# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2026--Starikov-S-Grigorev-P-Lee-S-H-et-al--W-Mo-Nb-Zr-Ti-Ta # implementation = 2026--Starikov-S--W-Mo-Nb-Zr-Ti-Ta--LAMMPS--ipr1 # composition = Ti2WZr # 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 2025-12-17 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 4.500988479e+02 4.500988479e+02 1.08 4.112167352e+02 4.112167352e+02 1.10 3.757421001e+02 3.757421001e+02 1.12 3.435310176e+02 3.435310176e+02 1.14 3.134029404e+02 3.134029404e+02 1.16 2.857206353e+02 2.857206353e+02 1.18 2.608711958e+02 2.608711958e+02 1.20 2.386462588e+02 2.386462588e+02 1.22 2.184908180e+02 2.184908180e+02 1.24 2.001400772e+02 2.001400772e+02 1.26 1.832745968e+02 1.832745968e+02 1.28 1.678359798e+02 1.678359798e+02 1.30 1.538000688e+02 1.538000688e+02 1.32 1.407602017e+02 1.407602017e+02 1.34 1.287332597e+02 1.287332597e+02 1.36 1.177115364e+02 1.177115364e+02 1.38 1.076751043e+02 1.076751043e+02 1.40 9.844028320e+01 9.844028320e+01 1.42 9.001675720e+01 9.001675720e+01 1.44 8.237527440e+01 8.237527440e+01 1.46 7.545063654e+01 7.545063654e+01 1.48 6.913592038e+01 6.913592038e+01 1.50 6.325946808e+01 6.325946808e+01 1.52 5.781096704e+01 5.781096704e+01 1.54 5.286052197e+01 5.286052197e+01 1.56 4.829037719e+01 4.829037719e+01 1.58 4.404240501e+01 4.404240501e+01 1.60 4.016441805e+01 4.016441805e+01 1.62 3.668895380e+01 3.668895380e+01 1.64 3.352545981e+01 3.352545981e+01 1.66 3.057085421e+01 3.057085421e+01 1.68 2.781046468e+01 2.781046468e+01 1.70 2.529472390e+01 2.529472390e+01 1.72 2.304550660e+01 2.304550660e+01 1.74 2.102618296e+01 2.102618296e+01 1.76 1.922501954e+01 1.922501954e+01 1.78 1.759894528e+01 1.759894528e+01 1.80 1.610658291e+01 1.610658291e+01 1.82 1.470788061e+01 1.470788061e+01 1.84 1.341901188e+01 1.341901188e+01 1.86 1.220498421e+01 1.220498421e+01 1.88 1.110247933e+01 1.110247933e+01 1.90 1.012005987e+01 1.012005987e+01 1.92 9.267766319e+00 9.267766319e+00 1.94 8.536616241e+00 8.536616241e+00 1.96 7.881024253e+00 7.881024253e+00 1.98 7.246666341e+00 7.246666341e+00 2.00 6.604791169e+00 6.604791169e+00 2.02 5.983745260e+00 5.983745260e+00 2.04 5.409445442e+00 5.409445442e+00 2.06 4.858158548e+00 4.858158548e+00 2.08 4.268699340e+00 4.268699340e+00 2.10 3.689895985e+00 3.689895985e+00 2.12 3.042388436e+00 3.042388436e+00 2.14 2.437695315e+00 2.437695315e+00 2.16 1.902468786e+00 1.902468786e+00 2.18 1.397927552e+00 1.397927552e+00 2.20 8.841514524e-01 8.841514524e-01 2.22 3.795243074e-01 3.795243074e-01 2.24 -5.674785383e-02 -5.674785383e-02 2.26 -4.508886700e-01 -4.508886700e-01 2.28 -9.938562054e-01 -9.938562054e-01 2.30 -1.416997204e+00 -1.416997204e+00 2.32 -1.799694196e+00 -1.799694196e+00 2.34 -2.174930661e+00 -2.174930661e+00 2.36 -2.557543264e+00 -2.557543264e+00 2.38 -2.940613653e+00 -2.940613653e+00 2.40 -3.304478696e+00 -3.304478696e+00 2.42 -3.629188519e+00 -3.629188519e+00 2.44 -3.912771000e+00 -3.912771000e+00 2.46 -4.175834714e+00 -4.175834714e+00 2.48 -4.431370990e+00 -4.431370990e+00 2.50 -4.671033763e+00 -4.671033763e+00 2.52 -4.890857361e+00 -4.890857361e+00 2.54 -5.078478384e+00 -5.078478384e+00 2.56 -5.232333716e+00 -5.232333716e+00 2.58 -5.365737528e+00 -5.365737528e+00 2.60 -5.492098319e+00 -5.492098319e+00 2.62 -5.619808855e+00 -5.619808855e+00 2.64 -5.747399255e+00 -5.747399255e+00 2.66 -5.863628927e+00 -5.863628927e+00 2.68 -5.957266569e+00 -5.957266569e+00 2.70 -6.028909144e+00 -6.028909144e+00 2.72 -6.083996474e+00 -6.083996474e+00 2.74 -6.127112308e+00 -6.127112308e+00 2.76 -6.159947159e+00 -6.159947159e+00 2.78 -6.183660144e+00 -6.183660144e+00 2.80 -6.202269240e+00 -6.202269240e+00 2.82 -6.219926299e+00 -6.219926299e+00 2.84 -6.233245575e+00 -6.233245575e+00 2.86 -6.237065083e+00 -6.237065083e+00 2.88 -6.231324526e+00 -6.231324526e+00 2.90 -6.214158623e+00 -6.214158623e+00 2.92 -6.184234144e+00 -6.184234144e+00 2.94 -6.145107133e+00 -6.145107133e+00 2.96 -6.096726692e+00 -6.096726692e+00 2.98 -6.042997340e+00 -6.042997340e+00 3.00 -5.991075407e+00 -5.991075407e+00 3.02 -5.931754937e+00 -5.931754937e+00 3.04 -5.870595088e+00 -5.870595088e+00 3.06 -5.811372145e+00 -5.811372145e+00 3.08 -5.748546666e+00 -5.748546666e+00 3.10 -5.678007070e+00 -5.678007070e+00 3.12 -5.599535803e+00 -5.599535803e+00 3.14 -5.521503718e+00 -5.521503718e+00 3.16 -5.448359427e+00 -5.448359427e+00 3.18 -5.381258748e+00 -5.381258748e+00 3.20 -5.321165695e+00 -5.321165695e+00 3.22 -5.270233932e+00 -5.270233932e+00 3.24 -5.229900427e+00 -5.229900427e+00 3.26 -5.197471210e+00 -5.197471210e+00 3.28 -5.168901010e+00 -5.168901010e+00 3.30 -5.138656124e+00 -5.138656124e+00 3.32 -5.098244829e+00 -5.098244829e+00 3.34 -5.055033895e+00 -5.055033895e+00 3.36 -4.990459080e+00 -4.990459080e+00 3.38 -4.938558226e+00 -4.938558226e+00 3.40 -4.869280896e+00 -4.869280896e+00 3.42 -4.762852288e+00 -4.762852288e+00 3.44 -4.666100516e+00 -4.666100516e+00 3.46 -4.504977052e+00 -4.504977052e+00 3.48 -4.279466200e+00 -4.279466200e+00 3.50 -4.050476547e+00 -4.050476547e+00 3.52 -3.829592166e+00 -3.829592166e+00 3.54 -3.636612836e+00 -3.636612836e+00 3.56 -3.514213257e+00 -3.514213257e+00 3.58 -3.433457178e+00 -3.433457178e+00 3.60 -3.355930641e+00 -3.355930641e+00 3.62 -3.277654322e+00 -3.277654322e+00 3.64 -3.195735319e+00 -3.195735319e+00 3.66 -3.106574228e+00 -3.106574228e+00 3.68 -3.012664948e+00 -3.012664948e+00 3.70 -2.917998112e+00 -2.917998112e+00 3.72 -2.827609189e+00 -2.827609189e+00 3.74 -2.746242981e+00 -2.746242981e+00 3.76 -2.675839438e+00 -2.675839438e+00 3.78 -2.616782086e+00 -2.616782086e+00 3.80 -2.568037783e+00 -2.568037783e+00 3.82 -2.523333802e+00 -2.523333802e+00 3.84 -2.480300427e+00 -2.480300427e+00 3.86 -2.438767092e+00 -2.438767092e+00 3.88 -2.398280871e+00 -2.398280871e+00 3.90 -2.358432265e+00 -2.358432265e+00 3.92 -2.318508562e+00 -2.318508562e+00 3.94 -2.279195774e+00 -2.279195774e+00 3.96 -2.242423460e+00 -2.242423460e+00 3.98 -2.208748124e+00 -2.208748124e+00 4.00 -2.176229282e+00 -2.176229282e+00 4.02 -2.143482692e+00 -2.143482692e+00 4.04 -2.110341512e+00 -2.110341512e+00 4.06 -2.078429926e+00 -2.078429926e+00 4.08 -2.049334701e+00 -2.049334701e+00 4.10 -2.023911539e+00 -2.023911539e+00 4.12 -2.002465385e+00 -2.002465385e+00 4.14 -1.984634413e+00 -1.984634413e+00 4.16 -1.969481274e+00 -1.969481274e+00 4.18 -1.956144799e+00 -1.956144799e+00 4.20 -1.943870703e+00 -1.943870703e+00 4.22 -1.931838574e+00 -1.931838574e+00 4.24 -1.919536408e+00 -1.919536408e+00 4.26 -1.906818667e+00 -1.906818667e+00 4.28 -1.893589957e+00 -1.893589957e+00 4.30 -1.879779248e+00 -1.879779248e+00 4.32 -1.865329454e+00 -1.865329454e+00 4.34 -1.850327997e+00 -1.850327997e+00 4.36 -1.834946112e+00 -1.834946112e+00 4.38 -1.819137871e+00 -1.819137871e+00 4.40 -1.802829678e+00 -1.802829678e+00 4.42 -1.785921766e+00 -1.785921766e+00 4.44 -1.768291066e+00 -1.768291066e+00 4.46 -1.749892809e+00 -1.749892809e+00 4.48 -1.730993664e+00 -1.730993664e+00 4.50 -1.711933721e+00 -1.711933721e+00 4.52 -1.693083892e+00 -1.693083892e+00 4.54 -1.674815729e+00 -1.674815729e+00 4.56 -1.657496392e+00 -1.657496392e+00 4.58 -1.641229303e+00 -1.641229303e+00 4.60 -1.625602258e+00 -1.625602258e+00 4.62 -1.610222386e+00 -1.610222386e+00 4.64 -1.594607130e+00 -1.594607130e+00 4.66 -1.578268137e+00 -1.578268137e+00 4.68 -1.560749769e+00 -1.560749769e+00 4.70 -1.541881742e+00 -1.541881742e+00 4.72 -1.521789486e+00 -1.521789486e+00 4.74 -1.500560834e+00 -1.500560834e+00 4.76 -1.478088670e+00 -1.478088670e+00 4.78 -1.454285375e+00 -1.454285375e+00 4.80 -1.429038674e+00 -1.429038674e+00 4.82 -1.402107266e+00 -1.402107266e+00 4.84 -1.373229494e+00 -1.373229494e+00 4.86 -1.342171570e+00 -1.342171570e+00 4.88 -1.309004424e+00 -1.309004424e+00 4.90 -1.274236636e+00 -1.274236636e+00 4.92 -1.238485847e+00 -1.238485847e+00 4.94 -1.202558749e+00 -1.202558749e+00 4.96 -1.166956637e+00 -1.166956637e+00 4.98 -1.132091363e+00 -1.132091363e+00 5.00 -1.098388606e+00 -1.098388606e+00 5.02 -1.066363503e+00 -1.066363503e+00 5.04 -1.036900227e+00 -1.036900227e+00 5.06 -1.010387098e+00 -1.010387098e+00 5.08 -9.868451365e-01 -9.868451365e-01 5.10 -9.648922094e-01 -9.648922094e-01 5.12 -9.418062968e-01 -9.418062968e-01 5.14 -9.163189981e-01 -9.163189981e-01 5.16 -8.887747872e-01 -8.887747872e-01 5.18 -8.600564010e-01 -8.600564010e-01 5.20 -8.308013840e-01 -8.308013840e-01 5.22 -8.012615173e-01 -8.012615173e-01 5.24 -7.713468171e-01 -7.713468171e-01 5.26 -7.407479223e-01 -7.407479223e-01 5.28 -7.098800840e-01 -7.098800840e-01 5.30 -6.798795461e-01 -6.798795461e-01 5.32 -6.524362026e-01 -6.524362026e-01 5.34 -6.289647048e-01 -6.289647048e-01 5.36 -6.105064751e-01 -6.105064751e-01 5.38 -5.964002495e-01 -5.964002495e-01 5.40 -5.802811247e-01 -5.802811247e-01 5.42 -5.612115757e-01 -5.612115757e-01 5.44 -5.397115072e-01 -5.397115072e-01 5.46 -5.164141060e-01 -5.164141060e-01 5.48 -4.919754275e-01 -4.919754275e-01 5.50 -4.670773224e-01 -4.670773224e-01 5.52 -4.424172423e-01 -4.424172423e-01 5.54 -4.186613255e-01 -4.186613255e-01 5.56 -3.957971868e-01 -3.957971868e-01 5.58 -3.732316119e-01 -3.732316119e-01 5.60 -3.503310626e-01 -3.503310626e-01 5.62 -3.264550926e-01 -3.264550926e-01 5.64 -3.009644401e-01 -3.009644401e-01 5.66 -2.731568759e-01 -2.731568759e-01 5.68 -2.425084189e-01 -2.425084189e-01 5.70 -2.101759063e-01 -2.101759063e-01 5.72 -1.781362393e-01 -1.781362393e-01 5.74 -1.483716429e-01 -1.483716429e-01 5.76 -1.227602442e-01 -1.227602442e-01 5.78 -1.030192482e-01 -1.030192482e-01 5.80 -9.069013599e-02 -9.069013599e-02 5.82 -8.634781356e-02 -8.634781356e-02 5.84 -8.833508130e-02 -8.833508130e-02 5.86 -9.467760667e-02 -9.467760667e-02 5.88 -1.035454470e-01 -1.035454470e-01 5.90 -1.132862014e-01 -1.132862014e-01 5.92 -1.224135906e-01 -1.224135906e-01 5.94 -1.295259185e-01 -1.295259185e-01 5.96 -1.337071216e-01 -1.337071216e-01 5.98 -1.346943873e-01 -1.346943873e-01 6.00 -1.320143101e-01 -1.320143101e-01