# 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 = AuW3 # 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 5.543152109e+02 nan nan 1.16 5.090460555e+02 nan nan 1.18 4.675910289e+02 nan nan 1.20 4.295773811e+02 nan nan 1.22 3.946731458e+02 nan nan 1.24 3.625840694e+02 nan nan 1.26 3.330524798e+02 nan nan 1.28 3.058563491e+02 4.781554602e+02 5.502437019e+02 1.30 2.808059994e+02 4.421330039e+02 5.096292746e+02 1.32 2.577374185e+02 4.088606887e+02 4.720786164e+02 1.34 2.365036559e+02 3.781110555e+02 4.373412297e+02 1.36 2.169674006e+02 3.496780177e+02 4.051914806e+02 1.38 1.989970258e+02 3.233737445e+02 3.754248086e+02 1.40 1.824660342e+02 2.990264007e+02 3.478538575e+02 1.42 1.672542963e+02 2.764785313e+02 3.223058640e+02 1.44 1.532495533e+02 2.555859237e+02 2.986216703e+02 1.46 1.403485344e+02 2.362167976e+02 2.766555501e+02 1.48 1.284576556e+02 2.182512672e+02 2.562748754e+02 1.50 1.174932607e+02 2.015809953e+02 2.373592452e+02 1.52 1.073811603e+02 1.861087693e+02 2.197992078e+02 1.54 9.805535338e+01 1.717477091e+02 2.034948450e+02 1.56 8.945635031e+01 1.584200020e+02 1.883544221e+02 1.58 8.152982912e+01 1.460552732e+02 1.742932166e+02 1.60 7.422596911e+01 1.345888201e+02 1.612325834e+02 1.62 6.749916903e+01 1.239599822e+02 1.490992656e+02 1.64 6.130765766e+01 1.141108967e+02 1.378249320e+02 1.66 5.561278983e+01 1.049858221e+02 1.273459013e+02 1.68 5.037817651e+01 9.653107621e+01 1.176029998e+02 1.70 4.556893878e+01 8.869544460e+01 1.085414989e+02 1.72 4.115129890e+01 8.143076838e+01 1.001110882e+02 1.74 3.709254608e+01 7.469242806e+01 9.226582921e+01 1.76 3.336124887e+01 6.843957282e+01 8.496402478e+01 1.78 2.992810722e+01 6.263509301e+01 7.816792395e+01 1.80 2.676717243e+01 5.724541906e+01 7.184321401e+01 1.82 2.385318798e+01 5.224024848e+01 6.595835005e+01 1.84 2.117240432e+01 4.759226307e+01 6.048387193e+01 1.86 1.870487825e+01 4.327682939e+01 5.539187625e+01 1.88 1.642999608e+01 3.927164163e+01 5.065573914e+01 1.90 1.433004620e+01 3.555629579e+01 4.625007964e+01 1.92 1.239022632e+01 3.211184423e+01 4.215087080e+01 1.94 1.059831016e+01 2.892106240e+01 3.833557644e+01 1.96 8.944063006e+00 2.596839115e+01 3.478322534e+01 1.98 7.418593921e+00 2.324303702e+01 3.147440540e+01 2.00 6.013815353e+00 2.073427997e+01 2.839218197e+01 2.02 4.722091986e+00 1.842564295e+01 2.552139976e+01 2.04 3.536071049e+00 1.630149050e+01 2.285326152e+01 2.06 2.448637405e+00 1.434693648e+01 2.038122625e+01 2.08 1.452930153e+00 1.254777465e+01 1.809090672e+01 2.10 5.423749472e-01 1.089047293e+01 1.596919362e+01 2.12 -2.892909654e-01 9.362251900e+00 1.400427785e+01 2.14 -1.048005866e+00 7.951234149e+00 1.218555162e+01 2.16 -1.739377266e+00 6.646617610e+00 1.050344869e+01 2.18 -2.368674063e+00 5.438812387e+00 8.949253615e+00 2.20 -2.940813127e+00 4.319492710e+00 7.514913840e+00 2.22 -3.460343818e+00 3.281546349e+00 6.192882716e+00 2.24 -3.931438955e+00 2.318936589e+00 4.976009235e+00 2.26 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-7.036737221e+00 -6.443274266e+00 -5.658152904e+00 2.64 -6.983958573e+00 -6.581191485e+00 -5.851839932e+00 2.66 -6.912473293e+00 -6.699473735e+00 -6.026560875e+00 2.68 -6.822734826e+00 -6.799433217e+00 -6.183298607e+00 2.70 -6.715373182e+00 -6.882279299e+00 -6.323329913e+00 2.72 -6.591225026e+00 -6.949139650e+00 -6.447916392e+00 2.74 -6.451370341e+00 -7.001075898e+00 -6.558217753e+00 2.76 -6.297179042e+00 -7.038809589e+00 -6.655306543e+00 2.78 -6.130396671e+00 -7.062551110e+00 -6.740177575e+00 2.80 -5.952847396e+00 -7.072414780e+00 -6.813753172e+00 2.82 -5.766560105e+00 -7.068454727e+00 -6.876883846e+00 2.84 -5.573734594e+00 -7.050823161e+00 -6.930104675e+00 2.86 -5.376627774e+00 -7.019766624e+00 -6.973336817e+00 2.88 -5.177426067e+00 -6.975618222e+00 -7.006490397e+00 2.90 -4.978107128e+00 -6.918796648e+00 -7.029533651e+00 2.92 -4.780336725e+00 -6.849809465e+00 -7.042460346e+00 2.94 -4.585424301e+00 -6.769257147e+00 -7.045263114e+00 2.96 -4.394303616e+00 -6.677833950e+00 -7.037914144e+00 2.98 -4.207554578e+00 -6.576348963e+00 -7.020354270e+00 3.00 -4.025459662e+00 -6.465750370e+00 -6.992490460e+00 3.02 -3.848082372e+00 -6.346789297e+00 -6.954200632e+00 3.04 -3.675353391e+00 -6.220237117e+00 -6.905343841e+00 3.06 -3.507150996e+00 -6.086884955e+00 -6.845773548e+00 3.08 -3.343365192e+00 -5.947500364e+00 -6.775351751e+00 3.10 -3.183939133e+00 -5.802786145e+00 -6.694010466e+00 3.12 -3.028885971e+00 -5.653334644e+00 -6.601697436e+00 3.14 -2.878283561e+00 -5.499620869e+00 -6.498267194e+00 3.16 -2.732252820e+00 -5.342007949e+00 -6.383631329e+00 3.18 -2.590927437e+00 -5.180753176e+00 -6.257762818e+00 3.20 -2.454422863e+00 -5.016024681e+00 -6.120697095e+00 3.22 -2.322811159e+00 -4.847926299e+00 -5.972534694e+00 3.24 -2.196105918e+00 -4.676527844e+00 -5.813440655e+00 3.26 -2.074258771e+00 -4.501898377e+00 -5.643644312e+00 3.28 -1.957166528e+00 -4.324140420e+00 -5.463470255e+00 3.30 -1.844686319e+00 -4.143423386e+00 -5.273362554e+00 3.32 -1.736655267e+00 -3.960014500e+00 -5.073909981e+00 3.34 -1.632911114e+00 -3.774305342e+00 -4.865872852e+00 3.36 -1.533310742e+00 -3.586831854e+00 -4.650207881e+00 3.38 -1.437744271e+00 -3.398285493e+00 -4.428086544e+00 3.40 -1.346143355e+00 -3.209513339e+00 -4.200902235e+00 3.42 -1.258483129e+00 -3.021505486e+00 -3.970261858e+00 3.44 -1.174778140e+00 -2.835369130e+00 -3.737958884e+00 3.46 -1.095073185e+00 -2.652290164e+00 -3.505926992e+00 3.48 -1.019430569e+00 -2.473484803e+00 -3.276176124e+00 3.50 -9.479155441e-01 -2.300145241e+00 -3.050715548e+00 3.52 -8.805817684e-01 -2.133384431e+00 -2.831470832e+00 3.54 -8.174584525e-01 -1.974185373e+00 -2.620202919e+00 3.56 -7.585404686e-01 -1.823359753e+00 -2.418437464e+00 3.58 -7.037821904e-01 -1.681519484e+00 -2.227411183e+00 3.60 -6.530952674e-01 -1.549062886e+00 -2.048039519e+00 3.62 -6.063500450e-01 -1.426175396e+00 -1.880906982e+00 3.64 -5.633799592e-01 -1.312842995e+00 -1.726278643e+00 3.66 -5.239880270e-01 -1.208875465e+00 -1.584129016e+00 3.68 -4.879545026e-01 -1.113935991e+00 -1.454183231e+00 3.70 -4.550448480e-01 -1.027573708e+00 -1.335965058e+00 3.72 -4.250171515e-01 -9.492562021e-01 -1.228846761e+00 3.74 -3.976291717e-01 -8.783997137e-01 -1.132096773e+00 3.76 -3.726441202e-01 -8.143955280e-01 -1.044922371e+00 3.78 -3.498345834e-01 -7.566317969e-01 -9.665057564e-01 3.80 -3.289857365e-01 -7.045105965e-01 -8.960329134e-01 3.82 -3.098974200e-01 -6.574604623e-01 -8.327154368e-01 3.84 -2.923852528e-01 -6.149449103e-01 -7.758059690e-01 3.86 -2.762809723e-01 -5.764675841e-01 -7.246081829e-01 3.88 -2.614321852e-01 -5.415747027e-01 -6.784823328e-01 3.90 -2.477016943e-01 -5.098554514e-01 -6.368473658e-01 3.92 -2.349665415e-01 -4.809408823e-01 -5.991804924e-01 3.94 -2.231168832e-01 -4.545018066e-01 -5.650149776e-01 3.96 -2.120547811e-01 -4.302460584e-01 -5.339367659e-01 3.98 -2.016929831e-01 -4.079154354e-01 -5.055804303e-01 4.00 -1.919537364e-01 -3.872825353e-01 -4.796247982e-01 4.02 -1.827676685e-01 -3.681476490e-01 -4.557885181e-01 4.04 -1.740727589e-01 -3.503358179e-01 -4.338257430e-01 4.06 -1.658134149e-01 -3.336941291e-01 -4.135220482e-01 4.08 -1.579396605e-01 -3.180892834e-01 -3.946906478e-01 4.10 -1.504064441e-01 -3.034053650e-01 -3.771689458e-01 4.12 -1.431730682e-01 -2.895419935e-01 -3.608154311e-01 4.14 -1.362027421e-01 -2.764131622e-01 -3.455069088e-01 4.16 -1.294622621e-01 -2.639454292e-01 -3.311358669e-01 4.18 -1.229218160e-01 -2.520767525e-01 -3.176086786e-01 4.20 -1.165549148e-01 -2.407554684e-01 -3.048437312e-01 4.22 -1.103384437e-01 -2.299393182e-01 -2.927694933e-01 4.24 -1.042528258e-01 -2.195944674e-01 -2.813231358e-01 4.26 -9.828227994e-02 -2.096944656e-01 -2.704493231e-01 4.28 -9.241514509e-02 -2.002191129e-01 -2.600991589e-01 4.30 -8.664423196e-02 -1.911532215e-01 -2.502292712e-01 4.32 -8.096714780e-02 -1.824852952e-01 -2.408010195e-01 4.34 -7.538652903e-02 -1.742061803e-01 -2.317798097e-01 4.36 -6.991010810e-02 -1.663077632e-01 -2.231345027e-01 4.38 -6.455054618e-02 -1.587818066e-01 -2.148369044e-01 4.40 -5.932496332e-02 -1.516190023e-01 -2.068613265e-01 4.42 -5.425414646e-02 -1.448083015e-01 -1.991842081e-01 4.44 -4.936143304e-02 -1.383365478e-01 -1.917837912e-01 4.46 -4.467132732e-02 -1.321883985e-01 -1.846398427e-01 4.48 -4.020795330e-02 -1.263464214e-01 -1.777334184e-01 4.50 -3.599348212e-02 -1.207914118e-01 -1.710466646e-01 4.52 -3.204668648e-02 -1.155032898e-01 -1.645626529e-01 4.54 -2.838176878e-02 -1.104612010e-01 -1.582652549e-01 4.56 -2.500735229e-02 -1.056439969e-01 -1.521390348e-01 4.58 -2.192618455e-02 -1.010306982e-01 -1.461691884e-01 4.60 -1.913611848e-02 -9.660088226e-02 -1.403415083e-01 4.62 -1.662972381e-02 -9.233499117e-02 -1.346423839e-01 4.64 -1.439502284e-02 -8.821456903e-02 -1.290588396e-01 4.66 -1.241644968e-02 -8.422244228e-02 -1.235786103e-01 4.68 -1.067587122e-02 -8.034285993e-02 -1.181902586e-01 4.70 -9.153575457e-03 -7.656161034e-02 -1.128833325e-01 4.72 -7.829158254e-03 -7.286612829e-02 -1.076485648e-01 4.74 -6.682267044e-03 -6.924560254e-02 -1.024781090e-01 4.76 -5.693184353e-03 -6.569108905e-02 -9.736580682e-02 4.78 -4.843253029e-03 -6.219562967e-02 -9.230747348e-02 4.80 -4.115157933e-03 -5.875437000e-02 -8.730118608e-02 4.82 -3.493085989e-03 -5.536466807e-02 -8.234755098e-02 4.84 -2.962789043e-03 -5.202616966e-02 -7.744992301e-02 4.86 -2.511573401e-03 -4.874084139e-02 -7.261454447e-02 4.88 -2.128237486e-03 -4.551293169e-02 -6.785057107e-02 4.90 -1.802975528e-03 -4.234884322e-02 -6.316995462e-02 4.92 -1.527261516e-03 -3.925690084e-02 -5.858715988e-02 4.94 -1.293724272e-03 -3.624700839e-02 -5.411870604e-02 4.96 -1.096021444e-03 -3.333019912e-02 -4.978254085e-02 4.98 -9.287176956e-04 -3.051809631e-02 -4.559727313e-02 5.00 -7.871704866e-04 -2.782231666e-02 -4.158131326e-02 5.02 -6.674253762e-04 -2.525385708e-02 -3.775198336e-02 5.04 -5.661216762e-04 -2.282251121e-02 -3.412466745e-02 5.06 -4.804085688e-04 -2.053636204e-02 -3.071207190e-02 5.08 -4.078713436e-04 -1.840139004e-02 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-1.584473890e-03 -2.372172037e-03 5.46 -2.042856888e-05 -1.365798751e-03 -2.044799847e-03 5.48 -1.756346164e-05 -1.177084165e-03 -1.762276038e-03 5.50 -1.510982259e-05 -1.014351596e-03 -1.518646447e-03 5.52 -1.300720172e-05 -8.741098634e-04 -1.308685888e-03 5.54 -1.120422307e-05 -7.533071132e-04 -1.127826171e-03 5.56 -9.657195108e-06 -6.492842032e-04 -9.720874944e-04 5.58 -8.328937879e-06 -5.597305731e-04 -8.380108484e-04 5.60 -7.187792404e-06 -4.826432477e-04 -7.225978366e-04 5.62 -6.206783602e-06 -4.162893120e-04 -6.232542556e-04 5.64 -5.362912648e-06 -3.591719714e-04 -5.377393197e-04 5.66 -4.636558357e-06 -3.100001456e-04 -4.641201680e-04 5.68 -4.010970440e-06 -2.676614453e-04 -4.007314258e-04 5.70 -3.471840337e-06 -2.311983101e-04 -3.461394935e-04 5.72 -3.006937546e-06 -1.997870513e-04 -2.991111814e-04 5.74 -2.605801219e-06 -1.727195309e-04 -2.585862860e-04 5.76 -2.259478468e-06 -1.493872023e-04 -2.236537024e-04 5.78 -1.960302194e-06 -1.292672556e-04 -1.935306841e-04 5.80 -1.701702353e-06 -1.119106187e-04 -1.675448809e-04 5.82 -1.478045490e-06 -9.693158981e-05 -1.451188189e-04 5.84 -1.284498253e-06 -8.399889612e-05 -1.257565140e-04 5.86 -1.116911231e-06 -7.282799259e-05 -1.090319427e-04 5.88 -9.717200113e-07 -6.317443836e-05 -9.457912575e-05 5.90 -8.458608579e-07 -5.482820498e-05 -8.208360656e-05 5.92 -7.366988108e-07 -4.760878936e-05 -7.127513434e-05 5.94 -6.419663367e-07 -4.136102023e-05 -6.192138565e-05 5.96 -5.597109416e-07 -3.595146143e-05 -5.382257935e-05 5.98 -4.882504182e-07 -3.126532803e-05 -4.680685938e-05 6.00 -4.261345921e-07 -2.720384284e-05 -4.072633687e-05