# 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 = Cu3Pt # 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 1.720681323e+02 nan nan 1.16 1.577208757e+02 nan nan 1.18 1.445374056e+02 nan nan 1.20 1.324062929e+02 nan nan 1.22 1.212300014e+02 nan nan 1.24 1.109251205e+02 nan nan 1.26 1.014168335e+02 nan nan 1.28 9.263448656e+01 1.483267972e+02 1.710863978e+02 1.30 8.451209737e+01 1.367870205e+02 1.583478839e+02 1.32 7.699071562e+01 1.260804020e+02 1.465253351e+02 1.34 7.001915233e+01 1.161558482e+02 1.355352160e+02 1.36 6.355283154e+01 1.069633471e+02 1.253028253e+02 1.38 5.755236081e+01 9.844868636e+01 1.157629814e+02 1.40 5.198279941e+01 9.055306717e+01 1.068610095e+02 1.42 4.681304869e+01 8.321704382e+01 9.855176925e+01 1.44 4.201497808e+01 7.638584877e+01 9.079612262e+01 1.46 3.757022250e+01 7.001360770e+01 8.355745252e+01 1.48 3.352281666e+01 6.406473819e+01 7.680061881e+01 1.50 2.985519096e+01 5.851190760e+01 7.049295211e+01 1.52 2.653185344e+01 5.333179247e+01 6.460535777e+01 1.54 2.351881351e+01 4.850113042e+01 5.911218267e+01 1.56 2.078430001e+01 4.399493029e+01 5.398967949e+01 1.58 1.829945362e+01 3.978689933e+01 4.921393579e+01 1.60 1.603870061e+01 3.587171045e+01 4.475971497e+01 1.62 1.397995082e+01 3.227300919e+01 4.060104517e+01 1.64 1.210462447e+01 2.896400865e+01 3.672622105e+01 1.66 1.039733057e+01 2.592066312e+01 3.316470611e+01 1.68 8.845149816e+00 2.312386117e+01 2.989525518e+01 1.70 7.436764560e+00 2.055843586e+01 2.689429720e+01 1.72 6.161751469e+00 1.821158355e+01 2.414087454e+01 1.74 5.010138745e+00 1.607103431e+01 2.161553354e+01 1.76 3.972152226e+00 1.412361921e+01 1.929981421e+01 1.78 3.038099851e+00 1.235479899e+01 1.717613448e+01 1.80 2.198419374e+00 1.074916538e+01 1.522782178e+01 1.82 1.443908355e+00 9.291381381e+00 1.343920887e+01 1.84 7.660653315e-01 7.966961966e+00 1.179584915e+01 1.86 1.573705801e-01 6.762626948e+00 1.028487134e+01 1.88 -3.886503433e-01 5.666310208e+00 8.895319207e+00 1.90 -8.775865354e-01 4.667058178e+00 7.618219864e+00 1.92 -1.314396372e+00 3.754997037e+00 6.446252118e+00 1.94 -1.703624930e+00 2.921406774e+00 5.373133495e+00 1.96 -2.049527871e+00 2.158827293e+00 4.392980468e+00 1.98 -2.356102885e+00 1.461087651e+00 3.499853953e+00 2.00 -2.627053985e+00 8.231885790e-01 2.687580613e+00 2.02 -2.865731792e+00 2.410488142e-01 1.949830874e+00 2.04 -3.075103276e+00 -2.888059556e-01 1.280356476e+00 2.06 -3.257786902e+00 -7.695206265e-01 6.732519263e-01 2.08 -3.416153474e+00 -1.204101244e+00 1.231245477e-01 2.10 -3.553621168e+00 -1.595511367e+00 -3.748732006e-01 2.12 -3.672765071e+00 -1.946694263e+00 -8.251239668e-01 2.14 -3.775090659e+00 -2.260549010e+00 -1.231675569e+00 2.16 -3.862053252e+00 -2.539887775e+00 -1.598355512e+00 2.18 -3.934964601e+00 -2.787397053e+00 -1.928823415e+00 2.20 -3.994944368e+00 -3.005616638e+00 -2.226546061e+00 2.22 -4.042926515e+00 -3.196938579e+00 -2.494714747e+00 2.24 -4.079699524e+00 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-3.594497220e+00 -4.103750357e+00 -4.188847646e+00 2.62 -3.533935884e+00 -4.080319499e+00 -4.174398793e+00 2.64 -3.470932157e+00 -4.053747760e+00 -4.156052426e+00 2.66 -3.405575400e+00 -4.023861463e+00 -4.134314521e+00 2.68 -3.338031154e+00 -3.990570840e+00 -4.110069485e+00 2.70 -3.268545296e+00 -3.953871515e+00 -4.083234730e+00 2.72 -3.197436159e+00 -3.913836372e+00 -4.053430683e+00 2.74 -3.125077573e+00 -3.870596196e+00 -4.020391433e+00 2.76 -3.051877297e+00 -3.824330314e+00 -3.983986921e+00 2.78 -2.978263675e+00 -3.775262825e+00 -3.944230768e+00 2.80 -2.904754706e+00 -3.723591720e+00 -3.901271006e+00 2.82 -2.831873047e+00 -3.669464671e+00 -3.855363935e+00 2.84 -2.760046593e+00 -3.612988209e+00 -3.806844051e+00 2.86 -2.689590967e+00 -3.554249332e+00 -3.756125440e+00 2.88 -2.620703493e+00 -3.493343896e+00 -3.703611143e+00 2.90 -2.553470073e+00 -3.430405453e+00 -3.649640839e+00 2.92 -2.487883811e+00 -3.365628532e+00 -3.594479919e+00 2.94 -2.423871091e+00 -3.299281366e+00 -3.538322961e+00 2.96 -2.361319534e+00 -3.231704727e+00 -3.481306649e+00 2.98 -2.300103154e+00 -3.163296009e+00 -3.423526862e+00 3.00 -2.240101804e+00 -3.094480986e+00 -3.365055690e+00 3.02 -2.181213918e+00 -3.025679293e+00 -3.305956015e+00 3.04 -2.123362950e+00 -2.957320703e+00 -3.246292619e+00 3.06 -2.066498646e+00 -2.889848231e+00 -3.186139650e+00 3.08 -2.010594624e+00 -2.823587118e+00 -3.125584496e+00 3.10 -1.955643665e+00 -2.758737836e+00 -3.064727983e+00 3.12 -1.901651950e+00 -2.695395602e+00 -3.003680851e+00 3.14 -1.848633197e+00 -2.633574624e+00 -2.942556713e+00 3.16 -1.796603329e+00 -2.573231842e+00 -2.881477928e+00 3.18 -1.745576079e+00 -2.514287115e+00 -2.820599076e+00 3.20 -1.695559663e+00 -2.456638775e+00 -2.760047861e+00 3.22 -1.646554548e+00 -2.400174889e+00 -2.699908368e+00 3.24 -1.598552218e+00 -2.344781216e+00 -2.640222124e+00 3.26 -1.551534779e+00 -2.290346936e+00 -2.580994365e+00 3.28 -1.505475274e+00 -2.236768988e+00 -2.522204724e+00 3.30 -1.460338519e+00 -2.183955523e+00 -2.463820654e+00 3.32 -1.416082362e+00 -2.131828637e+00 -2.405811512e+00 3.34 -1.372659233e+00 -2.080326353e+00 -2.348161214e+00 3.36 -1.330017944e+00 -2.029403698e+00 -2.290877766e+00 3.38 -1.288105682e+00 -1.979032767e+00 -2.233998476e+00 3.40 -1.246870231e+00 -1.929201718e+00 -2.177590326e+00 3.42 -1.206262423e+00 -1.879912815e+00 -2.121745713e+00 3.44 -1.166238900e+00 -1.831179717e+00 -2.066574489e+00 3.46 -1.126765143e+00 -1.783024319e+00 -2.012193827e+00 3.48 -1.087818793e+00 -1.735473448e+00 -1.958717767e+00 3.50 -1.049393031e+00 -1.688555724e+00 -1.906248148e+00 3.52 -1.011499727e+00 -1.642298808e+00 -1.854868216e+00 3.54 -9.741718599e-01 -1.596727204e+00 -1.804639354e+00 3.56 -9.374645770e-01 -1.551860717e+00 -1.755600819e+00 3.58 -9.014542532e-01 -1.507713572e+00 -1.707771700e+00 3.60 -8.662350764e-01 -1.464294211e+00 -1.661154213e+00 3.62 -8.319130413e-01 -1.421605699e+00 -1.615737457e+00 3.64 -7.985977651e-01 -1.379646702e+00 -1.571501001e+00 3.66 -7.663930837e-01 -1.338412940e+00 -1.528417932e+00 3.68 -7.353877778e-01 -1.297899033e+00 -1.486457240e+00 3.70 -7.056478505e-01 -1.258100574e+00 -1.445585565e+00 3.72 -6.772114965e-01 -1.219016268e+00 -1.405768411e+00 3.74 -6.500873303e-01 -1.180649880e+00 -1.366970975e+00 3.76 -6.242557873e-01 -1.143011708e+00 -1.329158692e+00 3.78 -5.996730530e-01 -1.106119281e+00 -1.292297597e+00 3.80 -5.762765631e-01 -1.069997027e+00 -1.256354564e+00 3.82 -5.539910602e-01 -1.034674755e+00 -1.221297445e+00 3.84 -5.327343457e-01 -1.000184987e+00 -1.187095128e+00 3.86 -5.124221247e-01 -9.665594081e-01 -1.153717512e+00 3.88 -4.929716197e-01 -9.338248613e-01 -1.121135403e+00 3.90 -4.743038687e-01 -9.019995103e-01 -1.089320339e+00 3.92 -4.563448018e-01 -8.710897375e-01 -1.058244347e+00 3.94 -4.390253146e-01 -8.410882646e-01 -1.027879659e+00 3.96 -4.222806206e-01 -8.119737266e-01 -9.981983907e-01 3.98 -4.060492052e-01 -7.837117160e-01 -9.691722396e-01 4.00 -3.902716874e-01 -7.562570575e-01 -9.407721896e-01 4.02 -3.748898572e-01 -7.295569585e-01 -9.129682709e-01 4.04 -3.598460939e-01 -7.035546192e-01 -8.857293849e-01 4.06 -3.450832838e-01 -6.781929110e-01 -8.590232165e-01 4.08 -3.305452816e-01 -6.534177957e-01 -8.328162515e-01 4.10 -3.161778951e-01 -6.291812276e-01 -8.070739183e-01 4.12 -3.019303286e-01 -6.054433749e-01 -7.817608714e-01 4.14 -2.877569991e-01 -5.821739943e-01 -7.568414376e-01 4.16 -2.736196220e-01 -5.593529669e-01 -7.322802422e-01 4.18 -2.594894423e-01 -5.369699615e-01 -7.080430319e-01 4.20 -2.453494713e-01 -5.150233485e-01 -6.840976986e-01 4.22 -2.311965561e-01 -4.935185495e-01 -6.604155008e-01 4.24 -2.170430048e-01 -4.724660893e-01 -6.369724505e-01 4.26 -2.029178303e-01 -4.518796528e-01 -6.137508105e-01 4.28 -1.888671019e-01 -4.317744295e-01 -5.907406063e-01 4.30 -1.749508153e-01 -4.121659491e-01 -5.679410210e-01 4.32 -1.612426294e-01 -3.930694820e-01 -5.453615014e-01 4.34 -1.478264269e-01 -3.744999380e-01 -5.230223838e-01 4.36 -1.347917485e-01 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-1.178761204e-02 -1.285782602e-01 -1.909895546e-01 4.74 -1.004089107e-02 -1.200796370e-01 -1.785344732e-01 4.76 -8.546833481e-03 -1.118281953e-01 -1.664043751e-01 4.78 -7.271281428e-03 -1.038174948e-01 -1.545975633e-01 4.80 -6.183941475e-03 -9.604932468e-02 -1.431221879e-01 4.82 -5.258176545e-03 -8.853286041e-02 -1.319966782e-01 4.84 -4.470731189e-03 -8.128334371e-02 -1.212480403e-01 4.86 -3.801422805e-03 -7.432038020e-02 -1.109092982e-01 4.88 -3.232822356e-03 -6.766597933e-02 -1.010165840e-01 4.90 -2.749940736e-03 -6.134250294e-02 -9.160610510e-02 4.92 -2.339931213e-03 -5.537069697e-02 -8.271124328e-02 4.94 -1.991814238e-03 -4.976797075e-02 -7.436002482e-02 4.96 -1.696227705e-03 -4.454705513e-02 -6.657315631e-02 4.98 -1.445203580e-03 -3.971512137e-02 -5.936274703e-02 5.00 -1.231970437e-03 -3.527338582e-02 -5.273175513e-02 5.02 -1.050780509e-03 -3.121717128e-02 -4.667411369e-02 5.04 -8.967593230e-04 -2.753635282e-02 -4.117542885e-02 5.06 -7.657757397e-04 -2.421608921e-02 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-3.996671997e-06 -1.473308255e-04 -2.203906343e-04 5.80 -3.492318720e-06 -1.285455884e-04 -1.922882728e-04 5.82 -3.053235936e-06 -1.122171078e-04 -1.678613986e-04 5.84 -2.670765198e-06 -9.801639515e-05 -1.466177921e-04 5.86 -2.337424807e-06 -8.565946320e-05 -1.281325662e-04 5.88 -2.046746052e-06 -7.490106023e-05 -1.120387911e-04 5.90 -1.793132768e-06 -6.552928765e-05 -9.801944044e-05 5.92 -1.571740827e-06 -5.736097590e-05 -8.580047242e-05 5.94 -1.378374660e-06 -5.023771110e-05 -7.514488463e-05 5.96 -1.209398342e-06 -4.402242012e-05 -6.584760431e-05 5.98 -1.061659157e-06 -3.859643479e-05 -5.773109572e-05 6.00 -9.324218503e-07 -3.385696727e-05 -5.064158258e-05