# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2019--Mendelev-M-I-Sun-Y-Zhang-F-et-al--Cu-Zr # implementation = EAM_Mendelev_2019_CuZr__MO_945018740343_000 # composition = CuZr3 # 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 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 nan nan nan 1.16 nan nan nan 1.18 nan nan nan 1.20 nan nan nan 1.22 nan nan nan 1.24 3.814017228e+04 nan nan 1.26 3.068771991e+04 nan nan 1.28 2.474576830e+04 nan nan 1.30 1.999649461e+04 nan nan 1.32 1.619133859e+04 nan nan 1.34 1.313548659e+04 4.340253151e+04 nan 1.36 1.067585967e+04 3.551356579e+04 nan 1.38 8.691895696e+03 2.911412073e+04 4.250618934e+04 1.40 7.088325145e+03 2.391200915e+04 3.497869139e+04 1.42 5.789635252e+03 1.967434373e+04 2.883687024e+04 1.44 4.735889854e+03 1.621526386e+04 2.381490712e+04 1.46 3.879396271e+03 1.338602142e+04 1.970015943e+04 1.48 3.182057245e+03 1.106751311e+04 1.632212847e+04 1.50 2.613353423e+03 9.164089156e+03 1.354358357e+04 1.52 2.148806544e+03 7.598636216e+03 1.125378232e+04 1.54 1.768784447e+03 6.308867157e+03 9.363283205e+03 1.56 1.457501903e+03 5.244422881e+03 7.799792329e+03 1.58 1.202205145e+03 4.364510097e+03 6.504759493e+03 1.60 9.925605654e+02 3.636026772e+03 5.430541989e+03 1.62 8.201829007e+02 3.032071465e+03 4.538260001e+03 1.64 6.782744709e+02 2.530741814e+03 3.796161743e+03 1.66 5.613245761e+02 2.114155441e+03 3.178291720e+03 1.68 4.648506212e+02 1.767649016e+03 2.663312742e+03 1.70 3.851912732e+02 1.479151418e+03 2.233681385e+03 1.72 3.193493313e+02 1.238715646e+03 1.874921719e+03 1.74 2.648665657e+02 1.038151246e+03 1.575064603e+03 1.76 2.197270135e+02 8.707090362e+02 1.324205586e+03 1.78 1.822853405e+02 7.308128893e+02 1.114144031e+03 1.80 1.511984335e+02 6.138420559e+02 9.380894329e+02 1.82 1.253661586e+02 5.159608408e+02 7.904094965e+02 1.84 1.038850124e+02 4.339844851e+02 6.664262519e+02 1.86 8.601132649e+01 3.652703605e+02 5.622517465e+02 1.88 7.113123903e+01 3.076262982e+02 4.746539682e+02 1.90 5.878001357e+01 2.592296475e+02 4.009417270e+02 1.92 4.854808301e+01 2.185471664e+02 3.388681915e+02 1.94 4.005860103e+01 1.843282282e+02 2.865520612e+02 1.96 3.300217326e+01 1.554947649e+02 2.424148946e+02 1.98 2.710166952e+01 1.311589532e+02 2.051396265e+02 2.00 2.219315627e+01 1.105895897e+02 1.736308914e+02 2.02 1.808304165e+01 9.320436732e+01 1.469751608e+02 2.04 1.463259233e+01 7.849844071e+01 1.244073333e+02 2.06 1.172731231e+01 6.604500875e+01 1.052845685e+02 2.08 9.272983653e+00 5.548924423e+01 8.906678175e+01 2.10 7.192781830e+00 4.653622542e+01 7.530017257e+01 2.12 5.424678437e+00 3.894019979e+01 6.360435395e+01 2.14 3.917562354e+00 3.249485053e+01 5.366141734e+01 2.16 2.627017714e+00 2.702499377e+01 4.520330230e+01 2.18 1.512590521e+00 2.238037022e+01 3.800129646e+01 2.20 5.416188710e-01 1.843234194e+01 3.185764421e+01 2.22 -3.098654215e-01 1.505358263e+01 2.657380381e+01 2.24 -1.059952927e+00 1.218046062e+01 2.205054040e+01 2.26 -1.722825103e+00 9.716893574e+00 1.814678559e+01 2.28 -2.309560369e+00 7.593616998e+00 1.476756878e+01 2.30 -2.828204890e+00 5.753701788e+00 1.183745828e+01 2.32 -3.278837563e+00 4.166594644e+00 9.320464931e+00 2.34 -3.661781423e+00 2.807205415e+00 7.186391522e+00 2.36 -3.985155708e+00 1.637364131e+00 5.379177398e+00 2.38 -4.256175775e+00 6.275352332e-01 3.850936446e+00 2.40 -4.481337608e+00 -2.450519289e-01 2.560649031e+00 2.42 -4.666547514e+00 -9.982408226e-01 1.473072652e+00 2.44 -4.817278286e+00 -1.646794562e+00 5.576864690e-01 2.46 -4.938701468e+00 -2.203461286e+00 -2.121930846e-01 2.48 -5.035741762e+00 -2.679676744e+00 -8.600795470e-01 2.50 -5.113149248e+00 -3.086003972e+00 -1.406977303e+00 2.52 -5.175633763e+00 -3.432297861e+00 -1.871436339e+00 2.54 -5.228257855e+00 -3.727573662e+00 -2.269414841e+00 2.56 -5.276329830e+00 -3.979713124e+00 -2.614249504e+00 2.58 -5.323378119e+00 -4.195652014e+00 -2.917332358e+00 2.60 -5.370846858e+00 -4.381560379e+00 -3.188938129e+00 2.62 -5.418700862e+00 -4.542815146e+00 -3.438469377e+00 2.64 -5.465831064e+00 -4.684084285e+00 -3.672898392e+00 2.66 -5.510403053e+00 -4.809384924e+00 -3.896248652e+00 2.68 -5.550401560e+00 -4.922036915e+00 -4.110130561e+00 2.70 -5.584508931e+00 -5.024625930e+00 -4.314256996e+00 2.72 -5.611823029e+00 -5.118999104e+00 -4.507161160e+00 2.74 -5.631132522e+00 -5.206304273e+00 -4.687009975e+00 2.76 -5.641262062e+00 -5.287053101e+00 -4.852032901e+00 2.78 -5.641806879e+00 -5.361211096e+00 -5.000823888e+00 2.80 -5.633121822e+00 -5.428315610e+00 -5.132559188e+00 2.82 -5.615142210e+00 -5.487617949e+00 -5.247113378e+00 2.84 -5.588094234e+00 -5.538240308e+00 -5.345045907e+00 2.86 -5.552469981e+00 -5.579342744e+00 -5.427441212e+00 2.88 -5.509347730e+00 -5.610297580e+00 -5.495587435e+00 2.90 -5.460235465e+00 -5.630861559e+00 -5.550620704e+00 2.92 -5.406776217e+00 -5.641473638e+00 -5.593667062e+00 2.94 -5.350507069e+00 -5.643470218e+00 -5.625950800e+00 2.96 -5.292650577e+00 -5.638374442e+00 -5.648720843e+00 2.98 -5.234091980e+00 -5.627136333e+00 -5.663166352e+00 3.00 -5.175385496e+00 -5.610454267e+00 -5.670362528e+00 3.02 -5.116789951e+00 -5.589373542e+00 -5.671565417e+00 3.04 -5.058364778e+00 -5.565824529e+00 -5.668496891e+00 3.06 -5.000040746e+00 -5.541643233e+00 -5.662724416e+00 3.08 -4.941634997e+00 -5.517774989e+00 -5.655106074e+00 3.10 -4.882871599e+00 -5.494563307e+00 -5.646100964e+00 3.12 -4.823410933e+00 -5.471822575e+00 -5.636220182e+00 3.14 -4.762890590e+00 -5.449074145e+00 -5.625288997e+00 3.16 -4.700976995e+00 -5.425643757e+00 -5.612575113e+00 3.18 -4.637422508e+00 -5.400881569e+00 -5.597277937e+00 3.20 -4.572125364e+00 -5.374202570e+00 -5.578530664e+00 3.22 -4.505192442e+00 -5.345023779e+00 -5.555603415e+00 3.24 -4.437039254e+00 -5.312795516e+00 -5.527959544e+00 3.26 -4.368225745e+00 -5.277038158e+00 -5.495276708e+00 3.28 -4.299219824e+00 -5.237376062e+00 -5.457441676e+00 3.30 -4.230383835e+00 -5.193577105e+00 -5.414518118e+00 3.32 -4.161940749e+00 -5.145554904e+00 -5.366833833e+00 3.34 -4.093917973e+00 -5.093355465e+00 -5.315116568e+00 3.36 -4.026208706e+00 -5.037141111e+00 -5.260628862e+00 3.38 -3.958663147e+00 -4.977172401e+00 -5.204989960e+00 3.40 -3.891111825e+00 -4.913788286e+00 -5.149417668e+00 3.42 -3.823381179e+00 -4.847389417e+00 -5.094523154e+00 3.44 -3.755308374e+00 -4.778424558e+00 -5.040449292e+00 3.46 -3.686754933e+00 -4.707375785e+00 -4.987031941e+00 3.48 -3.617618121e+00 -4.634740291e+00 -4.933870236e+00 3.50 -3.547838319e+00 -4.561039939e+00 -4.880467698e+00 3.52 -3.477398859e+00 -4.486841153e+00 -4.826422056e+00 3.54 -3.406307748e+00 -4.412700387e+00 -4.771418269e+00 3.56 -3.334575941e+00 -4.339101015e+00 -4.715181779e+00 3.58 -3.262210459e+00 -4.266436384e+00 -4.657489780e+00 3.60 -3.189214983e+00 -4.195000265e+00 -4.598183314e+00 3.62 -3.115635453e+00 -4.124979993e+00 -4.537174211e+00 3.64 -3.041587996e+00 -4.056451941e+00 -4.474447533e+00 3.66 -2.967245534e+00 -3.989378826e+00 -4.410060178e+00 3.68 -2.892822567e+00 -3.923608329e+00 -4.344136242e+00 3.70 -2.818561082e+00 -3.858889524e+00 -4.276859736e+00 3.72 -2.744717705e+00 -3.794960212e+00 -4.208465217e+00 3.74 -2.671552197e+00 -3.731595444e+00 -4.139226844e+00 3.76 -2.599317369e+00 -3.668610662e+00 -4.069446376e+00 3.78 -2.528250487e+00 -3.605860421e+00 -3.999440564e+00 3.80 -2.458566207e+00 -3.543232713e+00 -3.929528401e+00 3.82 -2.390451128e+00 -3.480639448e+00 -3.860018758e+00 3.84 -2.324060696e+00 -3.418026307e+00 -3.791200230e+00 3.86 -2.259517929e+00 -3.355392278e+00 -3.723332541e+00 3.88 -2.196913012e+00 -3.292790448e+00 -3.656637955e+00 3.90 -2.136304109e+00 -3.230321595e+00 -3.591293823e+00 3.92 -2.077719335e+00 -3.168120880e+00 -3.527426533e+00 3.94 -2.021159739e+00 -3.106336096e+00 -3.465106981e+00 3.96 -1.966602980e+00 -3.045095875e+00 -3.404347656e+00 3.98 -1.914006881e+00 -2.984466629e+00 -3.345101087e+00 4.00 -1.863313614e+00 -2.924428550e+00 -3.287257100e+00 4.02 -1.814454512e+00 -2.864921781e+00 -3.230643889e+00 4.04 -1.767354802e+00 -2.805884631e+00 -3.175060416e+00 4.06 -1.721937960e+00 -2.747271963e+00 -3.120307360e+00 4.08 -1.678129450e+00 -2.689053839e+00 -3.066189564e+00 4.10 -1.635860825e+00 -2.631212723e+00 -3.012516981e+00 4.12 -1.595073375e+00 -2.573741126e+00 -2.959106766e+00 4.14 -1.555718673e+00 -2.516639647e+00 -2.905786225e+00 4.16 -1.517756473e+00 -2.459915358e+00 -2.852396267e+00 4.18 -1.481149622e+00 -2.403580496e+00 -2.798794970e+00 4.20 -1.445855456e+00 -2.347651393e+00 -2.744860853e+00 4.22 -1.411813105e+00 -2.292147635e+00 -2.690495386e+00 4.24 -1.378930966e+00 -2.237091385e+00 -2.635624250e+00 4.26 -1.347099496e+00 -2.182506848e+00 -2.580197815e+00 4.28 -1.316205682e+00 -2.128419853e+00 -2.524205035e+00 4.30 -1.286135167e+00 -2.074857502e+00 -2.467690579e+00 4.32 -1.256773669e+00 -2.021847887e+00 -2.410749628e+00 4.34 -1.228008406e+00 -1.969419830e+00 -2.353515660e+00 4.36 -1.199729511e+00 -1.917602645e+00 -2.296143334e+00 4.38 -1.171831449e+00 -1.866425892e+00 -2.238785650e+00 4.40 -1.144214432e+00 -1.815919126e+00 -2.181565045e+00 4.42 -1.116785850e+00 -1.766111578e+00 -2.124561131e+00 4.44 -1.089461718e+00 -1.717031470e+00 -2.067841374e+00 4.46 -1.062168172e+00 -1.668705214e+00 -2.011470373e+00 4.48 -1.034843022e+00 -1.621156891e+00 -1.955508962e+00 4.50 -1.007437401e+00 -1.574407704e+00 -1.900013493e+00 4.52 -9.799175693e-01 -1.528475414e+00 -1.845035331e+00 4.54 -9.522669092e-01 -1.483373743e+00 -1.790620529e+00 4.56 -9.244882205e-01 -1.439111769e+00 -1.736809678e+00 4.58 -8.966063807e-01 -1.395693332e+00 -1.683637894e+00 4.60 -8.686683515e-01 -1.353116466e+00 -1.631134942e+00 4.62 -8.407327540e-01 -1.311372889e+00 -1.579325465e+00 4.64 -8.128638993e-01 -1.270447570e+00 -1.528229306e+00 4.66 -7.851302845e-01 -1.230318420e+00 -1.477861916e+00 4.68 -7.576030420e-01 -1.190956310e+00 -1.428234813e+00 4.70 -7.303542283e-01 -1.152326072e+00 -1.379356097e+00 4.72 -7.034549601e-01 -1.114387547e+00 -1.331230999e+00 4.74 -6.769734052e-01 -1.077096490e+00 -1.283862449e+00 4.76 -6.509726403e-01 -1.040405723e+00 -1.237251657e+00 4.78 -6.255083843e-01 -1.004266581e+00 -1.191398696e+00 4.80 -6.006266202e-01 -9.686307202e-01 -1.146303067e+00 4.82 -5.763611191e-01 -9.334523271e-01 -1.101964252e+00 4.84 -5.527308809e-01 -8.986908279e-01 -1.058382236e+00 4.86 -5.297375056e-01 -8.643141500e-01 -1.015557995e+00 4.88 -5.073625143e-01 -8.303007227e-01 -9.734939383e-01 4.90 -4.855646360e-01 -7.966374882e-01 -9.321943076e-01 4.92 -4.642788231e-01 -7.633208397e-01 -8.916655216e-01 4.94 -4.434304153e-01 -7.303594354e-01 -8.519164646e-01 4.96 -4.229489128e-01 -6.977773972e-01 -8.129587143e-01 4.98 -4.027691295e-01 -6.656179044e-01 -7.748067099e-01 5.00 -3.828317801e-01 -6.339472125e-01 -7.374778553e-01 5.02 -3.630846746e-01 -6.028591298e-01 -7.009925603e-01 5.04 -3.434845556e-01 -5.724784059e-01 -6.653742179e-01 5.06 -3.239996233e-01 -5.429387257e-01 -6.306491210e-01 5.08 -3.046127886e-01 -5.143495933e-01 -5.968463199e-01 5.10 -2.853257000e-01 -4.867946935e-01 -5.639974235e-01 5.12 -2.661635904e-01 -4.603349020e-01 -5.321363497e-01 5.14 -2.471809904e-01 -4.350108464e-01 -5.012990285e-01 5.16 -2.284683591e-01 -4.108450357e-01 -4.715230646e-01 5.18 -2.101596831e-01 -3.878435790e-01 -4.428473640e-01 5.20 -1.924403413e-01 -3.659975166e-01 -4.153117311e-01 5.22 -1.755246222e-01 -3.452848585e-01 -3.889564412e-01 5.24 -1.595902681e-01 -3.256782346e-01 -3.638217892e-01 5.26 -1.447671161e-01 -3.071501648e-01 -3.399476126e-01 5.28 -1.311435666e-01 -2.896738725e-01 -3.173727762e-01 5.30 -1.187726527e-01 -2.732236358e-01 -2.961345901e-01 5.32 -1.076776513e-01 -2.577748836e-01 -2.762681074e-01 5.34 -9.785731970e-02 -2.433040127e-01 -2.578052049e-01 5.36 -8.929089532e-02 -2.297878899e-01 -2.407732870e-01 5.38 -8.191885176e-02 -2.172029962e-01 -2.251933666e-01 5.40 -7.561813122e-02 -2.055241781e-01 -2.110772167e-01 5.42 -7.032893810e-02 -1.947230017e-01 -1.984233166e-01 5.44 -6.599150772e-02 -1.847657756e-01 -1.872108917e-01 5.46 -6.254293681e-02 -1.756114384e-01 -1.773918742e-01 5.48 -5.991946868e-02 -1.672096862e-01 -1.688815770e-01 5.50 -5.805846912e-02 -1.594999075e-01 -1.615501919e-01 5.52 -5.690011276e-02 -1.524116309e-01 -1.552188157e-01 5.54 -5.638879899e-02 -1.458671790e-01 -1.496644188e-01 5.56 -5.647431604e-02 -1.397870819e-01 -1.446369351e-01 5.58 -5.711277116e-02 -1.340986849e-01 -1.398890372e-01 5.60 -5.826730437e-02 -1.287486574e-01 -1.352179877e-01 5.62 -5.953225351e-02 -1.234676063e-01 -1.305144445e-01 5.64 -6.050049955e-02 -1.180074211e-01 -1.257406150e-01 5.66 -6.114451261e-02 -1.123759912e-01 -1.208719184e-01 5.68 -6.144465015e-02 -1.065884182e-01 -1.158929747e-01 5.70 -6.138902877e-02 -1.006684055e-01 -1.108003544e-01 5.72 -6.097327157e-02 -9.464988722e-02 -1.056056669e-01 5.74 -6.020014441e-02 -8.857891533e-02 -1.003390088e-01 5.76 -5.907909367e-02 -8.251582391e-02 -9.505279394e-02 5.78 -5.762569773e-02 -7.653768903e-02 -8.982598809e-02 5.80 -5.586104372e-02 -7.074110286e-02 -8.476877043e-02 5.82 -5.381104030e-02 -6.524304120e-02 -8.002428699e-02 5.84 -5.150567715e-02 -6.015949887e-02 -7.573700349e-02 5.86 -4.897824060e-02 -5.558358258e-02 -7.202018902e-02 5.88 -4.626449488e-02 -5.158548446e-02 -6.895616308e-02 5.90 -4.340183743e-02 -4.821446154e-02 -6.659949147e-02 5.92 -4.042843637e-02 -4.550060728e-02 -6.497980943e-02 5.94 -3.738235744e-02 -4.345642239e-02 -6.410428186e-02 5.96 -3.430068753e-02 -4.207819106e-02 -6.395970986e-02 5.98 -3.121866069e-02 -4.134716840e-02 -6.451429279e-02 6.00 -2.816879266e-02 -4.123058413e-02 -6.571905453e-02