# 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 = MoPtW2 # 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 4.617778387e+02 4.617778387e+02 1.30 4.289196469e+02 4.289196469e+02 1.32 3.983944442e+02 3.983944442e+02 1.34 3.700316083e+02 3.700316083e+02 1.36 3.436867491e+02 3.436867491e+02 1.38 3.192272742e+02 3.192272742e+02 1.40 2.965222814e+02 2.965222814e+02 1.42 2.754396208e+02 2.754396208e+02 1.44 2.558484956e+02 2.558484956e+02 1.46 2.376245772e+02 2.376245772e+02 1.48 2.206545302e+02 2.206545302e+02 1.50 2.048378179e+02 2.048378179e+02 1.52 1.900857426e+02 1.900857426e+02 1.54 1.763192373e+02 1.763192373e+02 1.56 1.634668313e+02 1.634668313e+02 1.58 1.514631209e+02 1.514631209e+02 1.60 1.402474544e+02 1.402474544e+02 1.62 1.297628282e+02 1.297628282e+02 1.64 1.199553991e+02 1.199553991e+02 1.66 1.107748535e+02 1.107748535e+02 1.68 1.021753479e+02 1.021753479e+02 1.70 9.411638756e+01 9.411638756e+01 1.72 8.656306505e+01 8.656306505e+01 1.74 7.948542286e+01 7.948542286e+01 1.76 7.285722462e+01 7.285722462e+01 1.78 6.665478073e+01 6.665478073e+01 1.80 6.085624089e+01 6.085624089e+01 1.82 5.544118885e+01 5.544118885e+01 1.84 5.039014756e+01 5.039014756e+01 1.86 4.568388300e+01 4.568388300e+01 1.88 4.130275405e+01 4.130275405e+01 1.90 3.722726691e+01 3.722726691e+01 1.92 3.343697022e+01 3.343697022e+01 1.94 2.991164970e+01 2.991164970e+01 1.96 2.666280960e+01 2.666280960e+01 1.98 2.369156493e+01 2.369156493e+01 2.00 2.097170697e+01 2.097170697e+01 2.02 1.848014399e+01 1.848014399e+01 2.04 1.619640250e+01 1.619640250e+01 2.06 1.410211927e+01 1.410211927e+01 2.08 1.218061514e+01 1.218061514e+01 2.10 1.041659109e+01 1.041659109e+01 2.12 8.795952120e+00 8.795952120e+00 2.14 7.305745174e+00 7.305745174e+00 2.16 5.934181799e+00 5.934181799e+00 2.18 4.670697526e+00 4.670697526e+00 2.20 3.505990608e+00 3.505990608e+00 2.22 2.431995509e+00 2.431995509e+00 2.24 1.441778105e+00 1.441778105e+00 2.26 5.293711163e-01 5.293711163e-01 2.28 -3.104161456e-01 -3.104161456e-01 2.30 -1.082181765e+00 -1.082181765e+00 2.32 -1.790088763e+00 -1.790088763e+00 2.34 -2.437988329e+00 -2.437988329e+00 2.36 -3.029509414e+00 -3.029509414e+00 2.38 -3.568119064e+00 -3.568119064e+00 2.40 -4.057158803e+00 -4.057158803e+00 2.42 -4.499862095e+00 -4.499862095e+00 2.44 -4.899357994e+00 -4.899357994e+00 2.46 -5.258666467e+00 -5.258666467e+00 2.48 -5.580690262e+00 -5.580690262e+00 2.50 -5.868205281e+00 -5.868205281e+00 2.52 -6.123846988e+00 -6.123846988e+00 2.54 -6.350088178e+00 -6.350088178e+00 2.56 -6.549161150e+00 -6.549161150e+00 2.58 -6.722986156e+00 -6.722986156e+00 2.60 -6.873495853e+00 -6.873495853e+00 2.62 -7.002366054e+00 -7.002366054e+00 2.64 -7.111011359e+00 -7.111011359e+00 2.66 -7.200634207e+00 -7.200634207e+00 2.68 -7.272283927e+00 -7.272283927e+00 2.70 -7.326912852e+00 -7.326912852e+00 2.72 -7.365406207e+00 -7.365406207e+00 2.74 -7.388393748e+00 -7.388393748e+00 2.76 -7.397418036e+00 -7.397418036e+00 2.78 -7.392903596e+00 -7.392903596e+00 2.80 -7.374798027e+00 -7.374798027e+00 2.82 -7.343238114e+00 -7.343238114e+00 2.84 -7.298550080e+00 -7.298550080e+00 2.86 -7.241126719e+00 -7.241126719e+00 2.88 -7.171434935e+00 -7.171434935e+00 2.90 -7.090030501e+00 -7.090030501e+00 2.92 -6.997575583e+00 -6.997575583e+00 2.94 -6.894852856e+00 -6.894852856e+00 2.96 -6.782768000e+00 -6.782768000e+00 2.98 -6.662254274e+00 -6.662254274e+00 3.00 -6.534213916e+00 -6.534213916e+00 3.02 -6.399603582e+00 -6.399603582e+00 3.04 -6.259384277e+00 -6.259384277e+00 3.06 -6.114459084e+00 -6.114459084e+00 3.08 -5.965620554e+00 -5.965620554e+00 3.10 -5.813514613e+00 -5.813514613e+00 3.12 -5.658623836e+00 -5.658623836e+00 3.14 -5.501269296e+00 -5.501269296e+00 3.16 -5.341627526e+00 -5.341627526e+00 3.18 -5.179758183e+00 -5.179758183e+00 3.20 -5.015637977e+00 -5.015637977e+00 3.22 -4.849197341e+00 -4.849197341e+00 3.24 -4.680357320e+00 -4.680357320e+00 3.26 -4.509065053e+00 -4.509065053e+00 3.28 -4.335326814e+00 -4.335326814e+00 3.30 -4.159237768e+00 -4.159237768e+00 3.32 -3.981007489e+00 -3.981007489e+00 3.34 -3.801043759e+00 -3.801043759e+00 3.36 -3.620278640e+00 -3.620278640e+00 3.38 -3.439873250e+00 -3.439873250e+00 3.40 -3.261040466e+00 -3.261040466e+00 3.42 -3.085017291e+00 -3.085017291e+00 3.44 -2.913025650e+00 -2.913025650e+00 3.46 -2.746226282e+00 -2.746226282e+00 3.48 -2.585671480e+00 -2.585671480e+00 3.50 -2.432262494e+00 -2.432262494e+00 3.52 -2.286716562e+00 -2.286716562e+00 3.54 -2.149546921e+00 -2.149546921e+00 3.56 -2.021057128e+00 -2.021057128e+00 3.58 -1.901348960e+00 -1.901348960e+00 3.60 -1.790341558e+00 -1.790341558e+00 3.62 -1.687798477e+00 -1.687798477e+00 3.64 -1.593359011e+00 -1.593359011e+00 3.66 -1.506570466e+00 -1.506570466e+00 3.68 -1.426918737e+00 -1.426918737e+00 3.70 -1.353855376e+00 -1.353855376e+00 3.72 -1.286820176e+00 -1.286820176e+00 3.74 -1.225258962e+00 -1.225258962e+00 3.76 -1.168636781e+00 -1.168636781e+00 3.78 -1.116447005e+00 -1.116447005e+00 3.80 -1.068216998e+00 -1.068216998e+00 3.82 -1.023511046e+00 -1.023511046e+00 3.84 -9.819312273e-01 -9.819312273e-01 3.86 -9.431167988e-01 -9.431167988e-01 3.88 -9.067426175e-01 -9.067426175e-01 3.90 -8.725169866e-01 -8.725169866e-01 3.92 -8.401792567e-01 -8.401792567e-01 3.94 -8.094974298e-01 -8.094974298e-01 3.96 -7.802659257e-01 -7.802659257e-01 3.98 -7.523036667e-01 -7.523036667e-01 4.00 -7.254525275e-01 -7.254525275e-01 4.02 -6.995761820e-01 -6.995761820e-01 4.04 -6.745593471e-01 -6.745593471e-01 4.06 -6.503072849e-01 -6.503072849e-01 4.08 -6.267454667e-01 -6.267454667e-01 4.10 -6.038194801e-01 -6.038194801e-01 4.12 -5.814943628e-01 -5.814943628e-01 4.14 -5.597520846e-01 -5.597520846e-01 4.16 -5.385911333e-01 -5.385911333e-01 4.18 -5.180237776e-01 -5.180237776e-01 4.20 -4.980724846e-01 -4.980724846e-01 4.22 -4.787657405e-01 -4.787657405e-01 4.24 -4.601335639e-01 -4.601335639e-01 4.26 -4.422031158e-01 -4.422031158e-01 4.28 -4.249948322e-01 -4.249948322e-01 4.30 -4.085194483e-01 -4.085194483e-01 4.32 -3.927761473e-01 -3.927761473e-01 4.34 -3.777518959e-01 -3.777518959e-01 4.36 -3.634218621e-01 -3.634218621e-01 4.38 -3.497506878e-01 -3.497506878e-01 4.40 -3.366943241e-01 -3.366943241e-01 4.42 -3.242021486e-01 -3.242021486e-01 4.44 -3.122190903e-01 -3.122190903e-01 4.46 -3.006875972e-01 -3.006875972e-01 4.48 -2.895493508e-01 -2.895493508e-01 4.50 -2.787467051e-01 -2.787467051e-01 4.52 -2.682238213e-01 -2.682238213e-01 4.54 -2.579273155e-01 -2.579273155e-01 4.56 -2.478077156e-01 -2.478077156e-01 4.58 -2.378197747e-01 -2.378197747e-01 4.60 -2.279229174e-01 -2.279229174e-01 4.62 -2.180819606e-01 -2.180819606e-01 4.64 -2.082678545e-01 -2.082678545e-01 4.66 -1.984584550e-01 -1.984584550e-01 4.68 -1.886393104e-01 -1.886393104e-01 4.70 -1.788044127e-01 -1.788044127e-01 4.72 -1.689568367e-01 -1.689568367e-01 4.74 -1.591091692e-01 -1.591091692e-01 4.76 -1.492836166e-01 -1.492836166e-01 4.78 -1.395116866e-01 -1.395116866e-01 4.80 -1.298333602e-01 -1.298333602e-01 4.82 -1.202957170e-01 -1.202957170e-01 4.84 -1.109510264e-01 -1.109510264e-01 4.86 -1.018544027e-01 -1.018544027e-01 4.88 -9.306117135e-02 -9.306117135e-02 4.90 -8.462415495e-02 -8.462415495e-02 4.92 -7.659110711e-02 -7.659110711e-02 4.94 -6.900251316e-02 -6.900251316e-02 4.96 -6.188993392e-02 -6.188993392e-02 4.98 -5.527500126e-02 -5.527500126e-02 5.00 -4.916909577e-02 -4.916909577e-02 5.02 -4.357366086e-02 -4.357366086e-02 5.04 -3.848104796e-02 -3.848104796e-02 5.06 -3.387574998e-02 -3.387574998e-02 5.08 -2.973586737e-02 -2.973586737e-02 5.10 -2.603465867e-02 -2.603465867e-02 5.12 -2.274205695e-02 -2.274205695e-02 5.14 -1.982605624e-02 -1.982605624e-02 5.16 -1.725384772e-02 -1.725384772e-02 5.18 -1.499254934e-02 -1.499254934e-02 5.20 -1.301091843e-02 -1.301091843e-02 5.22 -1.127925575e-02 -1.127925575e-02 5.24 -9.769686498e-03 -9.769686498e-03 5.26 -8.456432925e-03 -8.456432925e-03 5.28 -7.315945636e-03 -7.315945636e-03 5.30 -6.326927887e-03 -6.326927887e-03 5.32 -5.470282470e-03 -5.470282470e-03 5.34 -4.729005709e-03 -4.729005709e-03 5.36 -4.088048059e-03 -4.088048059e-03 5.38 -3.534156262e-03 -3.534156262e-03 5.40 -3.055708157e-03 -3.055708157e-03 5.42 -2.642548057e-03 -2.642548057e-03 5.44 -2.285828068e-03 -2.285828068e-03 5.46 -1.977858806e-03 -1.977858806e-03 5.48 -1.711971479e-03 -1.711971479e-03 5.50 -1.482392250e-03 -1.482392250e-03 5.52 -1.284129087e-03 -1.284129087e-03 5.54 -1.112870731e-03 -1.112870731e-03 5.56 -9.648971786e-04 -9.648971786e-04 5.58 -8.370008016e-04 -8.370008016e-04 5.60 -7.264172053e-04 -7.264172053e-04 5.62 -6.307648545e-04 -6.307648545e-04 5.64 -5.479925343e-04 -5.479925343e-04 5.66 -4.763337542e-04 -4.763337542e-04 5.68 -4.142672680e-04 -4.142672680e-04 5.70 -3.604829509e-04 -3.604829509e-04 5.72 -3.138523539e-04 -3.138523539e-04 5.74 -2.734033232e-04 -2.734033232e-04 5.76 -2.382981457e-04 -2.382981457e-04 5.78 -2.078147448e-04 -2.078147448e-04 5.80 -1.813305099e-04 -1.813305099e-04 5.82 -1.583083974e-04 -1.583083974e-04 5.84 -1.382849861e-04 -1.382849861e-04 5.86 -1.208602146e-04 -1.208602146e-04 5.88 -1.056885654e-04 -1.056885654e-04 5.90 -9.247148947e-05 -9.247148947e-05 5.92 -8.095089818e-05 -8.095089818e-05 5.94 -7.090357001e-05 -7.090357001e-05 5.96 -6.213634304e-05 -6.213634304e-05 5.98 -5.448198149e-05 -5.448198149e-05 6.00 -4.779562084e-05 -4.779562084e-05