; i++) { + if((strcmp(argv[i], "-p") == 0)) { + readParameter(¶m, argv[++i]); + continue; + } if((strcmp(argv[i], "-f") == 0)) { if((param.force_field = str2ff(argv[++i])) < 0) { fprintf(stderr, "Invalid force field!\n"); @@ -261,6 +231,7 @@ int main(int argc, char** argv) { if((strcmp(argv[i], "-h") == 0) || (strcmp(argv[i], "--help") == 0)) { printf("MD Bench: A minimalistic re-implementation of miniMD\n"); printf(HLINE); + printf("-p : file to read parameters from (can be specified more than once)\n"); printf("-f : force field (lj or eam), default lj\n"); printf("-i : input file with atom positions (dump)\n"); printf("-e : input file for EAM\n"); @@ -278,6 +249,9 @@ int main(int argc, char** argv) { param.cutneigh = param.cutforce + param.skin; setup(¶m, &eam, &atom, &neighbor, &stats); + printParameter(¶m); + + printf("step\ttemp\t\tpressure\n"); computeThermo(0, ¶m, &atom); #if defined(MEM_TRACER) || defined(INDEX_TRACER) traceAddresses(¶m, &atom, &neighbor, n + 1); @@ -349,7 +323,6 @@ int main(int argc, char** argv) { } printf(HLINE); - printf("Force field: %s\n", ff2str(param.force_field)); printf("Data layout for positions: %s\n", POS_DATA_LAYOUT); #if PRECISION == 1 printf("Using single precision floating point.\n"); diff --git a/gromacs/parameter.c b/gromacs/parameter.c new file mode 100644 index 0000000..0a71e52 --- /dev/null +++ b/gromacs/parameter.c @@ -0,0 +1,156 @@ +/* + * ======================================================================================= + * + * Author: Jan Eitzinger (je), jan.eitzinger@fau.de + * Copyright (c) 2020 RRZE, University Erlangen-Nuremberg + * + * This file is part of MD-Bench. + * + * MD-Bench is free software: you can redistribute it and/or modify it + * under the terms of the GNU Lesser General Public License as published + * by the Free Software Foundation, either version 3 of the License, or + * (at your option) any later version. + * + * MD-Bench is distributed in the hope that it will be useful, but WITHOUT ANY + * WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A + * PARTICULAR PURPOSE. See the GNU Lesser General Public License for more + * details. + * + * You should have received a copy of the GNU Lesser General Public License along + * with MD-Bench. If not, see . + * ======================================================================================= + */ +#include +#include +#include +//--- +#include +#include + +void initParameter(Parameter *param) { + param->input_file = NULL; + param->vtk_file = NULL; + param->xtc_file = NULL; + param->eam_file = NULL; + param->force_field = FF_LJ; + param->epsilon = 1.0; + param->sigma = 1.0; + param->sigma6 = 1.0; + param->rho = 0.8442; + param->ntypes = 4; + param->ntimes = 200; + param->dt = 0.005; + param->nx = 32; + param->ny = 32; + param->nz = 32; + param->cutforce = 2.5; + param->skin = 0.3; + param->cutneigh = param->cutforce + param->skin; + param->temp = 1.44; + param->nstat = 100; + param->mass = 1.0; + param->dtforce = 0.5 * param->dt; + param->reneigh_every = 20; + param->prune_every = 1000; + param->x_out_every = 20; + param->v_out_every = 5; + param->proc_freq = 2.4; +} + +void readParameter(Parameter *param, const char *filename) { + FILE *fp = fopen(filename, "r"); + char line[MAXLINE]; + int i; + + if(!fp) { + fprintf(stderr, "Could not open parameter file: %s\n", filename); + exit(-1); + } + + while(!feof(fp)) { + line[0] = '\0'; + fgets(line, MAXLINE, fp); + for(i = 0; line[i] != '\0' && line[i] != '#'; i++); + line[i] = '\0'; + + char *tok = strtok(line, " "); + char *val = strtok(NULL, " "); + + #define PARSE_PARAM(p,f) if(strncmp(tok, #p, sizeof(#p) / sizeof(#p[0]) - 1) == 0) { param->p = f(val); } + #define PARSE_STRING(p) PARSE_PARAM(p, strdup) + #define PARSE_INT(p) PARSE_PARAM(p, atoi) + #define PARSE_REAL(p) PARSE_PARAM(p, atof) + + if(tok != NULL && val != NULL) { + PARSE_PARAM(force_field, str2ff); + PARSE_STRING(input_file); + PARSE_STRING(eam_file); + PARSE_STRING(vtk_file); + PARSE_STRING(xtc_file); + PARSE_REAL(epsilon); + PARSE_REAL(sigma); + PARSE_REAL(rho); + PARSE_REAL(dt); + PARSE_REAL(cutforce); + PARSE_REAL(skin); + PARSE_REAL(temp); + PARSE_REAL(mass); + PARSE_REAL(proc_freq); + PARSE_INT(ntypes); + PARSE_INT(ntimes); + PARSE_INT(nx); + PARSE_INT(ny); + PARSE_INT(nz); + PARSE_INT(nstat); + PARSE_INT(reneigh_every); + PARSE_INT(prune_every); + PARSE_INT(x_out_every); + PARSE_INT(v_out_every); + } + } + + // Update sigma6 parameter + MD_FLOAT s2 = param->sigma * param->sigma; + param->sigma6 = s2 * s2 * s2; + fclose(fp); +} + +void printParameter(Parameter *param) { + printf("Parameters:\n"); + if(param->input_file != NULL) { + printf("Input file: %s\n", param->input_file); + } + + if(param->vtk_file != NULL) { + printf("VTK file: %s\n", param->vtk_file); + } + + if(param->xtc_file != NULL) { + printf("XTC file: %s\n", param->xtc_file); + } + + if(param->eam_file != NULL) { + printf("EAM file: %s\n", param->eam_file); + } + + printf("\tForce field: %s\n", ff2str(param->force_field)); + printf("\tUnit cells (nx, ny, nz): %d, %d, %d\n", param->nx, param->ny, param->nz); + printf("\tDomain box sizes (x, y, z): %e, %e, %e\n", param->xprd, param->yprd, param->zprd); + printf("\tLattice size: %e\n", param->lattice); + printf("\tEpsilon: %e\n", param->epsilon); + printf("\tSigma: %e\n", param->sigma); + printf("\tTemperature: %e\n", param->temp); + printf("\tRHO: %e\n", param->rho); + printf("\tMass: %e\n", param->mass); + printf("\tNumber of types: %d\n", param->ntypes); + printf("\tNumber of timesteps: %d\n", param->ntimes); + printf("\tReport stats every (timesteps): %d\n", param->nstat); + printf("\tReneighbor every (timesteps): %d\n", param->reneigh_every); + printf("\tPrune every (timesteps): %d\n", param->prune_every); + printf("\tOutput positions every (timesteps): %d\n", param->x_out_every); + printf("\tOutput velocities every (timesteps): %d\n", param->v_out_every); + printf("\tDelta time (dt): %e\n", param->dt); + printf("\tCutoff radius: %e\n", param->cutforce); + printf("\tSkin: %e\n", param->skin); + printf("\tProcessor frequency (GHz): %.4f\n\n", param->proc_freq); +} diff --git a/gromacs/thermo.c b/gromacs/thermo.c index 6f83663..73e94ae 100644 --- a/gromacs/thermo.c +++ b/gromacs/thermo.c @@ -65,8 +65,6 @@ void setupThermo(Parameter *param, int natoms) e_scale = 524287.985533;//16.0; param->dtforce /= mvv2e; } - - printf("step\ttemp\t\tpressure\n"); } void computeThermo(int iflag, Parameter *param, Atom *atom)