# 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 = Al2PtTa # 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 2.354129646e+02 2.354129646e+02 1.30 2.197959241e+02 2.197959241e+02 1.32 2.051995074e+02 2.051995074e+02 1.34 1.915457145e+02 1.915457145e+02 1.36 1.787648876e+02 1.787648876e+02 1.38 1.667887848e+02 1.667887848e+02 1.40 1.555495867e+02 1.555495867e+02 1.42 1.449849849e+02 1.449849849e+02 1.44 1.350447300e+02 1.350447300e+02 1.46 1.256942271e+02 1.256942271e+02 1.48 1.169125115e+02 1.169125115e+02 1.50 1.086846805e+02 1.086846805e+02 1.52 1.009927104e+02 1.009927104e+02 1.54 9.380982025e+01 9.380982025e+01 1.56 8.710041951e+01 8.710041951e+01 1.58 8.082386080e+01 8.082386080e+01 1.60 7.493909356e+01 7.493909356e+01 1.62 6.940840018e+01 6.940840018e+01 1.64 6.419970303e+01 6.419970303e+01 1.66 5.928745518e+01 5.928745518e+01 1.68 5.465216279e+01 5.465216279e+01 1.70 5.027877835e+01 5.027877835e+01 1.72 4.615469204e+01 4.615469204e+01 1.74 4.227085947e+01 4.227085947e+01 1.76 3.861523724e+01 3.861523724e+01 1.78 3.518481570e+01 3.518481570e+01 1.80 3.200542739e+01 3.200542739e+01 1.82 2.905899831e+01 2.905899831e+01 1.84 2.632669144e+01 2.632669144e+01 1.86 2.379373262e+01 2.379373262e+01 1.88 2.144544766e+01 2.144544766e+01 1.90 1.926918221e+01 1.926918221e+01 1.92 1.725385786e+01 1.725385786e+01 1.94 1.538952095e+01 1.538952095e+01 1.96 1.366698960e+01 1.366698960e+01 1.98 1.207756749e+01 1.207756749e+01 2.00 1.061279828e+01 1.061279828e+01 2.02 9.264286829e+00 9.264286829e+00 2.04 8.023647812e+00 8.023647812e+00 2.06 6.882602824e+00 6.882602824e+00 2.08 5.833167660e+00 5.833167660e+00 2.10 4.867833224e+00 4.867833224e+00 2.12 3.979673911e+00 3.979673911e+00 2.14 3.162376567e+00 3.162376567e+00 2.16 2.410221548e+00 2.410221548e+00 2.18 1.718049563e+00 1.718049563e+00 2.20 1.081228630e+00 1.081228630e+00 2.22 4.956178311e-01 4.956178311e-01 2.24 -4.247985986e-02 -4.247985986e-02 2.26 -5.363775601e-01 -5.363775601e-01 2.28 -9.890717011e-01 -9.890717011e-01 2.30 -1.403307147e+00 -1.403307147e+00 2.32 -1.781631872e+00 -1.781631872e+00 2.34 -2.126435935e+00 -2.126435935e+00 2.36 -2.439973993e+00 -2.439973993e+00 2.38 -2.724374191e+00 -2.724374191e+00 2.40 -2.981638786e+00 -2.981638786e+00 2.42 -3.213642309e+00 -3.213642309e+00 2.44 -3.422107660e+00 -3.422107660e+00 2.46 -3.608565627e+00 -3.608565627e+00 2.48 -3.774643804e+00 -3.774643804e+00 2.50 -3.921886301e+00 -3.921886301e+00 2.52 -4.051754946e+00 -4.051754946e+00 2.54 -4.165667914e+00 -4.165667914e+00 2.56 -4.265034091e+00 -4.265034091e+00 2.58 -4.352161553e+00 -4.352161553e+00 2.60 -4.428865401e+00 -4.428865401e+00 2.62 -4.495948565e+00 -4.495948565e+00 2.64 -4.554184994e+00 -4.554184994e+00 2.66 -4.604316164e+00 -4.604316164e+00 2.68 -4.646996255e+00 -4.646996255e+00 2.70 -4.682756979e+00 -4.682756979e+00 2.72 -4.711997005e+00 -4.711997005e+00 2.74 -4.734993189e+00 -4.734993189e+00 2.76 -4.751925529e+00 -4.751925529e+00 2.78 -4.762906844e+00 -4.762906844e+00 2.80 -4.768010731e+00 -4.768010731e+00 2.82 -4.767294744e+00 -4.767294744e+00 2.84 -4.760818916e+00 -4.760818916e+00 2.86 -4.748660911e+00 -4.748660911e+00 2.88 -4.730929427e+00 -4.730929427e+00 2.90 -4.707776582e+00 -4.707776582e+00 2.92 -4.679408774e+00 -4.679408774e+00 2.94 -4.646094280e+00 -4.646094280e+00 2.96 -4.608246098e+00 -4.608246098e+00 2.98 -4.567257849e+00 -4.567257849e+00 3.00 -4.523544231e+00 -4.523544231e+00 3.02 -4.477190536e+00 -4.477190536e+00 3.04 -4.428325534e+00 -4.428325534e+00 3.06 -4.377096017e+00 -4.377096017e+00 3.08 -4.323647030e+00 -4.323647030e+00 3.10 -4.268109165e+00 -4.268109165e+00 3.12 -4.210592640e+00 -4.210592640e+00 3.14 -4.151187646e+00 -4.151187646e+00 3.16 -4.089977144e+00 -4.089977144e+00 3.18 -4.027051673e+00 -4.027051673e+00 3.20 -3.962500736e+00 -3.962500736e+00 3.22 -3.896422197e+00 -3.896422197e+00 3.24 -3.828932348e+00 -3.828932348e+00 3.26 -3.760172941e+00 -3.760172941e+00 3.28 -3.690314110e+00 -3.690314110e+00 3.30 -3.619552720e+00 -3.619552720e+00 3.32 -3.548106397e+00 -3.548106397e+00 3.34 -3.476204221e+00 -3.476204221e+00 3.36 -3.404120118e+00 -3.404120118e+00 3.38 -3.332207655e+00 -3.332207655e+00 3.40 -3.260766701e+00 -3.260766701e+00 3.42 -3.190020450e+00 -3.190020450e+00 3.44 -3.120117964e+00 -3.120117964e+00 3.46 -3.051141068e+00 -3.051141068e+00 3.48 -2.983114235e+00 -2.983114235e+00 3.50 -2.916016025e+00 -2.916016025e+00 3.52 -2.849790761e+00 -2.849790761e+00 3.54 -2.784359485e+00 -2.784359485e+00 3.56 -2.719629633e+00 -2.719629633e+00 3.58 -2.655503235e+00 -2.655503235e+00 3.60 -2.591883694e+00 -2.591883694e+00 3.62 -2.528681354e+00 -2.528681354e+00 3.64 -2.465818109e+00 -2.465818109e+00 3.66 -2.403231258e+00 -2.403231258e+00 3.68 -2.340876748e+00 -2.340876748e+00 3.70 -2.278731829e+00 -2.278731829e+00 3.72 -2.216797021e+00 -2.216797021e+00 3.74 -2.155097239e+00 -2.155097239e+00 3.76 -2.093681850e+00 -2.093681850e+00 3.78 -2.032623449e+00 -2.032623449e+00 3.80 -1.972015224e+00 -1.972015224e+00 3.82 -1.911966882e+00 -1.911966882e+00 3.84 -1.852599295e+00 -1.852599295e+00 3.86 -1.794038176e+00 -1.794038176e+00 3.88 -1.736407281e+00 -1.736407281e+00 3.90 -1.679821685e+00 -1.679821685e+00 3.92 -1.624381739e+00 -1.624381739e+00 3.94 -1.570168271e+00 -1.570168271e+00 3.96 -1.517239328e+00 -1.517239328e+00 3.98 -1.465628833e+00 -1.465628833e+00 4.00 -1.415347072e+00 -1.415347072e+00 4.02 -1.366382930e+00 -1.366382930e+00 4.04 -1.318707579e+00 -1.318707579e+00 4.06 -1.272279247e+00 -1.272279247e+00 4.08 -1.227048637e+00 -1.227048637e+00 4.10 -1.182964499e+00 -1.182964499e+00 4.12 -1.139979051e+00 -1.139979051e+00 4.14 -1.098052487e+00 -1.098052487e+00 4.16 -1.057156666e+00 -1.057156666e+00 4.18 -1.017277369e+00 -1.017277369e+00 4.20 -9.784151188e-01 -9.784151188e-01 4.22 -9.405845256e-01 -9.405845256e-01 4.24 -9.038122904e-01 -9.038122904e-01 4.26 -8.681341029e-01 -8.681341029e-01 4.28 -8.335907588e-01 -8.335907588e-01 4.30 -8.002238513e-01 -8.002238513e-01 4.32 -7.680713937e-01 -7.680713937e-01 4.34 -7.371637043e-01 -7.371637043e-01 4.36 -7.075198477e-01 -7.075198477e-01 4.38 -6.791448728e-01 -6.791448728e-01 4.40 -6.520280247e-01 -6.520280247e-01 4.42 -6.261420195e-01 -6.261420195e-01 4.44 -6.014433772e-01 -6.014433772e-01 4.46 -5.778737042e-01 -5.778737042e-01 4.48 -5.553617375e-01 -5.553617375e-01 4.50 -5.338259118e-01 -5.338259118e-01 4.52 -5.131772010e-01 -5.131772010e-01 4.54 -4.933220089e-01 -4.933220089e-01 4.56 -4.741649404e-01 -4.741649404e-01 4.58 -4.556113413e-01 -4.556113413e-01 4.60 -4.375695597e-01 -4.375695597e-01 4.62 -4.199529290e-01 -4.199529290e-01 4.64 -4.026815005e-01 -4.026815005e-01 4.66 -3.856835705e-01 -3.856835705e-01 4.68 -3.688970372e-01 -3.688970372e-01 4.70 -3.522706092e-01 -3.522706092e-01 4.72 -3.357648588e-01 -3.357648588e-01 4.74 -3.193530878e-01 -3.193530878e-01 4.76 -3.030219460e-01 -3.030219460e-01 4.78 -2.867717298e-01 -2.867717298e-01 4.80 -2.706162687e-01 -2.706162687e-01 4.82 -2.545824065e-01 -2.545824065e-01 4.84 -2.387088542e-01 -2.387088542e-01 4.86 -2.230446643e-01 -2.230446643e-01 4.88 -2.076471778e-01 -2.076471778e-01 4.90 -1.925796106e-01 -1.925796106e-01 4.92 -1.779083867e-01 -1.779083867e-01 4.94 -1.637003603e-01 -1.637003603e-01 4.96 -1.500200779e-01 -1.500200779e-01 4.98 -1.369272218e-01 -1.369272218e-01 5.00 -1.244743593e-01 -1.244743593e-01 5.02 -1.127051118e-01 -1.127051118e-01 5.04 -1.016528112e-01 -1.016528112e-01 5.06 -9.133967581e-02 -9.133967581e-02 5.08 -8.177653780e-02 -8.177653780e-02 5.10 -7.296308428e-02 -7.296308428e-02 5.12 -6.488859563e-02 -6.488859563e-02 5.14 -5.753304334e-02 -5.753304334e-02 5.16 -5.086842339e-02 -5.086842339e-02 5.18 -4.485989614e-02 -4.485989614e-02 5.20 -3.946854834e-02 -3.946854834e-02 5.22 -3.465228360e-02 -3.465228360e-02 5.24 -3.036704604e-02 -3.036704604e-02 5.26 -2.656816169e-02 -2.656816169e-02 5.28 -2.321144419e-02 -2.321144419e-02 5.30 -2.025409154e-02 -2.025409154e-02 5.32 -1.765532424e-02 -1.765532424e-02 5.34 -1.537684085e-02 -1.537684085e-02 5.36 -1.338311131e-02 -1.338311131e-02 5.38 -1.164190385e-02 -1.164190385e-02 5.40 -1.012345795e-02 -1.012345795e-02 5.42 -8.800686107e-03 -8.800686107e-03 5.44 -7.649416396e-03 -7.649416396e-03 5.46 -6.648168472e-03 -6.648168472e-03 5.48 -5.777926253e-03 -5.777926253e-03 5.50 -5.021912761e-03 -5.021912761e-03 5.52 -4.365371589e-03 -4.365371589e-03 5.54 -3.795358522e-03 -3.795358522e-03 5.56 -3.300545763e-03 -3.300545763e-03 5.58 -2.871040364e-03 -2.871040364e-03 5.60 -2.498217678e-03 -2.498217678e-03 5.62 -2.174570005e-03 -2.174570005e-03 5.64 -1.893570166e-03 -1.893570166e-03 5.66 -1.649549367e-03 -1.649549367e-03 5.68 -1.437588510e-03 -1.437588510e-03 5.70 -1.253421951e-03 -1.253421951e-03 5.72 -1.093352648e-03 -1.093352648e-03 5.74 -9.541776311e-04 -9.541776311e-04 5.76 -8.331227313e-04 -8.331227313e-04 5.78 -7.277855814e-04 -7.277855814e-04 5.80 -6.360859435e-04 -6.360859435e-04 5.82 -5.562225056e-04 -5.562225056e-04 5.84 -4.866353625e-04 -4.866353625e-04 5.86 -4.259734747e-04 -4.259734747e-04 5.88 -3.730664757e-04 -3.730664757e-04 5.90 -3.269002655e-04 -3.269002655e-04 5.92 -2.865958982e-04 -2.865958982e-04 5.94 -2.513913260e-04 -2.513913260e-04 5.96 -2.206256211e-04 -2.206256211e-04 5.98 -1.937253415e-04 -1.937253415e-04 6.00 -1.701927520e-04 -1.701927520e-04