# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2026--Wu-Y-Yan-G-Yu-P-et-al--Hf-Nb-Zr-Ti-Ta # implementation = 2026--Wu-Y--Hf-Nb-Zr-Ti-Ta--LAMMPS--ipr1 # composition = Nb2TiZr # 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 2026-06-16 r L2_1--AlCu2Mn--h L2_1--AlCu2Mn--h 0.50 nan nan 0.52 nan nan 0.54 nan nan 0.56 nan nan 0.58 nan nan 0.60 nan nan 0.62 nan nan 0.64 nan nan 0.66 nan nan 0.68 nan nan 0.70 nan nan 0.72 nan nan 0.74 nan nan 0.76 nan nan 0.78 nan nan 0.80 nan nan 0.82 nan nan 0.84 nan nan 0.86 nan nan 0.88 nan nan 0.90 nan nan 0.92 nan nan 0.94 nan nan 0.96 nan nan 0.98 nan nan 1.00 nan nan 1.02 nan nan 1.04 nan nan 1.06 nan nan 1.08 nan nan 1.10 nan nan 1.12 nan nan 1.14 nan nan 1.16 nan nan 1.18 nan nan 1.20 nan nan 1.22 nan nan 1.24 nan nan 1.26 3.133443646e+02 3.133443646e+02 1.28 2.919935524e+02 2.919935524e+02 1.30 2.721376046e+02 2.721376046e+02 1.32 2.536488694e+02 2.536488694e+02 1.34 2.364164186e+02 2.364164186e+02 1.36 2.203443453e+02 2.203443453e+02 1.38 2.053483069e+02 2.053483069e+02 1.40 1.913517080e+02 1.913517080e+02 1.42 1.782822415e+02 1.782822415e+02 1.44 1.660714390e+02 1.660714390e+02 1.46 1.546576352e+02 1.546576352e+02 1.48 1.439871749e+02 1.439871749e+02 1.50 1.340127641e+02 1.340127641e+02 1.52 1.246888937e+02 1.246888937e+02 1.54 1.159689096e+02 1.159689096e+02 1.56 1.078061992e+02 1.078061992e+02 1.58 1.001578678e+02 1.001578678e+02 1.60 9.298652953e+01 9.298652953e+01 1.62 8.626077640e+01 8.626077640e+01 1.64 7.995392916e+01 7.995392916e+01 1.66 7.404235978e+01 7.404235978e+01 1.68 6.850339748e+01 6.850339748e+01 1.70 6.331802942e+01 6.331802942e+01 1.72 5.847756014e+01 5.847756014e+01 1.74 5.396097962e+01 5.396097962e+01 1.76 4.974673490e+01 4.974673490e+01 1.78 4.581400756e+01 4.581400756e+01 1.80 4.214363643e+01 4.214363643e+01 1.82 3.871817755e+01 3.871817755e+01 1.84 3.552184993e+01 3.552184993e+01 1.86 3.254027714e+01 3.254027714e+01 1.88 2.976017288e+01 2.976017288e+01 1.90 2.716916643e+01 2.716916643e+01 1.92 2.475555134e+01 2.475555134e+01 1.94 2.250833637e+01 2.250833637e+01 1.96 2.041705909e+01 2.041705909e+01 1.98 1.847148027e+01 1.847148027e+01 2.00 1.666129120e+01 1.666129120e+01 2.02 1.497614848e+01 1.497614848e+01 2.04 1.340590427e+01 1.340590427e+01 2.06 1.194115114e+01 1.194115114e+01 2.08 1.057349139e+01 1.057349139e+01 2.10 9.295696130e+00 9.295696130e+00 2.12 8.101602534e+00 8.101602534e+00 2.14 6.985782817e+00 6.985782817e+00 2.16 5.943389060e+00 5.943389060e+00 2.18 4.969957353e+00 4.969957353e+00 2.20 4.061451163e+00 4.061451163e+00 2.22 3.214298071e+00 3.214298071e+00 2.24 2.425367758e+00 2.425367758e+00 2.26 1.691770161e+00 1.691770161e+00 2.28 1.010770874e+00 1.010770874e+00 2.30 3.795811523e-01 3.795811523e-01 2.32 -2.048063583e-01 -2.048063583e-01 2.34 -7.456498280e-01 -7.456498280e-01 2.36 -1.246356991e+00 -1.246356991e+00 2.38 -1.710322499e+00 -1.710322499e+00 2.40 -2.140651269e+00 -2.140651269e+00 2.42 -2.540073702e+00 -2.540073702e+00 2.44 -2.910906772e+00 -2.910906772e+00 2.46 -3.255094187e+00 -3.255094187e+00 2.48 -3.574271080e+00 -3.574271080e+00 2.50 -3.869846707e+00 -3.869846707e+00 2.52 -4.143102416e+00 -4.143102416e+00 2.54 -4.395280702e+00 -4.395280702e+00 2.56 -4.627630807e+00 -4.627630807e+00 2.58 -4.841387856e+00 -4.841387856e+00 2.60 -5.037799258e+00 -5.037799258e+00 2.62 -5.217992423e+00 -5.217992423e+00 2.64 -5.383026138e+00 -5.383026138e+00 2.66 -5.533851950e+00 -5.533851950e+00 2.68 -5.671298062e+00 -5.671298062e+00 2.70 -5.796068436e+00 -5.796068436e+00 2.72 -5.908765692e+00 -5.908765692e+00 2.74 -6.009909426e+00 -6.009909426e+00 2.76 -6.100094185e+00 -6.100094185e+00 2.78 -6.179888744e+00 -6.179888744e+00 2.80 -6.249695009e+00 -6.249695009e+00 2.82 -6.309330652e+00 -6.309330652e+00 2.84 -6.358900029e+00 -6.358900029e+00 2.86 -6.398820751e+00 -6.398820751e+00 2.88 -6.429800028e+00 -6.429800028e+00 2.90 -6.452508578e+00 -6.452508578e+00 2.92 -6.467585042e+00 -6.467585042e+00 2.94 -6.475582430e+00 -6.475582430e+00 2.96 -6.476961388e+00 -6.476961388e+00 2.98 -6.472078476e+00 -6.472078476e+00 3.00 -6.461045055e+00 -6.461045055e+00 3.02 -6.443866623e+00 -6.443866623e+00 3.04 -6.420646085e+00 -6.420646085e+00 3.06 -6.391445846e+00 -6.391445846e+00 3.08 -6.356274604e+00 -6.356274604e+00 3.10 -6.315056928e+00 -6.315056928e+00 3.12 -6.267770617e+00 -6.267770617e+00 3.14 -6.214437832e+00 -6.214437832e+00 3.16 -6.155156291e+00 -6.155156291e+00 3.18 -6.090121087e+00 -6.090121087e+00 3.20 -6.019625093e+00 -6.019625093e+00 3.22 -5.944035134e+00 -5.944035134e+00 3.24 -5.863756332e+00 -5.863756332e+00 3.26 -5.779201082e+00 -5.779201082e+00 3.28 -5.690774843e+00 -5.690774843e+00 3.30 -5.598877886e+00 -5.598877886e+00 3.32 -5.503915938e+00 -5.503915938e+00 3.34 -5.406304569e+00 -5.406304569e+00 3.36 -5.306510071e+00 -5.306510071e+00 3.38 -5.205007829e+00 -5.205007829e+00 3.40 -5.102320331e+00 -5.102320331e+00 3.42 -4.999000745e+00 -4.999000745e+00 3.44 -4.895608835e+00 -4.895608835e+00 3.46 -4.792670743e+00 -4.792670743e+00 3.48 -4.690627920e+00 -4.690627920e+00 3.50 -4.589791707e+00 -4.589791707e+00 3.52 -4.490316201e+00 -4.490316201e+00 3.54 -4.392197774e+00 -4.392197774e+00 3.56 -4.295297979e+00 -4.295297979e+00 3.58 -4.199381089e+00 -4.199381089e+00 3.60 -4.104156538e+00 -4.104156538e+00 3.62 -4.009318861e+00 -4.009318861e+00 3.64 -3.914582445e+00 -3.914582445e+00 3.66 -3.819709768e+00 -3.819709768e+00 3.68 -3.724533584e+00 -3.724533584e+00 3.70 -3.628972085e+00 -3.628972085e+00 3.72 -3.533036311e+00 -3.533036311e+00 3.74 -3.436827698e+00 -3.436827698e+00 3.76 -3.340526841e+00 -3.340526841e+00 3.78 -3.244375656e+00 -3.244375656e+00 3.80 -3.148657145e+00 -3.148657145e+00 3.82 -3.053676398e+00 -3.053676398e+00 3.84 -2.959745729e+00 -2.959745729e+00 3.86 -2.867160612e+00 -2.867160612e+00 3.88 -2.776247747e+00 -2.776247747e+00 3.90 -2.687271143e+00 -2.687271143e+00 3.92 -2.600490674e+00 -2.600490674e+00 3.94 -2.516143039e+00 -2.516143039e+00 3.96 -2.434441058e+00 -2.434441058e+00 3.98 -2.355573539e+00 -2.355573539e+00 4.00 -2.279704882e+00 -2.279704882e+00 4.02 -2.206978283e+00 -2.206978283e+00 4.04 -2.137435820e+00 -2.137435820e+00 4.06 -2.071265761e+00 -2.071265761e+00 4.08 -2.008421575e+00 -2.008421575e+00 4.10 -1.948870167e+00 -1.948870167e+00 4.12 -1.892525081e+00 -1.892525081e+00 4.14 -1.839251594e+00 -1.839251594e+00 4.16 -1.788876484e+00 -1.788876484e+00 4.18 -1.741200419e+00 -1.741200419e+00 4.20 -1.696010666e+00 -1.696010666e+00 4.22 -1.653092307e+00 -1.653092307e+00 4.24 -1.612237027e+00 -1.612237027e+00 4.26 -1.573249205e+00 -1.573249205e+00 4.28 -1.535949408e+00 -1.535949408e+00 4.30 -1.500175952e+00 -1.500175952e+00 4.32 -1.465785112e+00 -1.465785112e+00 4.34 -1.432650303e+00 -1.432650303e+00 4.36 -1.400660730e+00 -1.400660730e+00 4.38 -1.369719837e+00 -1.369719837e+00 4.40 -1.339743688e+00 -1.339743688e+00 4.42 -1.310659326e+00 -1.310659326e+00 4.44 -1.282403318e+00 -1.282403318e+00 4.46 -1.254920449e+00 -1.254920449e+00 4.48 -1.228162525e+00 -1.228162525e+00 4.50 -1.202087347e+00 -1.202087347e+00 4.52 -1.176657844e+00 -1.176657844e+00 4.54 -1.151841306e+00 -1.151841306e+00 4.56 -1.127608723e+00 -1.127608723e+00 4.58 -1.103934230e+00 -1.103934230e+00 4.60 -1.080794638e+00 -1.080794638e+00 4.62 -1.058169013e+00 -1.058169013e+00 4.64 -1.036038318e+00 -1.036038318e+00 4.66 -1.014385122e+00 -1.014385122e+00 4.68 -9.931933259e-01 -9.931933259e-01 4.70 -9.724479452e-01 -9.724479452e-01 4.72 -9.521037280e-01 -9.521037280e-01 4.74 -9.322154036e-01 -9.322154036e-01 4.76 -9.127320066e-01 -9.127320066e-01 4.78 -8.936413104e-01 -8.936413104e-01 4.80 -8.749312949e-01 -8.749312949e-01 4.82 -8.565900213e-01 -8.565900213e-01 4.84 -8.386055081e-01 -8.386055081e-01 4.86 -8.209656199e-01 -8.209656199e-01 4.88 -8.036579491e-01 -8.036579491e-01 4.90 -7.866697152e-01 -7.866697152e-01 4.92 -7.699876669e-01 -7.699876669e-01 4.94 -7.535980110e-01 -7.535980110e-01 4.96 -7.374863593e-01 -7.374863593e-01 4.98 -7.216377263e-01 -7.216377263e-01 5.00 -7.060365737e-01 -7.060365737e-01 5.02 -6.906669465e-01 -6.906669465e-01 5.04 -6.755127085e-01 -6.755127085e-01 5.06 -6.605579071e-01 -6.605579071e-01 5.08 -6.457872976e-01 -6.457872976e-01 5.10 -6.311870143e-01 -6.311870143e-01 5.12 -6.167454278e-01 -6.167454278e-01 5.14 -6.024540770e-01 -6.024540770e-01 5.16 -5.883086975e-01 -5.883086975e-01 5.18 -5.743100953e-01 -5.743100953e-01 5.20 -5.604648499e-01 -5.604648499e-01 5.22 -5.467855013e-01 -5.467855013e-01 5.24 -5.332892324e-01 -5.332892324e-01 5.26 -5.199978948e-01 -5.199978948e-01 5.28 -5.069376994e-01 -5.069376994e-01 5.30 -4.941354312e-01 -4.941354312e-01 5.32 -4.816158707e-01 -4.816158707e-01 5.34 -4.693994263e-01 -4.693994263e-01 5.36 -4.575001670e-01 -4.575001670e-01 5.38 -4.459247046e-01 -4.459247046e-01 5.40 -4.346718123e-01 -4.346718123e-01 5.42 -4.237329286e-01 -4.237329286e-01 5.44 -4.130932103e-01 -4.130932103e-01 5.46 -4.027330428e-01 -4.027330428e-01 5.48 -3.926297061e-01 -3.926297061e-01 5.50 -3.827590582e-01 -3.827590582e-01 5.52 -3.730971165e-01 -3.730971165e-01 5.54 -3.636214201e-01 -3.636214201e-01 5.56 -3.543122078e-01 -3.543122078e-01 5.58 -3.451532782e-01 -3.451532782e-01 5.60 -3.361326247e-01 -3.361326247e-01 5.62 -3.272426883e-01 -3.272426883e-01 5.64 -3.184803203e-01 -3.184803203e-01 5.66 -3.098460054e-01 -3.098460054e-01 5.68 -3.013426993e-01 -3.013426993e-01 5.70 -2.929767290e-01 -2.929767290e-01 5.72 -2.847552616e-01 -2.847552616e-01 5.74 -2.766847522e-01 -2.766847522e-01 5.76 -2.687695997e-01 -2.687695997e-01 5.78 -2.610111021e-01 -2.610111021e-01 5.80 -2.534067515e-01 -2.534067515e-01 5.82 -2.459500440e-01 -2.459500440e-01 5.84 -2.386307064e-01 -2.386307064e-01 5.86 -2.314353931e-01 -2.314353931e-01 5.88 -2.243486799e-01 -2.243486799e-01 5.90 -2.173543202e-01 -2.173543202e-01 5.92 -2.104366235e-01 -2.104366235e-01 5.94 -2.035818520e-01 -2.035818520e-01 5.96 -1.967795142e-01 -1.967795142e-01 5.98 -1.900234799e-01 -1.900234799e-01 6.00 -1.833128226e-01 -1.833128226e-01