# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2016--Zhang-Y-Ashcraft-R-Mendelev-M-I-et-al--Ni-Nb # implementation = 2016--Zhang-Y--Ni-Nb--LAMMPS--ipr1 # composition = NbNi3 # 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 4.170155683e+04 nan nan 1.06 3.819895912e+04 nan nan 1.08 3.495294537e+04 nan nan 1.10 3.194037275e+04 nan nan 1.12 2.914062148e+04 nan nan 1.14 2.653528996e+04 nan nan 1.16 2.410787180e+04 3.766794562e+04 4.290856865e+04 1.18 2.184359012e+04 3.471771788e+04 3.969375029e+04 1.20 1.972917215e+04 3.196259446e+04 3.669130054e+04 1.22 1.775272715e+04 2.938683334e+04 3.388420825e+04 1.24 1.590346964e+04 2.697621373e+04 3.125709275e+04 1.26 1.417153389e+04 2.471779339e+04 2.879587686e+04 1.28 1.254787959e+04 2.259984059e+04 2.648774813e+04 1.30 1.102420649e+04 2.061169004e+04 2.432100625e+04 1.32 9.592936595e+03 1.874354568e+04 2.228498248e+04 1.34 8.247153405e+03 1.698644189e+04 2.036997551e+04 1.36 6.980542172e+03 1.533224184e+04 1.856715053e+04 1.38 5.797834646e+03 1.377360616e+04 1.686846288e+04 1.40 4.805841467e+03 1.230382506e+04 1.526656068e+04 1.42 3.998457719e+03 1.091672889e+04 1.375471996e+04 1.44 3.338736629e+03 9.606656510e+03 1.232673641e+04 1.46 2.797450694e+03 8.368429477e+03 1.097690053e+04 1.48 2.351411362e+03 7.197326306e+03 9.699977428e+03 1.50 1.982154642e+03 6.089700381e+03 8.491127470e+03 1.52 1.674952086e+03 5.121696015e+03 7.345857923e+03 1.54 1.418035494e+03 4.321357961e+03 6.260017381e+03 1.56 1.201991338e+03 3.657461371e+03 5.287736410e+03 1.58 1.019307881e+03 3.104845568e+03 4.479642259e+03 1.60 8.638675770e+02 2.643197255e+03 3.806180831e+03 1.62 7.307233239e+02 2.256068840e+03 3.243141673e+03 1.64 6.158820609e+02 1.930111019e+03 2.770853859e+03 1.66 5.161178077e+02 1.654486758e+03 2.373314685e+03 1.68 4.288190288e+02 1.420388383e+03 2.037481133e+03 1.70 3.518633598e+02 1.220605158e+03 1.752694027e+03 1.72 2.835228850e+02 1.049248886e+03 1.510207005e+03 1.74 2.252987513e+02 9.015070792e+02 1.302834630e+03 1.76 1.784017203e+02 7.734409546e+02 1.124669607e+03 1.78 1.406734584e+02 6.618172391e+02 9.708485717e+02 1.80 1.103646038e+02 5.639706264e+02 8.373631864e+02 1.82 8.605788051e+01 4.776979932e+02 7.209072719e+02 1.84 6.660276671e+01 4.011795188e+02 6.187499674e+02 1.86 5.106456385e+01 3.329068502e+02 5.286303529e+02 1.88 3.868473399e+01 2.716922260e+02 4.486744882e+02 1.90 2.885321949e+01 2.197339063e+02 3.773285549e+02 1.92 2.108020345e+01 1.771876420e+02 3.133343771e+02 1.94 1.496294344e+01 1.423964324e+02 2.561036409e+02 1.96 1.016790809e+01 1.139756539e+02 2.082060800e+02 1.98 6.425989118e+00 9.078650127e+01 1.687893347e+02 2.00 3.520287697e+00 7.189243167e+01 1.363836136e+02 2.02 1.276256654e+00 5.652338935e+01 1.097722415e+02 2.04 -4.462800560e-01 4.404554046e+01 8.794705181e+01 2.06 -1.759652058e+00 3.393664715e+01 7.007203801e+01 2.08 -2.753593960e+00 2.576642980e+01 5.545441893e+01 2.10 -3.499548674e+00 1.918057695e+01 4.352056769e+01 2.12 -4.054184486e+00 1.389004111e+01 3.379952532e+01 2.14 -4.462203440e+00 9.656515974e+00 2.590060976e+01 2.16 -4.758662378e+00 6.281676141e+00 1.949696049e+01 2.18 -4.970864178e+00 3.602652920e+00 1.431851154e+01 2.20 -5.119789891e+00 1.485891943e+00 1.014233933e+01 2.22 -5.221440739e+00 -1.779356547e-01 6.784642866e+00 2.24 -5.288106692e+00 -1.478176212e+00 4.094093495e+00 2.26 -5.329172459e+00 -2.487729643e+00 1.946324164e+00 2.28 -5.351667339e+00 -3.265958826e+00 2.392103427e-01 2.30 -5.360675211e+00 -3.861072514e+00 -1.111050638e+00 2.32 -5.359732016e+00 -4.312067997e+00 -2.173214799e+00 2.34 -5.351267982e+00 -4.650347178e+00 -3.003568005e+00 2.36 -5.336900183e+00 -4.901101592e+00 -3.648063001e+00 2.38 -5.317644213e+00 -5.084465335e+00 -4.144152866e+00 2.40 -5.294083724e+00 -5.216393305e+00 -4.522309097e+00 2.42 -5.266504431e+00 -5.309399812e+00 -4.807260898e+00 2.44 -5.234986520e+00 -5.373199186e+00 -5.019000761e+00 2.46 -5.199474185e+00 -5.415216232e+00 -5.173599208e+00 2.48 -5.159992980e+00 -5.441055538e+00 -5.283897742e+00 2.50 -5.116910437e+00 -5.454872091e+00 -5.360115588e+00 2.52 -5.070881702e+00 -5.459675672e+00 -5.410337770e+00 2.54 -5.022741172e+00 -5.457606101e+00 -5.440906760e+00 2.56 -4.973392925e+00 -5.450134662e+00 -5.456741647e+00 2.58 -4.923483062e+00 -5.438200373e+00 -5.461604081e+00 2.60 -4.873103796e+00 -5.422310092e+00 -5.458329057e+00 2.62 -4.821917393e+00 -5.402606850e+00 -5.448993235e+00 2.64 -4.769312484e+00 -5.378970401e+00 -5.435057405e+00 2.66 -4.714770970e+00 -5.351203349e+00 -5.417521540e+00 2.68 -4.658162543e+00 -5.319103018e+00 -5.397024766e+00 2.70 -4.599667152e+00 -5.282575170e+00 -5.373907225e+00 2.72 -4.539680834e+00 -5.241816399e+00 -5.348282138e+00 2.74 -4.478697575e+00 -5.197291223e+00 -5.320124017e+00 2.76 -4.417104805e+00 -5.149640595e+00 -5.289345353e+00 2.78 -4.355120974e+00 -5.099610205e+00 -5.255968006e+00 2.80 -4.292803963e+00 -5.047923623e+00 -5.220194137e+00 2.82 -4.230138448e+00 -4.994979338e+00 -5.182335656e+00 2.84 -4.167099053e+00 -4.940796952e+00 -5.142768614e+00 2.86 -4.103686402e+00 -4.885133706e+00 -5.101921378e+00 2.88 -4.039932018e+00 -4.827610414e+00 -5.060084991e+00 2.90 -3.975891819e+00 -4.767949457e+00 -5.017157947e+00 2.92 -3.911639091e+00 -4.706136013e+00 -4.972723686e+00 2.94 -3.847256930e+00 -4.642393731e+00 -4.926221669e+00 2.96 -3.782830133e+00 -4.577130369e+00 -4.877098749e+00 2.98 -3.718441149e+00 -4.510847102e+00 -4.825075839e+00 3.00 -3.654168182e+00 -4.444043599e+00 -4.770175200e+00 3.02 -3.590074819e+00 -4.377146389e+00 -4.712637000e+00 3.04 -3.526210530e+00 -4.310502538e+00 -4.652861033e+00 3.06 -3.462629011e+00 -4.244391387e+00 -4.591333167e+00 3.08 -3.399394232e+00 -4.179030510e+00 -4.528491766e+00 3.10 -3.336579926e+00 -4.114575036e+00 -4.464683507e+00 3.12 -3.274267965e+00 -4.051110392e+00 -4.400162067e+00 3.14 -3.212545417e+00 -3.988658277e+00 -4.335116804e+00 3.16 -3.151499960e+00 -3.927189922e+00 -4.269700613e+00 3.18 -3.091213266e+00 -3.866653874e+00 -4.204044106e+00 3.20 -3.031751988e+00 -3.806990284e+00 -4.138270126e+00 3.22 -2.973156242e+00 -3.748133771e+00 -4.072495932e+00 3.24 -2.915438217e+00 -3.690015829e+00 -4.006833382e+00 3.26 -2.858601568e+00 -3.632567104e+00 -3.941389574e+00 3.28 -2.802647434e+00 -3.575719551e+00 -3.876267829e+00 3.30 -2.747575140e+00 -3.519408410e+00 -3.811568844e+00 3.32 -2.693382929e+00 -3.463574014e+00 -3.747391866e+00 3.34 -2.640068713e+00 -3.408163366e+00 -3.683835696e+00 3.36 -2.587630101e+00 -3.353131463e+00 -3.620999327e+00 3.38 -2.536063202e+00 -3.298442313e+00 -3.558982013e+00 3.40 -2.485362487e+00 -3.244069605e+00 -3.497882519e+00 3.42 -2.435520997e+00 -3.189996961e+00 -3.437796546e+00 3.44 -2.386530413e+00 -3.136217719e+00 -3.378809152e+00 3.46 -2.338380958e+00 -3.082734196e+00 -3.320986033e+00 3.48 -2.291061222e+00 -3.029557389e+00 -3.264364886e+00 3.50 -2.244557986e+00 -2.976708737e+00 -3.208956750e+00 3.52 -2.198855915e+00 -2.924219984e+00 -3.154758398e+00 3.54 -2.153937713e+00 -2.872131540e+00 -3.101755110e+00 3.56 -2.109784364e+00 -2.820490070e+00 -3.049921271e+00 3.58 -2.066375371e+00 -2.769345243e+00 -2.999221024e+00 3.60 -2.023688983e+00 -2.718745528e+00 -2.949609007e+00 3.62 -1.981702397e+00 -2.668733194e+00 -2.901031226e+00 3.64 -1.940391947e+00 -2.619343073e+00 -2.853427510e+00 3.66 -1.899733256e+00 -2.570604377e+00 -2.806735648e+00 3.68 -1.859701366e+00 -2.522537020e+00 -2.760893199e+00 3.70 -1.820270824e+00 -2.475148209e+00 -2.715838583e+00 3.72 -1.781415727e+00 -2.428438674e+00 -2.671512048e+00 3.74 -1.743109724e+00 -2.382407256e+00 -2.627856510e+00 3.76 -1.705325961e+00 -2.337051027e+00 -2.584818264e+00 3.78 -1.668036973e+00 -2.292365260e+00 -2.542347549e+00 3.80 -1.631214512e+00 -2.248343437e+00 -2.500398966e+00 3.82 -1.594829304e+00 -2.204977295e+00 -2.458931734e+00 3.84 -1.558850768e+00 -2.162256899e+00 -2.417909781e+00 3.86 -1.523248035e+00 -2.120170762e+00 -2.377301645e+00 3.88 -1.487993223e+00 -2.078705989e+00 -2.337080195e+00 3.90 -1.453063157e+00 -2.037848456e+00 -2.297222133e+00 3.92 -1.418440525e+00 -1.997583022e+00 -2.257707296e+00 3.94 -1.384114847e+00 -1.957893758e+00 -2.218517708e+00 3.96 -1.350081148e+00 -1.918764209e+00 -2.179636406e+00 3.98 -1.316338043e+00 -1.880177669e+00 -2.141045989e+00 4.00 -1.282887317e+00 -1.842117477e+00 -2.102727064e+00 4.02 -1.249733641e+00 -1.804567311e+00 -2.064659586e+00 4.04 -1.216884507e+00 -1.767511505e+00 -2.026826759e+00 4.06 -1.184350101e+00 -1.730935348e+00 -1.989215751e+00 4.08 -1.152143089e+00 -1.694825385e+00 -1.951817701e+00 4.10 -1.120278355e+00 -1.659169702e+00 -1.914627638e+00 4.12 -1.088772689e+00 -1.623958189e+00 -1.877644288e+00 4.14 -1.057644427e+00 -1.589182772e+00 -1.840869774e+00 4.16 -1.026913054e+00 -1.554837614e+00 -1.804309176e+00 4.18 -9.965987872e-01 -1.520919111e+00 -1.767969944e+00 4.20 -9.667221083e-01 -1.487424842e+00 -1.731861137e+00 4.22 -9.373032965e-01 -1.454352412e+00 -1.695992483e+00 4.24 -9.083619302e-01 -1.421698749e+00 -1.660373226e+00 4.26 -8.799163748e-01 -1.389459438e+00 -1.625010870e+00 4.28 -8.519832639e-01 -1.357628384e+00 -1.589911706e+00 4.30 -8.245769685e-01 -1.326197444e+00 -1.555082718e+00 4.32 -7.977090581e-01 -1.295156012e+00 -1.520531743e+00 4.34 -7.713877681e-01 -1.264490597e+00 -1.486267333e+00 4.36 -7.456174794e-01 -1.234185920e+00 -1.452298616e+00 4.38 -7.203981190e-01 -1.204229262e+00 -1.418635162e+00 4.40 -6.957247263e-01 -1.174611641e+00 -1.385286853e+00 4.42 -6.715868148e-01 -1.145327439e+00 -1.352263757e+00 4.44 -6.479678946e-01 -1.116374002e+00 -1.319576007e+00 4.46 -6.248449752e-01 -1.087751260e+00 -1.287233689e+00 4.48 -6.021880233e-01 -1.059461358e+00 -1.255246741e+00 4.50 -5.799615866e-01 -1.031508289e+00 -1.223624857e+00 4.52 -5.581326551e-01 -1.003897592e+00 -1.192377405e+00 4.54 -5.366738116e-01 -9.766359861e-01 -1.161513355e+00 4.56 -5.155629668e-01 -9.497311329e-01 -1.131041218e+00 4.58 -4.947829897e-01 -9.231913152e-01 -1.100969008e+00 4.60 -4.743212755e-01 -8.970252035e-01 -1.071304204e+00 4.62 -4.541697580e-01 -8.712416413e-01 -1.042053740e+00 4.64 -4.343255276e-01 -8.458494399e-01 -1.013224009e+00 4.66 -4.147874114e-01 -8.208572067e-01 -9.848208807e-01 4.68 -3.955599432e-01 -7.962731969e-01 -9.568497383e-01 4.70 -3.766512936e-01 -7.721051979e-01 -9.293155417e-01 4.72 -3.580684857e-01 -7.483605682e-01 -9.022229038e-01 4.74 -3.398292484e-01 -7.250460315e-01 -8.755761902e-01 4.76 -3.219459747e-01 -7.021674622e-01 -8.493796408e-01 4.78 -3.044275505e-01 -6.797307185e-01 -8.236375178e-01 4.80 -2.873344199e-01 -6.577407555e-01 -7.983542768e-01 4.82 -2.703416935e-01 -6.362017965e-01 -7.735346454e-01 4.84 -2.538063748e-01 -6.151180614e-01 -7.491828028e-01 4.86 -2.382370624e-01 -5.944904198e-01 -7.253011815e-01 4.88 -2.239744716e-01 -5.743184407e-01 -7.018901551e-01 4.90 -2.109419271e-01 -5.546026688e-01 -6.789475749e-01 4.92 -1.983896740e-01 -5.353302614e-01 -6.564685191e-01 4.94 -1.858252516e-01 -5.165015778e-01 -6.344450017e-01 4.96 -1.719196586e-01 -4.981076309e-01 -6.128656349e-01 4.98 -1.560485149e-01 -4.800443864e-01 -5.917152819e-01 5.00 -1.383052140e-01 -4.623770617e-01 -5.709747206e-01 5.02 -1.196927415e-01 -4.451814316e-01 -5.506206589e-01 5.04 -1.017109889e-01 -4.284929985e-01 -5.306295107e-01 5.06 -8.519230479e-02 -4.123687662e-01 -5.109811701e-01 5.08 -7.050159569e-02 -3.967185855e-01 -4.916590046e-01 5.10 -5.772397931e-02 -3.813023794e-01 -4.726494340e-01 5.12 -4.678690980e-02 -3.659746678e-01 -4.539421719e-01 5.14 -3.753705111e-02 -3.506560901e-01 -4.355301160e-01 5.16 -2.978676954e-02 -3.353156569e-01 -4.174063858e-01 5.18 -2.334089635e-02 -3.199532238e-01 -3.995696865e-01 5.20 -1.801118059e-02 -3.045791161e-01 -3.820174823e-01 5.22 -1.362343663e-02 -2.892492380e-01 -3.647501737e-01 5.24 -1.002063144e-02 -2.741017214e-01 -3.477694415e-01 5.26 -7.063916061e-03 -2.592246187e-01 -3.310810711e-01 5.28 -4.632762466e-03 -2.447198516e-01 -3.146731425e-01 5.30 -2.624821295e-03 -2.304480797e-01 -2.985971079e-01 5.32 -9.557819044e-04 -2.165402034e-01 -2.825023837e-01 5.34 4.406708730e-04 -2.033977875e-01 -2.667445628e-01 5.36 1.612801189e-03 -1.912968941e-01 -2.519004965e-01 5.38 2.590853410e-03 -1.802936914e-01 -2.384604708e-01 5.40 3.392045788e-03 -1.693390744e-01 -2.260192679e-01 5.42 4.031017672e-03 -1.578916596e-01 -2.130717625e-01 5.44 4.522090285e-03 -1.459720801e-01 -1.988443534e-01 5.46 4.879235933e-03 -1.337834216e-01 -1.830012680e-01 5.48 5.116042296e-03 -1.210512127e-01 -1.657110456e-01 5.50 5.245678878e-03 -1.077803410e-01 -1.478650182e-01 5.52 5.280864468e-03 -9.424931518e-02 -1.307215849e-01 5.54 5.233834862e-03 -8.074910411e-02 -1.141764864e-01 5.56 5.116310477e-03 -6.761096957e-02 -9.802472390e-02 5.58 4.939463761e-03 -5.538050477e-02 -8.231378099e-02 5.60 4.713886539e-03 -4.438316064e-02 -6.721481097e-02 5.62 4.449557635e-03 -3.474399389e-02 -5.329286307e-02 5.64 4.155811238e-03 -2.646237258e-02 -4.095560466e-02 5.66 3.841306614e-03 -1.946377007e-02 -3.033213801e-02 5.68 3.513999861e-03 -1.363462776e-02 -2.138643976e-02 5.70 3.181118441e-03 -8.844966074e-03 -1.399264728e-02 5.72 2.849139336e-03 -4.962347231e-03 -7.983183640e-03 5.74 2.523771628e-03 -1.859914355e-03 -3.178053354e-03 5.76 2.209944433e-03 5.794763833e-04 5.985004525e-04 5.78 1.911801035e-03 2.461574894e-03 3.509485430e-03 5.80 1.632700167e-03 3.880488699e-03 5.701626250e-03 5.82 1.375225331e-03 4.919180756e-03 7.304646878e-03 5.84 1.141203096e-03 5.650274808e-03 8.431958803e-03 5.86 9.317312955e-04 6.136907739e-03 9.181887905e-03 5.88 7.472180450e-04 6.433492191e-03 9.638951100e-03 5.90 5.874325280e-04 6.586334439e-03 9.874946046e-03 5.92 4.515684655e-04 6.634102887e-03 9.949775136e-03 5.94 3.383212123e-04 6.608170389e-03 9.912015358e-03 5.96 2.459794148e-04 6.532865872e-03 9.799289629e-03 5.98 1.725321690e-04 6.425672936e-03 9.638509404e-03 6.00 1.157926232e-04 6.297369771e-03 9.446054657e-03