# 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 = AgW2Zr # 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 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 nan nan 1.28 4.303277251e+02 4.303277251e+02 1.30 3.984623875e+02 3.984623875e+02 1.32 3.690117020e+02 3.690117020e+02 1.34 3.417710786e+02 3.417710786e+02 1.36 3.165526628e+02 3.165526628e+02 1.38 2.931856313e+02 2.931856313e+02 1.40 2.715166906e+02 2.715166906e+02 1.42 2.514091994e+02 2.514091994e+02 1.44 2.327410604e+02 2.327410604e+02 1.46 2.154025600e+02 2.154025600e+02 1.48 1.992947751e+02 1.992947751e+02 1.50 1.843282829e+02 1.843282829e+02 1.52 1.704219435e+02 1.704219435e+02 1.54 1.575018378e+02 1.575018378e+02 1.56 1.455004734e+02 1.455004734e+02 1.58 1.343561752e+02 1.343561752e+02 1.60 1.240122598e+02 1.240122598e+02 1.62 1.144158746e+02 1.144158746e+02 1.64 1.055167863e+02 1.055167863e+02 1.66 9.726653842e+01 9.726653842e+01 1.68 8.961817430e+01 8.961817430e+01 1.70 8.252652377e+01 8.252652377e+01 1.72 7.594872075e+01 7.594872075e+01 1.74 6.984471170e+01 6.984471170e+01 1.76 6.417756539e+01 6.417756539e+01 1.78 5.891358758e+01 5.891358758e+01 1.80 5.402223421e+01 5.402223421e+01 1.82 4.947592042e+01 4.947592042e+01 1.84 4.524969672e+01 4.524969672e+01 1.86 4.132099537e+01 4.132099537e+01 1.88 3.766940304e+01 3.766940304e+01 1.90 3.427644258e+01 3.427644258e+01 1.92 3.112526464e+01 3.112526464e+01 1.94 2.820057956e+01 2.820057956e+01 1.96 2.548903103e+01 2.548903103e+01 1.98 2.297699894e+01 2.297699894e+01 2.00 2.065116405e+01 2.065116405e+01 2.02 1.849951962e+01 1.849951962e+01 2.04 1.650972619e+01 1.650972619e+01 2.06 1.466974642e+01 1.466974642e+01 2.08 1.296799520e+01 1.296799520e+01 2.10 1.139334262e+01 1.139334262e+01 2.12 9.935195238e+00 9.935195238e+00 2.14 8.583633064e+00 8.583633064e+00 2.16 7.329580985e+00 7.329580985e+00 2.18 6.164931179e+00 6.164931179e+00 2.20 5.082584517e+00 5.082584517e+00 2.22 4.076386510e+00 4.076386510e+00 2.24 3.141005429e+00 3.141005429e+00 2.26 2.271788179e+00 2.271788179e+00 2.28 1.464616314e+00 1.464616314e+00 2.30 7.158001860e-01 7.158001860e-01 2.32 2.195873822e-02 2.195873822e-02 2.34 -6.200344440e-01 -6.200344440e-01 2.36 -1.213130361e+00 -1.213130361e+00 2.38 -1.760143324e+00 -1.760143324e+00 2.40 -2.263778440e+00 -2.263778440e+00 2.42 -2.726649995e+00 -2.726649995e+00 2.44 -3.151283353e+00 -3.151283353e+00 2.46 -3.540115828e+00 -3.540115828e+00 2.48 -3.895485952e+00 -3.895485952e+00 2.50 -4.219617537e+00 -4.219617537e+00 2.52 -4.514600657e+00 -4.514600657e+00 2.54 -4.782373629e+00 -4.782373629e+00 2.56 -5.024710621e+00 -5.024710621e+00 2.58 -5.243219015e+00 -5.243219015e+00 2.60 -5.439348217e+00 -5.439348217e+00 2.62 -5.614384108e+00 -5.614384108e+00 2.64 -5.769380771e+00 -5.769380771e+00 2.66 -5.905535743e+00 -5.905535743e+00 2.68 -6.024015692e+00 -6.024015692e+00 2.70 -6.125914189e+00 -6.125914189e+00 2.72 -6.212270510e+00 -6.212270510e+00 2.74 -6.284084584e+00 -6.284084584e+00 2.76 -6.342330007e+00 -6.342330007e+00 2.78 -6.388009231e+00 -6.388009231e+00 2.80 -6.421774753e+00 -6.421774753e+00 2.82 -6.443813099e+00 -6.443813099e+00 2.84 -6.454347799e+00 -6.454347799e+00 2.86 -6.453679642e+00 -6.453679642e+00 2.88 -6.442180244e+00 -6.442180244e+00 2.90 -6.420290872e+00 -6.420290872e+00 2.92 -6.388524193e+00 -6.388524193e+00 2.94 -6.347417914e+00 -6.347417914e+00 2.96 -6.297468819e+00 -6.297468819e+00 2.98 -6.239249449e+00 -6.239249449e+00 3.00 -6.173411906e+00 -6.173411906e+00 3.02 -6.100661663e+00 -6.100661663e+00 3.04 -6.021724769e+00 -6.021724769e+00 3.06 -5.937320911e+00 -5.937320911e+00 3.08 -5.848120955e+00 -5.848120955e+00 3.10 -5.754727664e+00 -5.754727664e+00 3.12 -5.657651732e+00 -5.657651732e+00 3.14 -5.557316734e+00 -5.557316734e+00 3.16 -5.454037839e+00 -5.454037839e+00 3.18 -5.348047029e+00 -5.348047029e+00 3.20 -5.239504998e+00 -5.239504998e+00 3.22 -5.128521840e+00 -5.128521840e+00 3.24 -5.015183683e+00 -5.015183683e+00 3.26 -4.899702347e+00 -4.899702347e+00 3.28 -4.782083197e+00 -4.782083197e+00 3.30 -4.662257225e+00 -4.662257225e+00 3.32 -4.540224148e+00 -4.540224148e+00 3.34 -4.416058085e+00 -4.416058085e+00 3.36 -4.289910862e+00 -4.289910862e+00 3.38 -4.162026307e+00 -4.162026307e+00 3.40 -4.032749045e+00 -4.032749045e+00 3.42 -3.902505657e+00 -3.902505657e+00 3.44 -3.771793069e+00 -3.771793069e+00 3.46 -3.641175149e+00 -3.641175149e+00 3.48 -3.511267097e+00 -3.511267097e+00 3.50 -3.382714308e+00 -3.382714308e+00 3.52 -3.256166022e+00 -3.256166022e+00 3.54 -3.132246498e+00 -3.132246498e+00 3.56 -3.011527020e+00 -3.011527020e+00 3.58 -2.894501901e+00 -2.894501901e+00 3.60 -2.781570855e+00 -2.781570855e+00 3.62 -2.673029061e+00 -2.673029061e+00 3.64 -2.569065049e+00 -2.569065049e+00 3.66 -2.469765602e+00 -2.469765602e+00 3.68 -2.375126198e+00 -2.375126198e+00 3.70 -2.285065241e+00 -2.285065241e+00 3.72 -2.199440289e+00 -2.199440289e+00 3.74 -2.118064761e+00 -2.118064761e+00 3.76 -2.040723851e+00 -2.040723851e+00 3.78 -1.967188746e+00 -1.967188746e+00 3.80 -1.897228503e+00 -1.897228503e+00 3.82 -1.830619168e+00 -1.830619168e+00 3.84 -1.767149956e+00 -1.767149956e+00 3.86 -1.706626491e+00 -1.706626491e+00 3.88 -1.648871372e+00 -1.648871372e+00 3.90 -1.593722615e+00 -1.593722615e+00 3.92 -1.541029250e+00 -1.541029250e+00 3.94 -1.490654180e+00 -1.490654180e+00 3.96 -1.442461250e+00 -1.442461250e+00 3.98 -1.396320105e+00 -1.396320105e+00 4.00 -1.352103366e+00 -1.352103366e+00 4.02 -1.309686758e+00 -1.309686758e+00 4.04 -1.268950004e+00 -1.268950004e+00 4.06 -1.229778106e+00 -1.229778106e+00 4.08 -1.192062665e+00 -1.192062665e+00 4.10 -1.155697331e+00 -1.155697331e+00 4.12 -1.120602265e+00 -1.120602265e+00 4.14 -1.086687167e+00 -1.086687167e+00 4.16 -1.053877716e+00 -1.053877716e+00 4.18 -1.022108402e+00 -1.022108402e+00 4.20 -9.913221813e-01 -9.913221813e-01 4.22 -9.614699849e-01 -9.614699849e-01 4.24 -9.325101131e-01 -9.325101131e-01 4.26 -9.044075240e-01 -9.044075240e-01 4.28 -8.771330180e-01 -8.771330180e-01 4.30 -8.506623194e-01 -8.506623194e-01 4.32 -8.249750698e-01 -8.249750698e-01 4.34 -8.000537632e-01 -8.000537632e-01 4.36 -7.758826731e-01 -7.758826731e-01 4.38 -7.524468358e-01 -7.524468358e-01 4.40 -7.297311551e-01 -7.297311551e-01 4.42 -7.077196910e-01 -7.077196910e-01 4.44 -6.863951697e-01 -6.863951697e-01 4.46 -6.657387284e-01 -6.657387284e-01 4.48 -6.457297131e-01 -6.457297131e-01 4.50 -6.263461090e-01 -6.263461090e-01 4.52 -6.075649257e-01 -6.075649257e-01 4.54 -5.893622428e-01 -5.893622428e-01 4.56 -5.717136184e-01 -5.717136184e-01 4.58 -5.545944793e-01 -5.545944793e-01 4.60 -5.379804655e-01 -5.379804655e-01 4.62 -5.218477188e-01 -5.218477188e-01 4.64 -5.061731135e-01 -5.061731135e-01 4.66 -4.909344359e-01 -4.909344359e-01 4.68 -4.761105235e-01 -4.761105235e-01 4.70 -4.616813769e-01 -4.616813769e-01 4.72 -4.476282562e-01 -4.476282562e-01 4.74 -4.339337721e-01 -4.339337721e-01 4.76 -4.205819799e-01 -4.205819799e-01 4.78 -4.075584776e-01 -4.075584776e-01 4.80 -3.948473326e-01 -3.948473326e-01 4.82 -3.824444365e-01 -3.824444365e-01 4.84 -3.703368130e-01 -3.703368130e-01 4.86 -3.585172283e-01 -3.585172283e-01 4.88 -3.469803873e-01 -3.469803873e-01 4.90 -3.357229053e-01 -3.357229053e-01 4.92 -3.247432082e-01 -3.247432082e-01 4.94 -3.140413447e-01 -3.140413447e-01 4.96 -3.036187092e-01 -3.036187092e-01 4.98 -2.934776762e-01 -2.934776762e-01 5.00 -2.836211637e-01 -2.836211637e-01 5.02 -2.740521493e-01 -2.740521493e-01 5.04 -2.647731736e-01 -2.647731736e-01 5.06 -2.557858692e-01 -2.557858692e-01 5.08 -2.470905536e-01 -2.470905536e-01 5.10 -2.386859181e-01 -2.386859181e-01 5.12 -2.305688360e-01 -2.305688360e-01 5.14 -2.227342997e-01 -2.227342997e-01 5.16 -2.151754844e-01 -2.151754844e-01 5.18 -2.078839254e-01 -2.078839254e-01 5.20 -2.008497866e-01 -2.008497866e-01 5.22 -1.940621942e-01 -1.940621942e-01 5.24 -1.875096092e-01 -1.875096092e-01 5.26 -1.811802125e-01 -1.811802125e-01 5.28 -1.750622828e-01 -1.750622828e-01 5.30 -1.691445467e-01 -1.691445467e-01 5.32 -1.634164890e-01 -1.634164890e-01 5.34 -1.578686104e-01 -1.578686104e-01 5.36 -1.524926233e-01 -1.524926233e-01 5.38 -1.472815774e-01 -1.472815774e-01 5.40 -1.422299091e-01 -1.422299091e-01 5.42 -1.373334105e-01 -1.373334105e-01 5.44 -1.325891180e-01 -1.325891180e-01 5.46 -1.279951263e-01 -1.279951263e-01 5.48 -1.235503387e-01 -1.235503387e-01 5.50 -1.192541711e-01 -1.192541711e-01 5.52 -1.151062361e-01 -1.151062361e-01 5.54 -1.111060291e-01 -1.111060291e-01 5.56 -1.072526462e-01 -1.072526462e-01 5.58 -1.035445538e-01 -1.035445538e-01 5.60 -9.997930006e-02 -9.997930006e-02 5.62 -9.655361836e-02 -9.655361836e-02 5.64 -9.326353459e-02 -9.326353459e-02 5.66 -9.010419168e-02 -9.010419168e-02 5.68 -8.706995860e-02 -8.706995860e-02 5.70 -8.415457277e-02 -8.415457277e-02 5.72 -8.135129769e-02 -8.135129769e-02 5.74 -7.865308055e-02 -7.865308055e-02 5.76 -7.605269850e-02 -7.605269850e-02 5.78 -7.354288611e-02 -7.354288611e-02 5.80 -7.111644023e-02 -7.111644023e-02 5.82 -6.876630176e-02 -6.876630176e-02 5.84 -6.648561604e-02 -6.648561604e-02 5.86 -6.426777496e-02 -6.426777496e-02 5.88 -6.210644502e-02 -6.210644502e-02 5.90 -5.999558546e-02 -5.999558546e-02 5.92 -5.792946090e-02 -5.792946090e-02 5.94 -5.590265232e-02 -5.590265232e-02 5.96 -5.391006989e-02 -5.391006989e-02 5.98 -5.194697060e-02 -5.194697060e-02 6.00 -5.000898292e-02 -5.000898292e-02