# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Ta-Cu # implementation = EAM_Dynamo_ZhouJohnsonWadley_2004_CuTa__MO_547744193826_000 # composition = CuTa3 # 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 2024-11-27 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 nan nan nan 1.26 nan nan nan 1.28 nan nan nan 1.30 nan nan nan 1.32 nan nan nan 1.34 nan nan nan 1.36 nan nan nan 1.38 nan nan nan 1.40 nan nan nan 1.42 nan nan nan 1.44 nan nan nan 1.46 nan nan nan 1.48 nan nan nan 1.50 nan nan nan 1.52 nan nan nan 1.54 nan nan nan 1.56 nan nan nan 1.58 nan nan nan 1.60 nan nan nan 1.62 nan nan nan 1.64 nan nan nan 1.66 nan nan nan 1.68 nan nan nan 1.70 nan nan nan 1.72 nan nan nan 1.74 nan nan nan 1.76 nan nan nan 1.78 nan nan nan 1.80 nan nan nan 1.82 nan nan nan 1.84 nan nan nan 1.86 nan nan nan 1.88 nan nan nan 1.90 nan nan nan 1.92 nan nan nan 1.94 3.741367632e+00 nan nan 1.96 2.649362378e+00 nan nan 1.98 1.660481524e+00 nan nan 2.00 7.660059265e-01 nan nan 2.02 -4.241036957e-02 nan nan 2.04 -7.727740158e-01 nan nan 2.06 -1.432779238e+00 nan nan 2.08 -2.029752291e+00 nan nan 2.10 -2.570524915e+00 4.460610277e+00 nan 2.12 -3.061273520e+00 3.378398639e+00 nan 2.14 -3.507416010e+00 2.379676150e+00 nan 2.16 -3.913553505e+00 1.459498901e+00 nan 2.18 -4.283492033e+00 6.133210961e-01 3.272397048e+00 2.20 -4.620343446e+00 -1.631294138e-01 2.335500196e+00 2.22 -4.926641365e+00 -8.739306225e-01 1.472287558e+00 2.24 -5.204477270e+00 -1.523021972e+00 6.757175353e-01 2.26 -5.455627076e+00 -2.114268409e+00 -6.056650060e-02 2.28 -5.681653645e+00 -2.651529269e+00 -7.420818964e-01 2.30 -5.883970030e+00 -3.138678265e+00 -1.373387470e+00 2.32 -6.063908788e+00 -3.579623716e+00 -1.958155807e+00 2.34 -6.222753362e+00 -3.978285020e+00 -2.499305242e+00 2.36 -6.361754684e+00 -4.338509386e+00 -2.999155729e+00 2.38 -6.482148910e+00 -4.663981814e+00 -3.459644604e+00 2.40 -6.585156035e+00 -4.958120951e+00 -3.882480443e+00 2.42 -6.671965089e+00 -5.223992780e+00 -4.269266354e+00 2.44 -6.743496213e+00 -5.464268557e+00 -4.621562585e+00 2.46 -6.801066269e+00 -5.681233697e+00 -4.940959227e+00 2.48 -6.846056644e+00 -5.876801727e+00 -5.229043038e+00 2.50 -6.879751159e+00 -6.052587480e+00 -5.487440486e+00 2.52 -6.903316842e+00 -6.209964889e+00 -5.717790723e+00 2.54 -6.917796428e+00 -6.350124258e+00 -5.921739577e+00 2.56 -6.924100731e+00 -6.474126619e+00 -6.100933338e+00 2.58 -6.923004368e+00 -6.582943875e+00 -6.257013930e+00 2.60 -6.914944102e+00 -6.677480832e+00 -6.391606936e+00 2.62 -6.899796942e+00 -6.758559641e+00 -6.506318063e+00 2.64 -6.877394465e+00 -6.826858977e+00 -6.602731106e+00 2.66 -6.847605837e+00 -6.883273804e+00 -6.682406620e+00 2.68 -6.810329426e+00 -6.928656455e+00 -6.746875309e+00 2.70 -6.765495795e+00 -6.963917855e+00 -6.797636402e+00 2.72 -6.713072458e+00 -6.989899230e+00 -6.835998635e+00 2.74 -6.653064314e+00 -7.007364612e+00 -6.863206453e+00 2.76 -6.585512859e+00 -7.016997289e+00 -6.880842700e+00 2.78 -6.510490815e+00 -7.019395553e+00 -6.890336504e+00 2.80 -6.428109356e+00 -7.015035288e+00 -6.892928026e+00 2.82 -6.338668584e+00 -7.004058818e+00 -6.889672739e+00 2.84 -6.242163973e+00 -6.986495490e+00 -6.881447037e+00 2.86 -6.138504235e+00 -6.962312382e+00 -6.868967457e+00 2.88 -6.027620409e+00 -6.931442208e+00 -6.852784303e+00 2.90 -5.909456064e+00 -6.893880206e+00 -6.832972736e+00 2.92 -5.783977673e+00 -6.849683950e+00 -6.809385424e+00 2.94 -5.651191867e+00 -6.798970029e+00 -6.781953916e+00 2.96 -5.511165626e+00 -6.741905976e+00 -6.750674750e+00 2.98 -5.364062963e+00 -6.678695646e+00 -6.715592479e+00 3.00 -5.210202624e+00 -6.609573770e+00 -6.676794921e+00 3.02 -5.050054274e+00 -6.534787788e+00 -6.634395681e+00 3.04 -4.884266382e+00 -6.454586758e+00 -6.588525839e+00 3.06 -4.713679907e+00 -6.369264921e+00 -6.539324948e+00 3.08 -4.539319713e+00 -6.279227686e+00 -6.486932640e+00 3.10 -4.362372124e+00 -6.184518338e+00 -6.431479765e+00 3.12 -4.184150420e+00 -6.085150458e+00 -6.373081833e+00 3.14 -4.006018887e+00 -5.981150920e+00 -6.311869958e+00 3.16 -3.829325746e+00 -5.872568299e+00 -6.248058955e+00 3.18 -3.655336275e+00 -5.759489254e+00 -6.181556025e+00 3.20 -3.485152626e+00 -5.642035837e+00 -6.112209096e+00 3.22 -3.319671697e+00 -5.520398146e+00 -6.039863269e+00 3.24 -3.159554461e+00 -5.394860370e+00 -5.964350689e+00 3.26 -3.005220344e+00 -5.265792011e+00 -5.885496355e+00 3.28 -2.856870962e+00 -5.133636812e+00 -5.803129964e+00 3.30 -2.714523655e+00 -4.998897109e+00 -5.717083600e+00 3.32 -2.578054008e+00 -4.862121731e+00 -5.627203295e+00 3.34 -2.447256924e+00 -4.723892268e+00 -5.533374583e+00 3.36 -2.321881976e+00 -4.584778923e+00 -5.435509936e+00 3.38 -2.201677654e+00 -4.445327180e+00 -5.333556011e+00 3.40 -2.086414989e+00 -4.306020816e+00 -5.227476728e+00 3.42 -1.975903284e+00 -4.167259727e+00 -5.117260826e+00 3.44 -1.869991510e+00 -4.029350482e+00 -5.002918124e+00 3.46 -1.768560795e+00 -3.892493676e+00 -4.884470794e+00 3.48 -1.671513787e+00 -3.756785430e+00 -4.761948363e+00 3.50 -1.578754692e+00 -3.622229193e+00 -4.635383431e+00 3.52 -1.490179147e+00 -3.488748019e+00 -4.504812348e+00 3.54 -1.405656354e+00 -3.356199192e+00 -4.370269245e+00 3.56 -1.325031089e+00 -3.224408926e+00 -4.231801503e+00 3.58 -1.248114142e+00 -3.093177356e+00 -4.089462799e+00 3.60 -1.174689590e+00 -2.962309129e+00 -3.943329152e+00 3.62 -1.104524293e+00 -2.831636347e+00 -3.793514812e+00 3.64 -1.037378340e+00 -2.701035252e+00 -3.640188081e+00 3.66 -9.730112143e-01 -2.570446287e+00 -3.483582621e+00 3.68 -9.112020747e-01 -2.439889020e+00 -3.324023580e+00 3.70 -8.517525881e-01 -2.309480508e+00 -3.161940189e+00 3.72 -7.944982169e-01 -2.179433193e+00 -2.997871052e+00 3.74 -7.393136333e-01 -2.050072408e+00 -2.832487959e+00 3.76 -6.861094214e-01 -1.921816371e+00 -2.666568165e+00 3.78 -6.348406933e-01 -1.795185468e+00 -2.501013012e+00 3.80 -5.854975153e-01 -1.670768989e+00 -2.336805515e+00 3.82 -5.381004130e-01 -1.549209690e+00 -2.174991576e+00 3.84 -4.926966423e-01 -1.431176274e+00 -2.016644009e+00 3.86 -4.493503105e-01 -1.317327505e+00 -1.862817642e+00 3.88 -4.081352448e-01 -1.208279571e+00 -1.714504039e+00 3.90 -3.691268889e-01 -1.104578704e+00 -1.572595421e+00 3.92 -3.323961080e-01 -1.006675521e+00 -1.437849602e+00 3.94 -2.980014679e-01 -9.149017585e-01 -1.310855005e+00 3.96 -2.659877782e-01 -8.294743368e-01 -1.192037942e+00 3.98 -2.363746521e-01 -7.504726620e-01 -1.081628056e+00 4.00 -2.091597357e-01 -6.778649981e-01 -9.796900064e-01 4.02 -1.843140655e-01 -6.115096023e-01 -8.861273911e-01 4.04 -1.617822148e-01 -5.511754204e-01 -8.007071394e-01 4.06 -1.414813388e-01 -4.965550693e-01 -7.230786469e-01 4.08 -1.233083679e-01 -4.472924913e-01 -6.528100252e-01 4.10 -1.071394665e-01 -4.029939857e-01 -5.894051464e-01 4.12 -9.283559540e-02 -3.632490382e-01 -5.323341531e-01 4.14 -8.024818450e-02 -3.276423802e-01 -4.810486578e-01 4.16 -6.922446424e-02 -2.957651293e-01 -4.350022678e-01 4.18 -5.961164452e-02 -2.672254502e-01 -3.936632480e-01 4.20 -5.126044685e-02 -2.416512607e-01 -3.565229344e-01 4.22 -4.402925696e-02 -2.187000261e-01 -3.231095810e-01 4.24 -3.778514849e-02 -1.980573656e-01 -2.929860384e-01 4.26 -3.240599016e-02 -1.794399617e-01 -2.657560861e-01 4.28 -2.778006509e-02 -1.625947246e-01 -2.410649045e-01 4.30 -2.380765138e-02 -1.473006690e-01 -2.186021492e-01 4.32 -2.040087731e-02 -1.333654843e-01 -1.980962746e-01 4.34 -1.748233649e-02 -1.206268789e-01 -1.793177487e-01 4.36 -1.498380882e-02 -1.089481132e-01 -1.620724440e-01 4.38 -1.284578197e-02 -9.821636013e-02 -1.462005710e-01 4.40 -1.101676193e-02 -8.834082634e-02 -1.315745094e-01 4.42 -9.452175635e-03 -7.924819583e-02 -1.180913037e-01 4.44 -8.113755864e-03 -7.088090480e-02 -1.056706659e-01 4.46 -6.968558804e-03 -6.319309903e-02 -9.424770372e-02 4.48 -5.988428671e-03 -5.614812932e-02 -8.377062123e-02 4.50 -5.149244903e-03 -4.971433364e-02 -7.419471152e-02 4.52 -4.430434980e-03 -4.386316478e-02 -6.547988223e-02 4.54 -3.814426577e-03 -3.856654837e-02 -5.758617089e-02 4.56 -3.286229007e-03 -3.379601428e-02 -5.047296567e-02 4.58 -2.833067867e-03 -2.952151178e-02 -4.409659985e-02 4.60 -2.444034897e-03 -2.571130066e-02 -3.841072832e-02 4.62 -2.109860679e-03 -2.233196836e-02 -3.336669464e-02 4.64 -1.822614712e-03 -1.934893397e-02 -2.891331861e-02 4.66 -1.575547744e-03 -1.672792603e-02 -2.499906762e-02 4.68 -1.362891796e-03 -1.443478167e-02 -2.157355690e-02 4.70 -1.179734828e-03 -1.243617751e-02 -1.858744061e-02 4.72 -1.021871555e-03 -1.070016830e-02 -1.599328330e-02 4.74 -8.857208573e-04 -9.196779110e-03 -1.374648899e-02 4.76 -7.682157216e-04 -7.898131861e-03 -1.180552377e-02 4.78 -6.667311777e-04 -6.778744939e-03 -1.013238770e-02 4.80 -5.790245187e-04 -5.815626299e-03 -8.692769297e-03 4.82 -5.031721814e-04 -4.988147249e-03 -7.455868145e-03 4.84 -4.375298492e-04 -4.278062253e-03 -6.394432091e-03 4.86 -3.806836554e-04 -3.669245110e-03 -5.484368013e-03 4.88 -3.314235222e-04 -3.147605893e-03 -4.704620527e-03 4.90 -2.887070755e-04 -2.700844806e-03 -4.036806961e-03 4.92 -2.516426227e-04 -2.318327464e-03 -3.465031758e-03 4.94 -2.194615788e-04 -1.990847184e-03 -2.975532560e-03 4.96 -1.915019315e-04 -1.710466311e-03 -2.556443081e-03 4.98 -1.671951761e-04 -1.470377080e-03 -2.197585993e-03 5.00 -1.460505430e-04 -1.264733342e-03 -1.890221230e-03 5.02 -1.276450525e-04 -1.088526507e-03 -1.626860787e-03 5.04 -1.116150263e-04 -9.374860743e-04 -1.401120227e-03 5.06 -9.764490062e-05 -8.079504060e-04 -1.207525288e-03 5.08 -8.546264276e-05 -6.967967630e-04 -1.041407406e-03 5.10 -7.483343288e-05 -6.013593913e-04 -8.987813211e-04 5.12 -6.555364887e-05 -5.193661845e-04 -7.762503122e-04 5.14 -5.744747069e-05 -4.488754419e-04 -6.709116234e-04 5.16 -5.036263904e-05 -3.882334970e-04 -5.802932107e-04 5.18 -4.416669685e-05 -3.360272537e-04 -5.022826483e-04 5.20 -3.874532459e-05 -2.910511349e-04 -4.350778114e-04 5.22 -3.399902332e-05 -2.522753609e-04 -3.771393763e-04 5.24 -2.971746408e-05 -2.188204454e-04 -3.271527267e-04 5.26 -2.608880800e-05 -1.899343529e-04 -2.839937765e-04 5.28 -2.290696189e-05 -1.649756769e-04 -2.467038433e-04 5.30 -2.011531760e-05 -1.433928732e-04 -2.144585549e-04 5.32 -1.766487061e-05 -1.247162412e-04 -1.865559117e-04 5.34 -1.551286640e-05 -1.085421052e-04 -1.623925978e-04 5.36 -1.362191474e-05 -9.452488112e-05 -1.414521385e-04 5.38 -1.195959781e-05 -8.236794985e-05 -1.232912476e-04 5.40 -1.049749013e-05 -7.181625167e-05 -1.075287572e-04 5.42 -9.210852560e-06 -6.265128424e-05 -9.383814432e-05 5.44 -8.078160571e-06 -5.468543994e-05 -8.193906327e-05 5.46 -7.080466634e-06 -4.775654538e-05 -7.158918057e-05 5.48 -6.201274393e-06 -4.172532634e-05 -6.258038328e-05 5.50 -5.426159363e-06 -3.647171766e-05 -5.473327134e-05 5.52 -4.742473028e-06 -3.189238926e-05 -4.789345279e-05 5.54 -4.139163018e-06 -2.777277231e-05 -4.192740125e-05 5.56 -3.606561478e-06 -2.430127725e-05 -3.672015370e-05 5.58 -3.136146523e-06 -2.126909004e-05 -3.217186906e-05 5.60 -2.720489680e-06 -1.861898728e-05 -2.819671198e-05 5.62 -2.353049930e-06 -1.630123023e-05 -2.472007413e-05 5.64 -2.028098228e-06 -1.427284964e-05 -2.167750148e-05 5.66 -1.740603257e-06 -1.249655783e-05 -1.901306241e-05 5.68 -1.486139242e-06 -1.094009772e-05 -1.667837117e-05 5.70 -1.260809194e-06 -9.575341933e-06 -1.463123668e-05 5.72 -1.061204146e-06 -8.377958100e-06 -1.283516030e-05 5.74 -7.847980264e-07 -7.326768909e-06 -1.125837602e-05 5.76 -6.399971976e-07 -6.403430952e-06 -9.873368699e-06 5.78 -5.114339035e-07 -5.591860724e-06 -8.656013058e-06 5.80 -3.972502978e-07 -4.878127352e-06 -7.585412768e-06 5.82 -2.957993605e-07 -4.250063603e-06 -6.643316962e-06 5.84 -2.056244252e-07 -3.697065308e-06 -5.813819378e-06 5.86 -1.254499310e-07 -3.209917544e-06 -5.083097622e-06 5.88 -5.413844122e-08 -2.780522414e-06 -4.439004840e-06 5.90 9.311969760e-09 -2.401822175e-06 -3.870954414e-06 5.92 6.578880588e-08 -2.067656458e-06 -3.369705784e-06 5.94 1.160756348e-07 -1.772628957e-06 -2.927164492e-06 5.96 1.608648974e-07 -1.512022888e-06 -2.536255355e-06 5.98 2.007723479e-07 -1.281699007e-06 -2.190769508e-06 6.00 2.363434671e-07 -1.078031174e-06 -1.885267738e-06