# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2009--Branicio-P-S-Rino-J-P-Gan-C-K-Tsuzuki-H--In-P # implementation = 2009--Branicio-P-S--In-P--LAMMPS--ipr1 # composition = InP3 # 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 2022-05-24 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 5.677436254e+03 nan nan 1.06 4.838864121e+03 nan nan 1.08 4.137140561e+03 nan nan 1.10 3.547933734e+03 nan nan 1.12 3.051575852e+03 6.194286846e+03 nan 1.14 2.631987398e+03 5.336127018e+03 nan 1.16 2.276064677e+03 4.609665109e+03 5.729870770e+03 1.18 1.973266600e+03 3.992416072e+03 4.961307195e+03 1.20 1.715031990e+03 3.466366284e+03 4.306615474e+03 1.22 1.494362419e+03 3.016813158e+03 3.747533050e+03 1.24 1.305463400e+03 2.631667381e+03 3.269059300e+03 1.26 1.143435259e+03 2.300954873e+03 2.858787752e+03 1.28 1.004032092e+03 2.016442617e+03 2.506314987e+03 1.30 8.835814489e+02 1.771274987e+03 2.202670001e+03 1.32 7.791541550e+02 1.559654525e+03 1.940087827e+03 1.34 6.884010127e+02 1.376568766e+03 1.712280210e+03 1.36 6.093560369e+02 1.217688122e+03 1.514167475e+03 1.38 5.403655705e+02 1.079362047e+03 1.341491903e+03 1.40 4.800541708e+02 9.585564084e+02 1.190677342e+03 1.42 4.272575359e+02 8.527842191e+02 1.058706698e+03 1.44 3.809899123e+02 7.599719766e+02 9.430184609e+02 1.46 3.404070189e+02 6.783609188e+02 8.414500048e+02 1.48 3.047718509e+02 6.064540498e+02 7.521658624e+02 1.50 2.734074296e+02 5.429743308e+02 6.735888888e+02 1.52 2.456975153e+02 4.868283151e+02 6.043318730e+02 1.54 2.211337053e+02 4.370799299e+02 5.431437010e+02 1.56 1.993136484e+02 3.929286936e+02 4.889137576e+02 1.58 1.798989370e+02 3.536875451e+02 4.407286957e+02 1.60 1.625948230e+02 3.187660483e+02 3.978370259e+02 1.62 1.471464238e+02 2.876558918e+02 3.595922090e+02 1.64 1.333323248e+02 2.599183881e+02 3.254345307e+02 1.66 1.209546520e+02 2.351696407e+02 2.948786677e+02 1.68 1.098504761e+02 2.130712394e+02 2.675032840e+02 1.70 9.987455674e+01 1.933299040e+02 2.429421311e+02 1.72 9.090153843e+01 1.756824335e+02 2.208761659e+02 1.74 8.282225072e+01 1.598930894e+02 2.010265568e+02 1.76 7.553968184e+01 1.457556296e+02 1.831436704e+02 1.78 6.897043970e+01 1.330831039e+02 1.670143111e+02 1.80 6.304077953e+01 1.216954069e+02 1.524537811e+02 1.82 5.769284800e+01 1.114270058e+02 1.393005883e+02 1.84 5.287065964e+01 1.021457326e+02 1.274134066e+02 1.86 4.852415865e+01 9.374329580e+01 1.166682193e+02 1.88 4.460594157e+01 8.612602194e+01 1.069558623e+02 1.90 4.106836950e+01 7.921245500e+01 9.817953864e+01 1.92 3.786384004e+01 7.293042253e+01 9.024744347e+01 1.94 3.495098930e+01 6.721589132e+01 8.307664417e+01 1.96 3.229753301e+01 6.201197433e+01 7.659019368e+01 1.98 2.987410849e+01 5.726806772e+01 7.071055796e+01 2.00 2.765942164e+01 5.293909974e+01 6.536122540e+01 2.02 2.563272124e+01 4.898492660e+01 6.047723791e+01 2.04 2.377504204e+01 4.536970815e+01 5.601030404e+01 2.06 2.207046494e+01 4.206135884e+01 5.192048084e+01 2.08 2.050473707e+01 3.903116209e+01 4.817216025e+01 2.10 1.906508309e+01 3.625338709e+01 4.473344333e+01 2.12 1.774003947e+01 3.370495246e+01 4.157572168e+01 2.14 1.651790216e+01 3.136231758e+01 3.867260641e+01 2.16 1.538766583e+01 2.920335735e+01 3.600013829e+01 2.18 1.434109055e+01 2.721149266e+01 3.353759250e+01 2.20 1.337044747e+01 2.537181277e+01 3.126630830e+01 2.22 1.246680767e+01 2.367088314e+01 2.916946343e+01 2.24 1.162455220e+01 2.209658814e+01 2.723187793e+01 2.26 1.084163113e+01 2.063799178e+01 2.543984033e+01 2.28 1.011347867e+01 1.928521444e+01 2.378097582e+01 2.30 9.435605091e+00 1.802932348e+01 2.224415148e+01 2.32 8.803945773e+00 1.686223616e+01 2.081921064e+01 2.34 8.214818402e+00 1.577665191e+01 1.949693629e+01 2.36 7.664884917e+00 1.476597452e+01 1.826896417e+01 2.38 7.151117598e+00 1.382418978e+01 1.712769730e+01 2.40 6.670768828e+00 1.294585696e+01 1.606622978e+01 2.42 6.221344095e+00 1.212605668e+01 1.507827872e+01 2.44 5.800577864e+00 1.136028930e+01 1.415812343e+01 2.46 5.406411982e+00 1.064446546e+01 1.330032730e+01 2.48 5.036976313e+00 9.974868519e+00 1.249893989e+01 2.50 4.690571353e+00 9.348119712e+00 1.174948413e+01 2.52 4.365652578e+00 8.761146970e+00 1.104804203e+01 2.54 4.060816308e+00 8.211156799e+00 1.039103541e+01 2.56 3.774783341e+00 7.695608921e+00 9.775194469e+00 2.58 3.505755851e+00 7.212193312e+00 9.197529515e+00 2.60 3.252230194e+00 6.758804288e+00 8.655305550e+00 2.62 3.013283459e+00 6.332900358e+00 8.146019371e+00 2.64 2.789298854e+00 5.932325372e+00 7.667378949e+00 2.66 2.580410100e+00 5.555525671e+00 7.217284832e+00 2.68 2.385863582e+00 5.201087450e+00 6.793813362e+00 2.70 2.204613387e+00 4.867722108e+00 6.395216295e+00 2.72 2.035390807e+00 4.554252112e+00 6.019903911e+00 2.74 1.877617909e+00 4.259597160e+00 5.666394152e+00 2.76 1.730768125e+00 3.982760479e+00 5.333327619e+00 2.78 1.594344323e+00 3.722815113e+00 5.019457937e+00 2.80 1.467870542e+00 3.478890132e+00 4.723642472e+00 2.82 1.350883719e+00 3.250156740e+00 4.444833863e+00 2.84 1.242925633e+00 3.035814311e+00 4.182072271e+00 2.86 1.143535487e+00 2.835076444e+00 3.934478268e+00 2.88 1.052243763e+00 2.647157198e+00 3.701246264e+00 2.90 9.685682612e-01 2.471257947e+00 3.481638410e+00 2.92 8.920134411e-01 2.306556249e+00 3.274978889e+00 2.94 8.220743183e-01 2.152200762e+00 3.080648525e+00 2.96 7.582459074e-01 2.007321382e+00 2.898079642e+00 2.98 7.000383745e-01 1.871069029e+00 2.726751088e+00 3.00 6.469963337e-01 1.742691283e+00 2.566183379e+00 3.02 5.983140690e-01 1.621612310e+00 2.415125634e+00 3.04 5.532650271e-01 1.507418472e+00 2.272383961e+00 3.06 5.115992449e-01 1.399767847e+00 2.137611430e+00 3.08 4.731187287e-01 1.298346247e+00 2.010482049e+00 3.10 4.376570483e-01 1.202858845e+00 1.890685629e+00 3.12 4.050642692e-01 1.113027493e+00 1.777922504e+00 3.14 3.752009801e-01 1.028589892e+00 1.671898168e+00 3.16 3.479367791e-01 9.493160385e-01 1.572317939e+00 3.18 3.231495726e-01 8.749694525e-01 1.478881829e+00 3.20 3.007249647e-01 8.053139191e-01 1.391279946e+00 3.22 2.802608001e-01 7.401187701e-01 1.309188823e+00 3.24 2.606307600e-01 6.791576054e-01 1.232269253e+00 3.26 2.416797936e-01 6.222076734e-01 1.160166294e+00 3.28 2.233490478e-01 5.690501085e-01 1.092512166e+00 3.30 2.055841205e-01 5.194711903e-01 1.028932657e+00 3.32 1.883347200e-01 4.732646847e-01 9.690572541e-01 3.34 1.716719750e-01 4.302351094e-01 9.125324544e-01 3.36 1.560483578e-01 3.902014303e-01 8.590364958e-01 3.38 1.414672649e-01 3.530002961e-01 8.082923229e-01 3.40 1.278782319e-01 3.184876640e-01 7.600746804e-01 3.42 1.152339311e-01 2.865378907e-01 7.142080267e-01 3.44 1.034899514e-01 2.570403411e-01 6.705554658e-01 3.46 9.260459561e-02 2.298949612e-01 6.290038858e-01 3.48 8.247558406e-02 2.050088133e-01 5.894605056e-01 3.50 7.293575794e-02 1.822943889e-01 5.518482290e-01 3.52 6.395010177e-02 1.616689935e-01 5.160791214e-01 3.54 5.548977833e-02 1.430544122e-01 4.820699467e-01 3.56 4.752776548e-02 1.263766179e-01 4.497423524e-01 3.58 4.003873111e-02 1.115655017e-01 4.190225445e-01 3.60 3.299891727e-02 9.855462274e-02 3.898409854e-01 3.62 2.638603282e-02 8.728097505e-02 3.621321135e-01 3.64 2.017915390e-02 7.768477175e-02 3.358340834e-01 3.66 1.435863158e-02 6.970924384e-02 3.108885242e-01 3.68 8.906006256e-03 6.325540918e-02 2.872403147e-01 3.70 3.803928134e-03 5.751322706e-02 2.648373754e-01 3.72 -9.639165671e-04 5.217803471e-02 2.436304739e-01 3.74 -5.412874169e-03 4.722335920e-02 2.235730447e-01 3.76 -9.557387233e-03 4.262444327e-02 2.046210211e-01 3.78 -1.341105376e-02 3.835812992e-02 1.867326788e-01 3.80 -1.698668225e-02 3.440275525e-02 1.698684903e-01 3.82 -2.029634290e-02 3.073804882e-02 1.539909891e-01 3.84 -2.335141524e-02 2.734504097e-02 1.390646431e-01 3.86 -2.616263250e-02 2.420597670e-02 1.250557366e-01 3.88 -2.874012287e-02 2.130423543e-02 1.119322605e-01 3.90 -3.109344801e-02 1.862425634e-02 9.966380928e-02 3.92 -3.323163881e-02 1.615146898e-02 8.822148503e-02 3.94 -3.516322888e-02 1.387222843e-02 7.757780819e-02 3.96 -3.689628561e-02 1.177375509e-02 6.770663362e-02 3.98 -3.843843923e-02 9.844078499e-03 5.858307248e-02 4.00 -3.979690994e-02 8.071984912e-03 5.018341905e-02 4.02 -4.097853317e-02 6.446968521e-03 4.248508233e-02 4.04 -4.198978315e-02 4.959185900e-03 3.546652204e-02 4.06 -4.283679502e-02 3.599413518e-03 2.910718870e-02 4.08 -4.352538537e-02 2.359008098e-03 2.338746751e-02 4.10 -4.406107148e-02 1.229869615e-03 1.828862582e-02 4.12 -4.444908935e-02 2.044067460e-04 1.379276383e-02 4.14 -4.469441045e-02 -7.244953945e-04 9.882768507e-03 4.16 -4.480175747e-02 -1.563505391e-03 6.542270201e-03 4.18 -4.477561906e-02 -2.318873688e-03 3.755602099e-03 4.20 -4.462026354e-02 -2.996458907e-03 1.507762084e-03 4.22 -4.433975181e-02 -3.601752447e-03 -2.156230338e-04 4.24 -4.393794946e-02 -4.139901485e-03 -1.428331112e-03 4.26 -4.341853799e-02 -4.615730495e-03 -2.296259745e-03 4.28 -4.278502544e-02 -5.033761365e-03 -3.077324551e-03 4.30 -4.204075633e-02 -5.398232229e-03 -3.780668867e-03 4.32 -4.118892093e-02 -5.713115087e-03 -4.411543531e-03 4.34 -4.023256399e-02 -5.982132301e-03 -4.974880367e-03 4.36 -3.917459291e-02 -6.208772034e-03 -5.475311574e-03 4.38 -3.801778547e-02 -6.396302717e-03 -5.917187919e-03 4.40 -3.676479693e-02 -6.547786586e-03 -6.304595767e-03 4.42 -3.541816691e-02 -6.666092379e-03 -6.641373062e-03 4.44 -3.398032564e-02 -6.753907219e-03 -6.931124300e-03 4.46 -3.245359999e-02 -6.813747761e-03 -7.177234581e-03 4.48 -3.084021902e-02 -6.847970635e-03 -7.382882783e-03 4.50 -2.914231930e-02 -6.858782235e-03 -7.551053925e-03 4.52 -2.736194981e-02 -6.848247906e-03 -7.684550773e-03 4.54 -2.550107665e-02 -6.818300551e-03 -7.786004720e-03 4.56 -2.356158733e-02 -6.770748711e-03 -7.857886016e-03 4.58 -2.154529499e-02 -6.707284139e-03 -7.902513363e-03 4.60 -1.945394220e-02 -6.629488913e-03 -7.922062924e-03 4.62 -1.728920465e-02 -6.538842110e-03 -7.918576795e-03 4.64 -1.505269456e-02 -6.436726065e-03 -7.893970953e-03 4.66 -1.274596393e-02 -6.324432253e-03 -7.850042731e-03 4.68 -1.037050758e-02 -6.203166809e-03 -7.788477836e-03 4.70 -7.927766034e-03 -6.074055710e-03 -7.710856952e-03 4.72 -5.419128200e-03 -5.938149646e-03 -7.618661943e-03 4.74 -2.845933957e-03 -5.796428585e-03 -7.513281683e-03 4.76 -2.094765408e-04 -5.649806078e-03 -7.396017543e-03 4.78 2.488995179e-03 -5.499133287e-03 -7.268088548e-03 4.80 5.248274557e-03 -5.345202778e-03 -7.130636228e-03 4.82 8.067195149e-03 -5.188752086e-03 -6.984729179e-03 4.84 1.094462880e-02 -5.030467061e-03 -6.831367363e-03 4.86 1.387948385e-02 -4.870985016e-03 -6.671486140e-03 4.88 1.687070340e-02 -4.710897688e-03 -6.505960077e-03 4.90 1.991686433e-02 -4.550754016e-03 -6.335606521e-03 4.92 2.284952665e-02 -4.391062759e-03 -6.161188970e-03 4.94 2.553332517e-02 -4.232294950e-03 -5.983420242e-03 4.96 2.797166704e-02 -4.074886216e-03 -5.802965464e-03 4.98 3.016790498e-02 -3.919238945e-03 -5.620444879e-03 5.00 3.212533807e-02 -3.765724334e-03 -5.436436495e-03 5.02 3.384721266e-02 -3.614684315e-03 -5.251478577e-03 5.04 3.533672322e-02 -3.466433360e-03 -5.066071999e-03 5.06 3.659701316e-02 -3.321260185e-03 -4.880682450e-03 5.08 3.763117569e-02 -3.179429351e-03 -4.695742524e-03 5.10 3.844225466e-02 -3.041182770e-03 -4.511653678e-03 5.12 3.903324539e-02 -2.906741124e-03 -4.328788084e-03 5.14 3.940709544e-02 -2.776305194e-03 -4.147490375e-03 5.16 3.956670550e-02 -2.650057117e-03 -3.968079280e-03 5.18 3.951493011e-02 -2.528161567e-03 -3.790849179e-03 5.20 3.925457849e-02 -2.410714373e-03 -3.616071559e-03 5.22 3.878841531e-02 -2.295997592e-03 -3.443996388e-03 5.24 3.811916145e-02 -2.183235608e-03 -3.274853412e-03 5.26 3.724949477e-02 -2.072568918e-03 -3.108853377e-03 5.28 3.618205085e-02 -1.964126118e-03 -2.946189177e-03 5.30 3.491942373e-02 -1.858024631e-03 -2.787036946e-03 5.32 3.346416661e-02 -1.754371383e-03 -2.631557075e-03 5.34 3.181879261e-02 -1.653263452e-03 -2.479895179e-03 5.36 2.998577543e-02 -1.554788670e-03 -2.332183005e-03 5.38 2.802629533e-02 -1.459026196e-03 -2.188539294e-03 5.40 2.612868738e-02 -1.366047054e-03 -2.049070581e-03 5.42 2.430599307e-02 -1.275914643e-03 -1.913871965e-03 5.44 2.255719636e-02 -1.188685215e-03 -1.783027822e-03 5.46 2.088130052e-02 -1.104408322e-03 -1.656612483e-03 5.48 1.927732761e-02 -1.023127251e-03 -1.534690876e-03 5.50 1.774431800e-02 -9.448794149e-04 -1.417319122e-03 5.52 1.628132985e-02 -8.696967381e-04 -1.304545107e-03 5.54 1.488743872e-02 -7.976060092e-04 -1.196409014e-03 5.56 1.356173704e-02 -7.286292181e-04 -1.092943827e-03 5.58 1.230333376e-02 -6.627838729e-04 -9.941758094e-04 5.60 1.111135388e-02 -6.000832977e-04 -9.001249466e-04 5.62 9.984938072e-03 -5.405369145e-04 -8.108053717e-04 5.64 8.923242290e-03 -4.841505078e-04 -7.262257617e-04 5.66 7.925437385e-03 -4.309264747e-04 -6.463897121e-04 5.68 6.990708749e-03 -3.808640600e-04 -5.712960900e-04 5.70 6.118255962e-03 -3.339595777e-04 -5.009393665e-04 5.72 5.307292446e-03 -2.902066201e-04 -4.353099302e-04 5.74 4.557045142e-03 -2.495962545e-04 -3.743943817e-04 5.76 3.866754186e-03 -2.121172078e-04 -3.181758117e-04 5.78 3.235672599e-03 -1.777560415e-04 -2.666340623e-04 5.80 2.663065991e-03 -1.464973156e-04 -2.197459735e-04 5.82 2.148212265e-03 -1.183237431e-04 -1.774856146e-04 5.84 1.690401338e-03 -9.321633506e-05 -1.398245026e-04 5.86 1.288934869e-03 -7.115453809e-05 -1.067318071e-04 5.88 9.431259877e-04 -5.211636244e-05 -7.817454366e-05 5.90 6.522990448e-04 -3.607850325e-05 -5.411775488e-05 5.92 4.157893572e-04 -2.301645429e-05 -3.452468144e-05 5.94 2.329429675e-04 -1.290461492e-05 -1.935692238e-05 5.96 1.031164084e-04 -5.716390576e-06 -8.574585864e-06 5.98 2.567647450e-05 -1.424287225e-06 -2.136430838e-06 6.00 9.992007222e-17 6.655787033e-17 -1.265654248e-16