# 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 = Cu3Ni # 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 1.130005604e+02 nan nan 1.16 1.028300242e+02 nan nan 1.18 9.354702016e+01 nan nan 1.20 8.507406400e+01 nan nan 1.22 7.733994308e+01 nan nan 1.24 7.027681686e+01 nan nan 1.26 6.382212644e+01 nan nan 1.28 5.792062224e+01 9.583014438e+01 1.119572706e+02 1.30 5.252317342e+01 8.782844364e+01 1.028954768e+02 1.32 4.758439853e+01 8.046665930e+01 9.454075248e+01 1.34 4.306203060e+01 7.368554631e+01 8.683638500e+01 1.36 3.891811675e+01 6.743483390e+01 7.973036591e+01 1.38 3.512021891e+01 6.167253492e+01 7.317471523e+01 1.40 3.164106356e+01 5.636236981e+01 6.712534410e+01 1.42 2.845664802e+01 5.147164072e+01 6.154183795e+01 1.44 2.554398597e+01 4.696977094e+01 5.638724410e+01 1.46 2.288057636e+01 4.282712671e+01 5.162781321e+01 1.48 2.044471473e+01 3.901437175e+01 4.723236367e+01 1.50 1.821650072e+01 3.550282785e+01 4.317172501e+01 1.52 1.617849020e+01 3.226568673e+01 3.941900066e+01 1.54 1.431547676e+01 2.927907128e+01 3.595028379e+01 1.56 1.261369283e+01 2.652197537e+01 3.274482130e+01 1.58 1.106002078e+01 2.397577770e+01 2.978440198e+01 1.60 9.641620864e+00 2.162401274e+01 2.705244135e+01 1.62 8.345990291e+00 1.945232570e+01 2.453326412e+01 1.64 7.161246934e+00 1.744857166e+01 2.221175076e+01 1.66 6.076491272e+00 1.560240655e+01 2.007257034e+01 1.68 5.082187017e+00 1.390444429e+01 1.809994488e+01 1.70 4.170442785e+00 1.234536519e+01 1.627813291e+01 1.72 3.335025712e+00 1.091531321e+01 1.459253094e+01 1.74 2.571054153e+00 9.603769599e+00 1.303072362e+01 1.76 1.874507561e+00 8.399917820e+00 1.158280584e+01 1.78 1.241759042e+00 7.293316627e+00 1.024091343e+01 1.80 6.692518490e-01 6.274575195e+00 8.998440637e+00 1.82 1.533301925e-01 5.335757930e+00 7.849434679e+00 1.84 -3.098204920e-01 4.470398903e+00 6.788343340e+00 1.86 -7.241733742e-01 3.673194470e+00 5.810010367e+00 1.88 -1.093831007e+00 2.939570145e+00 4.909712638e+00 1.90 -1.422974523e+00 2.265316029e+00 4.083090138e+00 1.92 -1.715785758e+00 1.646390065e+00 3.325944863e+00 1.94 -1.976339577e+00 1.078888148e+00 2.633984372e+00 1.96 -2.208472908e+00 5.591187943e-01 2.002622023e+00 1.98 -2.415645404e+00 8.369891932e-02 1.426931299e+00 2.00 -2.600818468e+00 -3.503969434e-01 9.017991530e-01 2.02 -2.766389616e+00 -7.458581462e-01 4.222377628e-01 2.04 -2.914209159e+00 -1.105110098e+00 -1.627183943e-02 2.06 -3.045674077e+00 -1.430397892e+00 -4.175525911e-01 2.08 -3.161863153e+00 -1.723850422e+00 -7.846982070e-01 2.10 -3.263669814e+00 -1.987514116e+00 -1.120203348e+00 2.12 -3.351904843e+00 -2.223362646e+00 -1.426164529e+00 2.14 -3.427358040e+00 -2.433297040e+00 -1.704468603e+00 2.16 -3.490836123e+00 -2.619149678e+00 -1.956929167e+00 2.18 -3.543177690e+00 -2.782698584e+00 -2.185365283e+00 2.20 -3.585251965e+00 -2.925689625e+00 -2.391628037e+00 2.22 -3.617943782e+00 -3.049858568e+00 -2.577579399e+00 2.24 -3.642129370e+00 -3.156945772e+00 -2.745030116e+00 2.26 -3.659309015e+00 -3.248702016e+00 -2.895654604e+00 2.28 -3.669794856e+00 -3.326887577e+00 -3.030912688e+00 2.30 -3.673110781e+00 -3.393262357e+00 -3.152007455e+00 2.32 -3.669010074e+00 -3.449553652e+00 -3.259891842e+00 2.34 -3.657471945e+00 -3.497392992e+00 -3.355314727e+00 2.36 -3.638700919e+00 -3.538229923e+00 -3.438884655e+00 2.38 -3.613110919e+00 -3.573243822e+00 -3.511131077e+00 2.40 -3.581349017e+00 -3.603293935e+00 -3.572548714e+00 2.42 -3.544240931e+00 -3.628927999e+00 -3.623632777e+00 2.44 -3.502609191e+00 -3.650552006e+00 -3.664902496e+00 2.46 -3.457215756e+00 -3.668776565e+00 -3.696921322e+00 2.48 -3.408737256e+00 -3.683026871e+00 -3.720319109e+00 2.50 -3.357757371e+00 -3.692530018e+00 -3.735815692e+00 2.52 -3.304767584e+00 -3.696733562e+00 -3.744441393e+00 2.54 -3.250171262e+00 -3.695268801e+00 -3.747579267e+00 2.56 -3.194290695e+00 -3.687916779e+00 -3.745336260e+00 2.58 -3.137377592e+00 -3.674580543e+00 -3.737916214e+00 2.60 -3.079625515e+00 -3.655274828e+00 -3.725696311e+00 2.62 -3.021181537e+00 -3.630167134e+00 -3.709133815e+00 2.64 -2.962155623e+00 -3.599546553e+00 -3.688679610e+00 2.66 -2.902628560e+00 -3.563780706e+00 -3.664715953e+00 2.68 -2.842660257e+00 -3.523320228e+00 -3.637559955e+00 2.70 -2.782299376e+00 -3.478698412e+00 -3.607495785e+00 2.72 -2.721593570e+00 -3.430517553e+00 -3.574717574e+00 2.74 -2.660598497e+00 -3.379419326e+00 -3.539353472e+00 2.76 -2.599383844e+00 -3.326042254e+00 -3.501499838e+00 2.78 -2.538035491e+00 -3.270975124e+00 -3.461246097e+00 2.80 -2.476653973e+00 -3.214717924e+00 -3.418689504e+00 2.82 -2.415350234e+00 -3.157659682e+00 -3.373941578e+00 2.84 -2.354239982e+00 -3.100076667e+00 -3.327128806e+00 2.86 -2.293437949e+00 -3.042147875e+00 -3.278390024e+00 2.88 -2.233053064e+00 -2.983980609e+00 -3.227872322e+00 2.90 -2.173185092e+00 -2.925638289e+00 -3.175726709e+00 2.92 -2.113922952e+00 -2.867164596e+00 -3.122104349e+00 2.94 -2.055344507e+00 -2.808600902e+00 -3.067153832e+00 2.96 -1.997517442e+00 -2.749996489e+00 -3.011019813e+00 2.98 -1.940500715e+00 -2.691412630e+00 -2.953843171e+00 3.00 -1.884346085e+00 -2.632922277e+00 -2.895762794e+00 3.02 -1.829099325e+00 -2.574607124e+00 -2.836918868e+00 3.04 -1.774800892e+00 -2.516553486e+00 -2.777457316e+00 3.06 -1.721486015e+00 -2.458848011e+00 -2.717534637e+00 3.08 -1.669184302e+00 -2.401573811e+00 -2.657322000e+00 3.10 -1.617919096e+00 -2.344807301e+00 -2.597007132e+00 3.12 -1.567706793e+00 -2.288615807e+00 -2.536792546e+00 3.14 -1.518556337e+00 -2.233055923e+00 -2.476889199e+00 3.16 -1.470469017e+00 -2.178172548e+00 -2.417505714e+00 3.18 -1.423438591e+00 -2.123998568e+00 -2.358834657e+00 3.20 -1.377451702e+00 -2.070555170e+00 -2.301038518e+00 3.22 -1.332488496e+00 -2.017852749e+00 -2.244238445e+00 3.24 -1.288523319e+00 -1.965892414e+00 -2.188508203e+00 3.26 -1.245525433e+00 -1.914667982e+00 -2.133874505e+00 3.28 -1.203459665e+00 -1.864168323e+00 -2.080323205e+00 3.30 -1.162287017e+00 -1.814379856e+00 -2.027809629e+00 3.32 -1.121965224e+00 -1.765288928e+00 -1.976270722e+00 3.34 -1.082449364e+00 -1.716883833e+00 -1.925636815e+00 3.36 -1.043692550e+00 -1.669156251e+00 -1.875841426e+00 3.38 -1.005646850e+00 -1.622101963e+00 -1.826828233e+00 3.40 -9.682645023e-01 -1.575720831e+00 -1.778555054e+00 3.42 -9.314995708e-01 -1.530016087e+00 -1.730995162e+00 3.44 -8.953101045e-01 -1.484993126e+00 -1.684136524e+00 3.46 -8.596608546e-01 -1.440657990e+00 -1.637979689e+00 3.48 -8.245264803e-01 -1.397015780e+00 -1.592534956e+00 3.50 -7.898950357e-01 -1.354069212e+00 -1.547819381e+00 3.52 -7.557713457e-01 -1.311817463e+00 -1.503854008e+00 3.54 -7.221796947e-01 -1.270255421e+00 -1.460661529e+00 3.56 -6.891651174e-01 -1.229373411e+00 -1.418264490e+00 3.58 -6.567925831e-01 -1.189157396e+00 -1.376683999e+00 3.60 -6.251435576e-01 -1.149589680e+00 -1.335938877e+00 3.62 -5.943098357e-01 -1.110650084e+00 -1.296045145e+00 3.64 -5.643851125e-01 -1.072317600e+00 -1.257015730e+00 3.66 -5.354553437e-01 -1.034572492e+00 -1.218860315e+00 3.68 -5.075893613e-01 -9.973988023e-01 -1.181585267e+00 3.70 -4.808312813e-01 -9.607871657e-01 -1.145193617e+00 3.72 -4.551959360e-01 -9.247377422e-01 -1.109685054e+00 3.74 -4.306679588e-01 -8.892629961e-01 -1.075055954e+00 3.76 -4.072044595e-01 -8.543899325e-01 -1.041299422e+00 3.78 -3.847406399e-01 -8.201613346e-01 -1.008405359e+00 3.80 -3.631973581e-01 -7.866355493e-01 -9.763605481e-01 3.82 -3.424895655e-01 -7.538844713e-01 -9.451487501e-01 3.84 -3.225346507e-01 -7.219896069e-01 -9.147508076e-01 3.86 -3.032599259e-01 -6.910364198e-01 -8.851447443e-01 3.88 -2.846086885e-01 -6.611075136e-01 -8.563058546e-01 3.90 -2.665444576e-01 -6.322754888e-01 -8.282067776e-01 3.92 -2.490531055e-01 -6.045964355e-01 -8.008175524e-01 3.94 -2.321427233e-01 -5.781049368e-01 -7.741056547e-01 3.96 -2.158412162e-01 -5.528111801e-01 -7.480360171e-01 3.98 -2.001918288e-01 -5.287003806e-01 -7.225710417e-01 4.00 -1.852470522e-01 -5.057343261e-01 -6.976706141e-01 4.02 -1.710616040e-01 -4.838545570e-01 -6.732921343e-01 4.04 -1.576853385e-01 -4.629865429e-01 -6.493905844e-01 4.06 -1.451569695e-01 -4.430442282e-01 -6.259186572e-01 4.08 -1.334993521e-01 -4.239344319e-01 -6.028269771e-01 4.10 -1.227167896e-01 -4.055607659e-01 -5.800644492e-01 4.12 -1.127944849e-01 -3.878269146e-01 -5.575787788e-01 4.14 -1.036999206e-01 -3.706392637e-01 -5.353172074e-01 4.16 -9.538570813e-02 -3.539089746e-01 -5.132275134e-01 4.18 -8.779333476e-02 -3.375536502e-01 -4.912593236e-01 4.20 -8.085724098e-02 -3.214987519e-01 -4.693657703e-01 4.22 -7.450876654e-02 -3.056789131e-01 -4.475055124e-01 4.24 -6.867964723e-02 -2.900392531e-01 -4.256451048e-01 4.26 -6.330480781e-02 -2.745367417e-01 -4.037616573e-01 4.28 -5.832446473e-02 -2.591416020e-01 -3.818456623e-01 4.30 -5.368627841e-02 -2.438386706e-01 -3.599038003e-01 4.32 -4.934567582e-02 -2.286285686e-01 -3.379614611e-01 4.34 -4.526624366e-02 -2.135284845e-01 -3.160646504e-01 4.36 -4.141970949e-02 -1.985723363e-01 -2.942809220e-01 4.38 -3.778550103e-02 -1.838100884e-01 -2.726989865e-01 4.40 -3.434995201e-02 -1.693060474e-01 -2.514267254e-01 4.42 -3.110522278e-02 -1.551360608e-01 -2.305874916e-01 4.44 -2.804801625e-02 -1.413836811e-01 -2.103147847e-01 4.46 -2.517817850e-02 -1.281355195e-01 -1.907456291e-01 4.48 -2.249728896e-02 -1.154761577e-01 -1.720132103e-01 4.50 -2.000734809e-02 -1.034830894e-01 -1.542394764e-01 4.52 -1.770944543e-02 -9.222219015e-02 -1.375284620e-01 4.54 -1.560313885e-02 -8.174415653e-02 -1.219610108e-01 4.56 -1.368636050e-02 -7.208222499e-02 -1.075913752e-01 4.58 -1.195463331e-02 -6.325130200e-02 -9.444591176e-02 4.60 -1.040111815e-02 -5.524845149e-02 -8.252380261e-02 4.62 -9.016886260e-03 -4.805452935e-02 -7.179950050e-02 4.64 -7.791334182e-03 -4.163665039e-02 -6.222643238e-02 4.66 -6.712669597e-03 -3.595113187e-02 -5.374143537e-02 4.68 -5.768406311e-03 -3.094658943e-02 -4.626942256e-02 4.70 -4.945822172e-03 -2.656689849e-02 -3.972785857e-02 4.72 -4.232350341e-03 -2.275336092e-02 -3.403074816e-02 4.74 -3.615889581e-03 -1.944756232e-02 -2.909197030e-02 4.76 -3.085031230e-03 -1.659377697e-02 -2.482781995e-02 4.78 -2.629208803e-03 -1.413901339e-02 -2.115823076e-02 4.80 -2.238781061e-03 -1.203390646e-02 -1.800995427e-02 4.82 -1.905061404e-03 -1.023327902e-02 -1.531620764e-02 4.84 -1.620306506e-03 -8.696379571e-03 -1.301650645e-02 4.86 -1.377675998e-03 -7.386882677e-03 -1.105678662e-02 4.88 -1.171173174e-03 -6.272724175e-03 -9.389236117e-03 4.90 -9.955747490e-04 -5.325830439e-03 -7.971939169e-03 4.92 -8.463557626e-04 -4.521787104e-03 -6.768411247e-03 4.94 -7.196140619e-04 -3.839480797e-03 -5.747081702e-03 4.96 -6.119973975e-04 -3.260737523e-03 -4.880763954e-03 4.98 -5.206350578e-04 -2.769973497e-03 -4.146139687e-03 5.00 -4.430751426e-04 -2.353868245e-03 -3.523273553e-03 5.02 -3.772279633e-04 -2.001065378e-03 -2.995167605e-03 5.04 -3.213156419e-04 -1.701903358e-03 -2.547359603e-03 5.06 -2.738276959e-04 -1.448176442e-03 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-1.301177668e-06 -6.561964933e-06 -9.819198340e-06 5.80 -1.133857243e-06 -5.712092885e-06 -8.547435082e-06 5.82 -9.885774177e-07 -4.974993612e-06 -7.444432023e-06 5.84 -8.623653044e-07 -4.335342072e-06 -6.487255014e-06 5.86 -7.526584174e-07 -3.779944980e-06 -5.656160236e-06 5.88 -6.572467201e-07 -3.297437439e-06 -4.934140169e-06 5.90 -5.742230362e-07 -2.878023707e-06 -4.306535614e-06 5.92 -5.019405947e-07 -2.513255546e-06 -3.760703970e-06 5.94 -4.389766586e-07 -2.195842580e-06 -3.285735413e-06 5.96 -3.841013474e-07 -1.919489946e-06 -2.872209926e-06 5.98 -3.362508955e-07 -1.678759220e-06 -2.511989164e-06 6.00 -2.945047020e-07 -1.468949210e-06 -2.198038052e-06