# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = Co3Pt # NOTE: These values are for static, unrelaxed structures and use the ideal # b/a and c/a ratios for the crystal structure, not the potential-specific # values. # Calculations from the NIST Interatomic Potential Repository Project: # http://www.ctcms.nist.gov/potentials/ # Table generated 2024-04-11 r A15--Cr3Si D0_3--BiF3 L1_2--AuCu3 0.50 nan nan nan 0.52 nan nan nan 0.54 nan nan nan 0.56 nan nan nan 0.58 nan nan nan 0.60 nan nan nan 0.62 nan nan nan 0.64 nan nan nan 0.66 nan nan nan 0.68 nan nan nan 0.70 nan nan nan 0.72 nan nan nan 0.74 nan nan nan 0.76 nan nan nan 0.78 nan nan nan 0.80 nan nan nan 0.82 nan nan nan 0.84 nan nan nan 0.86 nan nan nan 0.88 nan nan nan 0.90 nan nan nan 0.92 nan nan nan 0.94 nan nan nan 0.96 nan nan nan 0.98 nan nan nan 1.00 nan nan nan 1.02 nan nan nan 1.04 nan nan nan 1.06 nan nan nan 1.08 nan nan nan 1.10 nan nan nan 1.12 nan nan nan 1.14 2.223408105e+02 nan nan 1.16 2.037927607e+02 nan nan 1.18 1.867738601e+02 nan nan 1.20 1.711388975e+02 nan nan 1.22 1.567594479e+02 nan nan 1.24 1.435226602e+02 nan nan 1.26 1.313264950e+02 nan nan 1.28 1.200783537e+02 1.915059570e+02 2.208459322e+02 1.30 1.096954534e+02 1.766926243e+02 2.043334549e+02 1.32 1.001033165e+02 1.629623237e+02 1.890177527e+02 1.34 9.123376156e+01 1.502349256e+02 1.747969618e+02 1.36 8.302481945e+01 1.384385680e+02 1.615790511e+02 1.38 7.542170307e+01 1.275033641e+02 1.492842789e+02 1.40 6.837656330e+01 1.173594543e+02 1.378461125e+02 1.42 6.184678816e+01 1.079395131e+02 1.272074874e+02 1.44 5.579367338e+01 9.918259419e+01 1.173144915e+02 1.46 5.018249627e+01 9.103646478e+01 1.081125385e+02 1.48 4.498291521e+01 8.345708316e+01 9.954725471e+01 1.50 4.016790286e+01 7.640585755e+01 9.156797574e+01 1.52 3.571130963e+01 6.984666259e+01 8.413050895e+01 1.54 3.162968199e+01 6.374414004e+01 7.719736251e+01 1.56 2.793677348e+01 5.806352724e+01 7.073563704e+01 1.58 2.459288059e+01 5.277132222e+01 6.471414940e+01 1.60 2.156294295e+01 4.783597641e+01 5.910169150e+01 1.62 1.881634138e+01 4.322836087e+01 5.386724334e+01 1.64 1.632639609e+01 3.892219099e+01 4.898137818e+01 1.66 1.406988129e+01 3.489450051e+01 4.441755181e+01 1.68 1.202651928e+01 3.116447067e+01 4.015249990e+01 1.70 1.017843450e+01 2.775297906e+01 3.616577338e+01 1.72 8.509560675e+00 2.463653253e+01 3.245568360e+01 1.74 7.005007887e+00 2.179332996e+01 2.905459012e+01 1.76 5.650524731e+00 1.920227589e+01 2.594121963e+01 1.78 4.432254331e+00 1.684259016e+01 2.309175214e+01 1.80 3.336844585e+00 1.469416532e+01 2.048399079e+01 1.82 2.351788493e+00 1.273820676e+01 1.809731856e+01 1.84 1.465797090e+00 1.095763365e+01 1.591271730e+01 1.86 6.690249105e-01 9.337089230e+00 1.391282166e+01 1.88 -4.694663522e-02 7.862714349e+00 1.208195759e+01 1.90 -6.893194764e-01 6.521886852e+00 1.040609181e+01 1.92 -1.264347124e+00 5.303035977e+00 8.872681743e+00 1.94 -1.777560419e+00 4.195545061e+00 7.470485825e+00 1.96 -2.233926187e+00 3.189711656e+00 6.189377362e+00 1.98 -2.637954111e+00 2.276728412e+00 5.020156748e+00 2.00 -2.993773778e+00 1.448654739e+00 3.954361528e+00 2.02 -3.305199951e+00 6.983631126e-01 2.984110098e+00 2.04 -3.575798537e+00 1.945828925e-02 2.102021887e+00 2.06 -3.808958552e+00 -5.938245272e-01 1.301217713e+00 2.08 -4.007964668e+00 -1.146731543e+00 5.753540909e-01 2.10 -4.176051198e+00 -1.644096415e+00 -8.136983935e-02 2.12 -4.316410734e+00 -2.090423297e+00 -6.742649184e-01 2.14 -4.432141973e+00 -2.489933575e+00 -1.208252970e+00 2.16 -4.527134392e+00 -2.846572776e+00 -1.687977832e+00 2.18 -4.605014128e+00 -3.163988618e+00 -2.117885043e+00 2.20 -4.667396642e+00 -3.445502580e+00 -2.502244622e+00 2.22 -4.715650794e+00 -3.694096876e+00 -2.845116303e+00 2.24 -4.750935604e+00 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-3.978266876e+00 -4.706417478e+00 -4.872465251e+00 2.62 -3.889102732e+00 -4.658100263e+00 -4.854141515e+00 2.64 -3.797323291e+00 -4.606654374e+00 -4.828978404e+00 2.66 -3.703356871e+00 -4.552525008e+00 -4.797229500e+00 2.68 -3.607714403e+00 -4.495851460e+00 -4.759158934e+00 2.70 -3.510962679e+00 -4.436674385e+00 -4.715057217e+00 2.72 -3.413688972e+00 -4.374990844e+00 -4.665258367e+00 2.74 -3.316467705e+00 -4.310780606e+00 -4.610129475e+00 2.76 -3.219835602e+00 -4.244026971e+00 -4.549956457e+00 2.78 -3.124275753e+00 -4.174729704e+00 -4.485086601e+00 2.80 -3.030207983e+00 -4.102911491e+00 -4.415999263e+00 2.82 -2.938056251e+00 -4.028620958e+00 -4.343291282e+00 2.84 -2.848278280e+00 -3.951935384e+00 -4.267646458e+00 2.86 -2.761195785e+00 -3.872965289e+00 -4.189789808e+00 2.88 -2.676984709e+00 -3.791861821e+00 -4.110432158e+00 2.90 -2.595695692e+00 -3.708826344e+00 -4.030214777e+00 2.92 -2.517282079e+00 -3.624120075e+00 -3.949665393e+00 2.94 -2.441630685e+00 -3.538070441e+00 -3.869174708e+00 2.96 -2.368590480e+00 -3.451070342e+00 -3.788996502e+00 2.98 -2.297995997e+00 -3.363567396e+00 -3.709267442e+00 3.00 -2.229684135e+00 -3.276042386e+00 -3.630037922e+00 3.02 -2.163504698e+00 -3.188979077e+00 -3.551304746e+00 3.04 -2.099325839e+00 -3.102830237e+00 -3.473038916e+00 3.06 -2.037035812e+00 -3.018026658e+00 -3.395205483e+00 3.08 -1.976542259e+00 -2.935013235e+00 -3.317775395e+00 3.10 -1.917769956e+00 -2.854104430e+00 -3.240730923e+00 3.12 -1.860657713e+00 -2.775470908e+00 -3.164066697e+00 3.14 -1.805154890e+00 -2.699165712e+00 -3.087788225e+00 3.16 -1.751217915e+00 -2.625155275e+00 -3.011909286e+00 3.18 -1.698807081e+00 -2.553350025e+00 -2.936456521e+00 3.20 -1.647883837e+00 -2.483630734e+00 -2.861519622e+00 3.22 -1.598408741e+00 -2.415868753e+00 -2.787207859e+00 3.24 -1.550340140e+00 -2.349939874e+00 -2.713616283e+00 3.26 -1.503633613e+00 -2.285732646e+00 -2.640828584e+00 3.28 -1.458242136e+00 -2.223152355e+00 -2.568920637e+00 3.30 -1.414116864e+00 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-7.949262131e-01 -1.293550698e+00 -1.472000736e+00 3.68 -7.688097118e-01 -1.256546844e+00 -1.430930921e+00 3.70 -7.434201384e-01 -1.220494012e+00 -1.391159827e+00 3.72 -7.187267706e-01 -1.185348009e+00 -1.352586416e+00 3.74 -6.946970164e-01 -1.151065731e+00 -1.315118395e+00 3.76 -6.712966470e-01 -1.117605891e+00 -1.278674027e+00 3.78 -6.484900641e-01 -1.084929553e+00 -1.243183017e+00 3.80 -6.262406223e-01 -1.053000412e+00 -1.208586605e+00 3.82 -6.045110366e-01 -1.021784833e+00 -1.174837041e+00 3.84 -5.832639140e-01 -9.912516486e-01 -1.141896583e+00 3.86 -5.624624475e-01 -9.613717873e-01 -1.109736182e+00 3.88 -5.420712975e-01 -9.321177999e-01 -1.078333990e+00 3.90 -5.220576574e-01 -9.034633750e-01 -1.047673831e+00 3.92 -5.023924545e-01 -8.753829249e-01 -1.017743724e+00 3.94 -4.830515781e-01 -8.478513263e-01 -9.885345546e-01 3.96 -4.640169530e-01 -8.208438606e-01 -9.600389140e-01 3.98 -4.452772374e-01 -7.943364224e-01 -9.322501617e-01 4.00 -4.268278945e-01 -7.683060002e-01 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-1.736822306e-05 -1.846600982e-04 -2.763334879e-04 5.80 -1.488429217e-05 -1.603045346e-04 -2.398831913e-04 5.82 -1.276490783e-05 -1.392534352e-04 -2.083788152e-04 5.84 -1.095527148e-05 -1.210463927e-04 -1.811311813e-04 5.86 -9.409000424e-06 -1.052887161e-04 -1.575494918e-04 5.88 -8.086811890e-06 -9.164185576e-05 -1.371269919e-04 5.90 -6.955415539e-06 -7.981524377e-05 -1.194287553e-04 5.92 -5.986581233e-06 -6.955934111e-05 -1.040812742e-04 5.94 -5.156354110e-06 -6.065971031e-05 -9.076358561e-05 5.96 -4.444393447e-06 -5.293196102e-05 -7.919970447e-05 5.98 -3.833415599e-06 -4.621743805e-05 -6.915216849e-05 6.00 -3.308724388e-06 -4.037954129e-05 -6.041652878e-05