# 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 = CuPt3 # 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 3.749662748e+02 nan nan 1.16 3.477165122e+02 nan nan 1.18 3.224029438e+02 nan nan 1.20 2.988538418e+02 nan nan 1.22 2.769343961e+02 nan nan 1.24 2.565343605e+02 nan nan 1.26 2.375518962e+02 nan nan 1.28 2.198771777e+02 3.303417398e+02 3.739157769e+02 1.30 2.033948262e+02 3.081122418e+02 3.495759546e+02 1.32 1.880035847e+02 2.873163880e+02 3.267866433e+02 1.34 1.736276287e+02 2.678633157e+02 3.054133394e+02 1.36 1.602066822e+02 2.496572638e+02 2.853561100e+02 1.38 1.476797300e+02 2.325998720e+02 2.665401032e+02 1.40 1.359807599e+02 2.166008548e+02 2.488967658e+02 1.42 1.250454141e+02 2.015882188e+02 2.323535808e+02 1.44 1.148161332e+02 1.875074223e+02 2.168344393e+02 1.46 1.052401268e+02 1.743103790e+02 2.022636883e+02 1.48 9.626445496e+01 1.619458134e+02 1.885701436e+02 1.50 8.783440541e+01 1.503573932e+02 1.756894133e+02 1.52 7.989662963e+01 1.394857734e+02 1.635642097e+02 1.54 7.240438894e+01 1.292703174e+02 1.521438221e+02 1.56 6.532182852e+01 1.196512003e+02 1.413828070e+02 1.58 5.862513249e+01 1.105730564e+02 1.312388258e+02 1.60 5.233853437e+01 1.019888035e+02 1.216715795e+02 1.62 4.661011835e+01 9.386136622e+01 1.126438955e+02 1.64 4.141698133e+01 8.616222762e+01 1.041228278e+02 1.66 3.671327073e+01 7.886803468e+01 9.607870025e+01 1.68 3.245362918e+01 7.195805813e+01 8.848300620e+01 1.70 2.859574495e+01 6.541406087e+01 8.130711160e+01 1.72 2.510204184e+01 5.922110357e+01 7.452214940e+01 1.74 2.193989381e+01 5.338260873e+01 6.809944120e+01 1.76 1.908057761e+01 4.802034484e+01 6.201122164e+01 1.78 1.649773845e+01 4.312929960e+01 5.623193430e+01 1.80 1.416615743e+01 3.866606660e+01 5.081081991e+01 1.82 1.206129863e+01 3.458874623e+01 4.582565793e+01 1.84 1.015970948e+01 3.085951783e+01 4.124732666e+01 1.86 8.439886590e+00 2.744615164e+01 3.704920506e+01 1.88 6.882990356e+00 2.432205448e+01 3.320525676e+01 1.90 5.473029092e+00 2.146512365e+01 2.968854897e+01 1.92 4.196556154e+00 1.885604797e+01 2.647164076e+01 1.94 3.042144286e+00 1.647676257e+01 2.352800961e+01 1.96 1.999875086e+00 1.430952778e+01 2.083334991e+01 1.98 1.060962427e+00 1.233672799e+01 1.836609159e+01 2.00 2.175191495e-01 1.054119020e+01 1.610715315e+01 2.02 -5.375951706e-01 8.906698018e+00 1.403932873e+01 2.04 -1.210926058e+00 7.418416701e+00 1.214675453e+01 2.06 -1.808617362e+00 6.063087616e+00 1.041469786e+01 2.08 -2.336620512e+00 4.828991869e+00 8.829634875e+00 2.10 -2.800846987e+00 3.705759088e+00 7.379419962e+00 2.12 -3.207199045e+00 2.684114837e+00 6.053357280e+00 2.14 -3.561472376e+00 1.755649922e+00 4.842087247e+00 2.16 -3.869189046e+00 9.126663444e-01 3.737305316e+00 2.18 -4.135440109e+00 1.481108160e-01 2.731402181e+00 2.20 -4.364786135e+00 -5.444340535e-01 1.817146375e+00 2.22 -4.561218218e+00 -1.170745266e+00 9.875097108e-01 2.24 -4.728160299e+00 -1.735973117e+00 2.356651114e-01 2.26 -4.868498945e+00 -2.244682725e+00 -4.448952051e-01 2.28 -4.984636462e+00 -2.700919104e+00 -1.060212529e+00 2.30 -5.078563924e+00 -3.108287402e+00 -1.615759382e+00 2.32 -5.153497772e+00 -3.470039853e+00 -2.116411038e+00 2.34 -5.213715333e+00 -3.789160542e+00 -2.566483467e+00 2.36 -5.259475356e+00 -4.068440013e+00 -2.969815853e+00 2.38 -5.291002012e+00 -4.310535349e+00 -3.329876129e+00 2.40 -5.308646401e+00 -4.518016265e+00 -3.649870693e+00 2.42 -5.312888463e+00 -4.693400486e+00 -3.932839515e+00 2.44 -5.304323598e+00 -4.839181748e+00 -4.181717667e+00 2.46 -5.283633458e+00 -4.957853699e+00 -4.399350681e+00 2.48 -5.251551031e+00 -5.051932587e+00 -4.588466014e+00 2.50 -5.208838505e+00 -5.123977121e+00 -4.751619613e+00 2.52 -5.156294979e+00 -5.177705157e+00 -4.891143864e+00 2.54 -5.094797555e+00 -5.218537330e+00 -5.009116390e+00 2.56 -5.025359818e+00 -5.248573309e+00 -5.107354132e+00 2.58 -4.949176451e+00 -5.269112316e+00 -5.187425205e+00 2.60 -4.867621833e+00 -5.281336843e+00 -5.252450265e+00 2.62 -4.782186475e+00 -5.286221161e+00 -5.305406833e+00 2.64 -4.694526038e+00 -5.284491074e+00 -5.346373308e+00 2.66 -4.605999324e+00 -5.276636041e+00 -5.375422007e+00 2.68 -4.517520610e+00 -5.262956704e+00 -5.392658947e+00 2.70 -4.429747324e+00 -5.243624263e+00 -5.398263747e+00 2.72 -4.343077952e+00 -5.218732952e+00 -5.392542560e+00 2.74 -4.257689424e+00 -5.188336521e+00 -5.375984645e+00 2.76 -4.173592412e+00 -5.152468709e+00 -5.349308751e+00 2.78 -4.090687252e+00 -5.111153247e+00 -5.313482875e+00 2.80 -4.008813142e+00 -5.064410633e+00 -5.269702968e+00 2.82 -3.927797586e+00 -5.012267739e+00 -5.219324744e+00 2.84 -3.847466609e+00 -4.954778754e+00 -5.163757043e+00 2.86 -3.767651441e+00 -4.892178168e+00 -5.104339471e+00 2.88 -3.688197975e+00 -4.824604260e+00 -5.042233809e+00 2.90 -3.608971259e+00 -4.752224153e+00 -4.978353713e+00 2.92 -3.529856975e+00 -4.675362471e+00 -4.913352766e+00 2.94 -3.450761357e+00 -4.594511182e+00 -4.847793301e+00 2.96 -3.371610561e+00 -4.510319793e+00 -4.781799404e+00 2.98 -3.292350006e+00 -4.423560948e+00 -4.715290598e+00 3.00 -3.212943807e+00 -4.335072880e+00 -4.648140341e+00 3.02 -3.133374258e+00 -4.245687737e+00 -4.580210459e+00 3.04 -3.053641317e+00 -4.156160265e+00 -4.511374259e+00 3.06 -2.973762066e+00 -4.067113279e+00 -4.441529363e+00 3.08 -2.893770159e+00 -3.979014925e+00 -4.370602470e+00 3.10 -2.813715253e+00 -3.892166213e+00 -4.298548460e+00 3.12 -2.733662287e+00 -3.806714999e+00 -4.225346199e+00 3.14 -2.653690473e+00 -3.722686909e+00 -4.151000060e+00 3.16 -2.573914614e+00 -3.640020270e+00 -4.075530329e+00 3.18 -2.494568480e+00 -3.558598556e+00 -3.998958115e+00 3.20 -2.415902868e+00 -3.478276827e+00 -3.921300142e+00 3.22 -2.338144284e+00 -3.398901392e+00 -3.842566439e+00 3.24 -2.261494938e+00 -3.320323424e+00 -3.762761164e+00 3.26 -2.186132364e+00 -3.242407945e+00 -3.681886907e+00 3.28 -2.112209065e+00 -3.165039542e+00 -3.599952310e+00 3.30 -2.039852490e+00 -3.088125875e+00 -3.516982375e+00 3.32 -1.969165518e+00 -3.011599581e+00 -3.433030358e+00 3.34 -1.900227505e+00 -2.935418897e+00 -3.348189705e+00 3.36 -1.833095847e+00 -2.859567094e+00 -3.262604068e+00 3.38 -1.767807901e+00 -2.784050775e+00 -3.176473275e+00 3.40 -1.704383152e+00 -2.708897169e+00 -3.090053248e+00 3.42 -1.642825414e+00 -2.634165649e+00 -3.003648544e+00 3.44 -1.583124943e+00 -2.559989113e+00 -2.917597465e+00 3.46 -1.525260308e+00 -2.486518958e+00 -2.832251228e+00 3.48 -1.469199994e+00 -2.413922628e+00 -2.747950194e+00 3.50 -1.414903689e+00 -2.342355844e+00 -2.665000989e+00 3.52 -1.362323285e+00 -2.271954039e+00 -2.583663511e+00 3.54 -1.311403617e+00 -2.202831874e+00 -2.504224898e+00 3.56 -1.262083071e+00 -2.135083121e+00 -2.426957990e+00 3.58 -1.214294102e+00 -2.068780962e+00 -2.352035495e+00 3.60 -1.167963776e+00 -2.003978680e+00 -2.279542101e+00 3.62 -1.123014426e+00 -1.940710749e+00 -2.209492124e+00 3.64 -1.079364525e+00 -1.878994259e+00 -2.141846980e+00 3.66 -1.036929855e+00 -1.818830672e+00 -2.076530775e+00 3.68 -9.956250638e-01 -1.760207861e+00 -2.013443166e+00 3.70 -9.553656880e-01 -1.703102367e+00 -1.952469418e+00 3.72 -9.160706780e-01 -1.647481809e+00 -1.893487964e+00 3.74 -8.776654431e-01 -1.593307318e+00 -1.836375992e+00 3.76 -8.400853480e-01 -1.540535852e+00 -1.781013586e+00 3.78 -8.032795104e-01 -1.489122216e+00 -1.727286805e+00 3.80 -7.672146238e-01 -1.439020632e+00 -1.675090005e+00 3.82 -7.318784016e-01 -1.390185750e+00 -1.624327531e+00 3.84 -6.972821124e-01 -1.342573053e+00 -1.574914848e+00 3.86 -6.634616041e-01 -1.296138761e+00 -1.526779095e+00 3.88 -6.304762281e-01 -1.250839381e+00 -1.479859092e+00 3.90 -5.984052383e-01 -1.206631192e+00 -1.434104790e+00 3.92 -5.673415482e-01 -1.163469899e+00 -1.389476253e+00 3.94 -5.373831957e-01 -1.121310738e+00 -1.345942284e+00 3.96 -5.086233259e-01 -1.080109112e+00 -1.303478757e+00 3.98 -4.811399724e-01 -1.039821889e+00 -1.262066897e+00 4.00 -4.549870445e-01 -1.000409238e+00 -1.221691553e+00 4.02 -4.301878339e-01 -9.618369038e-01 -1.182339621e+00 4.04 -4.067319117e-01 -9.240786850e-01 -1.143998666e+00 4.06 -3.845756737e-01 -8.871188879e-01 -1.106655818e+00 4.08 -3.636461759e-01 -8.509544366e-01 -1.070296935e+00 4.10 -3.438474394e-01 -8.155963268e-01 -1.034906043e+00 4.12 -3.250681974e-01 -7.810701500e-01 -1.000465028e+00 4.14 -3.071900860e-01 -7.474153145e-01 -9.669535465e-01 4.16 -2.900954768e-01 -7.146829595e-01 -9.343491253e-01 4.18 -2.736744089e-01 -6.829324581e-01 -9.026274064e-01 4.20 -2.578303087e-01 -6.522267831e-01 -8.717625118e-01 4.22 -2.424843657e-01 -6.226271615e-01 -8.417274849e-01 4.24 -2.275784687e-01 -5.941876117e-01 -8.124947776e-01 4.26 -2.130767193e-01 -5.669500154e-01 -7.840367436e-01 4.28 -1.989654615e-01 -5.409403032e-01 -7.563260967e-01 4.30 -1.852518429e-01 -5.161661535e-01 -7.293362894e-01 4.32 -1.719609689e-01 -4.926163439e-01 -7.030417646e-01 4.34 -1.591318207e-01 -4.702616396e-01 -6.774180356e-01 4.36 -1.468122450e-01 -4.490568926e-01 -6.524415598e-01 4.38 -1.350534655e-01 -4.289439157e-01 -6.280893891e-01 4.40 -1.239046218e-01 -4.098546773e-01 -6.043386078e-01 4.42 -1.134079041e-01 -3.917144340e-01 -5.811656033e-01 4.44 -1.035947180e-01 -3.744445325e-01 -5.585452511e-01 4.46 -9.448318684e-02 -3.579647427e-01 -5.364501246e-01 4.48 -8.607709253e-02 -3.421950995e-01 -5.148498609e-01 4.50 -7.836616035e-02 -3.270573147e-01 -4.937108096e-01 4.52 -7.132744259e-02 -3.124758661e-01 -4.729960664e-01 4.54 -6.492746799e-02 -2.983788858e-01 -4.526660049e-01 4.56 -5.912480629e-02 -2.846989573e-01 -4.326792241e-01 4.58 -5.387273323e-02 -2.713739053e-01 -4.129940332e-01 4.60 -4.912175097e-02 -2.583476286e-01 -3.935702948e-01 4.62 -4.482180178e-02 -2.455709958e-01 -3.743715721e-01 4.64 -4.092408901e-02 -2.330027898e-01 -3.553674445e-01 4.66 -3.738248064e-02 -2.206106629e-01 -3.365358466e-01 4.68 -3.415451375e-02 -2.083720366e-01 -3.178652696e-01 4.70 -3.120203937e-02 -1.962748610e-01 -2.993566521e-01 4.72 -2.849156264e-02 -1.843181307e-01 -2.810247800e-01 4.74 -2.599432829e-02 -1.725120467e-01 -2.628990165e-01 4.76 -2.368609800e-02 -1.608777196e-01 -2.450232062e-01 4.78 -2.154696391e-02 -1.494463287e-01 -2.274546372e-01 4.80 -1.956120244e-02 -1.382576938e-01 -2.102620190e-01 4.82 -1.771639198e-02 -1.273582846e-01 -1.935225272e-01 4.84 -1.600287504e-02 -1.167987257e-01 -1.773180749e-01 4.86 -1.441318547e-02 -1.066309871e-01 -1.617310767e-01 4.88 -1.294146916e-02 -9.690544248e-02 -1.468400506e-01 4.90 -1.158293727e-02 -8.766804599e-02 -1.327154397e-01 4.92 -1.033338405e-02 -7.895786166e-02 -1.194160233e-01 4.94 -9.188790293e-03 -7.080514350e-02 -1.069862081e-01 4.96 -8.145026464e-03 -6.323009589e-02 -9.545438852e-02 4.98 -7.197691689e-03 -5.624236296e-02 -8.483242573e-02 5.00 -6.341998919e-03 -4.984121343e-02 -7.511617420e-02 5.02 -5.572761014e-03 -4.401631946e-02 -6.628688243e-02 5.04 -4.884442674e-03 -3.874898340e-02 -5.831323168e-02 5.06 -4.271743797e-03 -3.401364557e-02 -5.115375598e-02 5.08 -3.730197400e-03 -2.977951221e-02 -4.475940061e-02 5.10 -3.252696064e-03 -2.601220111e-02 -3.907601560e-02 5.12 -2.832498936e-03 -2.267521757e-02 -3.404663363e-02 5.14 -2.463488117e-03 -1.973126309e-02 -2.961343638e-02 5.16 -2.140096441e-03 -1.714342161e-02 -2.571936059e-02 5.18 -1.857254737e-03 -1.487711037e-02 -2.230933259e-02 5.20 -1.610352796e-03 -1.289759732e-02 -1.933121810e-02 5.22 -1.395208911e-03 -1.117216083e-02 -1.673638066e-02 5.24 -1.208043949e-03 -9.670951217e-03 -1.448002330e-02 5.26 -1.045457231e-03 -8.367072679e-03 -1.252180491e-02 5.28 -9.044026323e-04 -7.236629957e-03 -1.082670555e-02 5.30 -7.821641952e-04 -6.257475881e-03 -9.360238733e-03 5.32 -6.763311631e-04 -5.410003152e-03 -8.091906261e-03 5.34 -5.847726822e-04 -4.676982668e-03 -6.995209447e-03 5.36 -5.056125990e-04 -4.043304652e-03 -6.047328037e-03 5.38 -4.372048068e-04 -3.495746277e-03 -5.228365379e-03 5.40 -3.781095542e-04 -3.022761089e-03 -4.520985445e-03 5.42 -3.270710442e-04 -2.614287570e-03 -3.910104735e-03 5.44 -2.829965583e-04 -2.261575288e-03 -3.382618856e-03 5.46 -2.449372427e-04 -1.957027546e-03 -2.927159090e-03 5.48 -2.120706170e-04 -1.694059659e-03 -2.533875638e-03 5.50 -1.836847988e-04 -1.466971975e-03 -2.194244938e-03 5.52 -1.591643888e-04 -1.270836714e-03 -1.900898886e-03 5.54 -1.379779292e-04 -1.101397639e-03 -1.647473405e-03 5.56 -1.196668221e-04 -9.549815056e-04 -1.428477912e-03 5.58 -1.038355895e-04 -8.284202578e-04 -1.239175247e-03 5.60 -9.014334526e-05 -7.189829075e-04 -1.075482203e-03 5.62 -7.829635719e-05 -6.243160952e-04 -9.338800187e-04 5.64 -6.804157756e-05 -5.423923718e-04 -8.113370816e-04 5.66 -5.916103089e-05 -4.714653086e-04 -7.052418456e-04 5.68 -5.146695532e-05 -4.100306156e-04 -6.133447333e-04 5.70 -4.479760361e-05 -3.567925221e-04 -5.337079014e-04 5.72 -3.901361959e-05 -3.106347518e-04 -4.646618674e-04 5.74 -3.399491454e-05 -2.705954928e-04 -4.047681043e-04 5.76 -2.963797715e-05 -2.358458349e-04 -3.527868142e-04 5.78 -2.585355860e-05 -2.056712086e-04 -3.076491840e-04 5.80 -2.256468139e-05 -1.794554172e-04 -2.684335161e-04 5.82 -1.970492751e-05 -1.566669058e-04 -2.343447006e-04 5.84 -1.721696695e-05 -1.368469589e-04 -2.046965680e-04 5.86 -1.505129318e-05 -1.195995555e-04 -1.788967214e-04 5.88 -1.316513651e-05 -1.045826523e-04 -1.564335005e-04 5.90 -1.152153014e-05 -9.150069185e-05 -1.368647789e-04 5.92 -1.008850758e-05 -8.009816525e-05 -1.198083354e-04 5.94 -8.838412677e-06 -7.015407797e-05 -1.049335781e-04 5.96 -7.747306443e-06 -6.147719296e-05 -9.195442893e-05 5.98 -6.794456834e-06 -5.390194000e-05 -8.062320507e-05 6.00 -5.961899877e-06 -4.728489724e-05 -7.072535624e-05