# 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 = AlNi2Pt # 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 1.576412218e+02 1.576412218e+02 1.30 1.459732727e+02 1.459732727e+02 1.32 1.351059594e+02 1.351059594e+02 1.34 1.249915013e+02 1.249915013e+02 1.36 1.155855461e+02 1.155855461e+02 1.38 1.068393351e+02 1.068393351e+02 1.40 9.869945141e+01 9.869945141e+01 1.42 9.111290220e+01 9.111290220e+01 1.44 8.403236987e+01 8.403236987e+01 1.46 7.741877070e+01 7.741877070e+01 1.48 7.124085759e+01 7.124085759e+01 1.50 6.547290364e+01 6.547290364e+01 1.52 6.009161234e+01 6.009161234e+01 1.54 5.507326067e+01 5.507326067e+01 1.56 5.039224097e+01 5.039224097e+01 1.58 4.602142093e+01 4.602142093e+01 1.60 4.193350322e+01 4.193350322e+01 1.62 3.810242594e+01 3.810242594e+01 1.64 3.450444961e+01 3.450444961e+01 1.66 3.113612279e+01 3.113612279e+01 1.68 2.802679819e+01 2.802679819e+01 1.70 2.516075469e+01 2.516075469e+01 1.72 2.252157087e+01 2.252157087e+01 1.74 2.009432264e+01 2.009432264e+01 1.76 1.786489520e+01 1.786489520e+01 1.78 1.581931051e+01 1.581931051e+01 1.80 1.394376633e+01 1.394376633e+01 1.82 1.222499554e+01 1.222499554e+01 1.84 1.065058299e+01 1.065058299e+01 1.86 9.209119494e+00 9.209119494e+00 1.88 7.890197540e+00 7.890197540e+00 1.90 6.684279399e+00 6.684279399e+00 1.92 5.582492531e+00 5.582492531e+00 1.94 4.576429994e+00 4.576429994e+00 1.96 3.658034632e+00 3.658034632e+00 1.98 2.819615803e+00 2.819615803e+00 2.00 2.053982377e+00 2.053982377e+00 2.02 1.354611019e+00 1.354611019e+00 2.04 7.157539659e-01 7.157539659e-01 2.06 1.324344870e-01 1.324344870e-01 2.08 -3.996580977e-01 -3.996580977e-01 2.10 -8.843218825e-01 -8.843218825e-01 2.12 -1.324989282e+00 -1.324989282e+00 2.14 -1.724833337e+00 -1.724833337e+00 2.16 -2.086825049e+00 -2.086825049e+00 2.18 -2.413752622e+00 -2.413752622e+00 2.20 -2.708220905e+00 -2.708220905e+00 2.22 -2.972645990e+00 -2.972645990e+00 2.24 -3.209252127e+00 -3.209252127e+00 2.26 -3.420073392e+00 -3.420073392e+00 2.28 -3.606963081e+00 -3.606963081e+00 2.30 -3.771614607e+00 -3.771614607e+00 2.32 -3.915593414e+00 -3.915593414e+00 2.34 -4.040370367e+00 -4.040370367e+00 2.36 -4.147344427e+00 -4.147344427e+00 2.38 -4.238825496e+00 -4.238825496e+00 2.40 -4.316572840e+00 -4.316572840e+00 2.42 -4.381301362e+00 -4.381301362e+00 2.44 -4.433732316e+00 -4.433732316e+00 2.46 -4.474612339e+00 -4.474612339e+00 2.48 -4.504738118e+00 -4.504738118e+00 2.50 -4.524975321e+00 -4.524975321e+00 2.52 -4.536261989e+00 -4.536261989e+00 2.54 -4.539589320e+00 -4.539589320e+00 2.56 -4.535960564e+00 -4.535960564e+00 2.58 -4.526346881e+00 -4.526346881e+00 2.60 -4.511637863e+00 -4.511637863e+00 2.62 -4.492603443e+00 -4.492603443e+00 2.64 -4.469874044e+00 -4.469874044e+00 2.66 -4.443940004e+00 -4.443940004e+00 2.68 -4.415284504e+00 -4.415284504e+00 2.70 -4.384548800e+00 -4.384548800e+00 2.72 -4.351537246e+00 -4.351537246e+00 2.74 -4.316026734e+00 -4.316026734e+00 2.76 -4.277865479e+00 -4.277865479e+00 2.78 -4.236958250e+00 -4.236958250e+00 2.80 -4.193249376e+00 -4.193249376e+00 2.82 -4.146708219e+00 -4.146708219e+00 2.84 -4.097321599e+00 -4.097321599e+00 2.86 -4.045098300e+00 -4.045098300e+00 2.88 -3.990086469e+00 -3.990086469e+00 2.90 -3.932377497e+00 -3.932377497e+00 2.92 -3.872117368e+00 -3.872117368e+00 2.94 -3.809517658e+00 -3.809517658e+00 2.96 -3.744858383e+00 -3.744858383e+00 2.98 -3.678480623e+00 -3.678480623e+00 3.00 -3.610769235e+00 -3.610769235e+00 3.02 -3.542128627e+00 -3.542128627e+00 3.04 -3.472956326e+00 -3.472956326e+00 3.06 -3.403619267e+00 -3.403619267e+00 3.08 -3.334436108e+00 -3.334436108e+00 3.10 -3.265667129e+00 -3.265667129e+00 3.12 -3.197511194e+00 -3.197511194e+00 3.14 -3.130108492e+00 -3.130108492e+00 3.16 -3.063550135e+00 -3.063550135e+00 3.18 -2.997928017e+00 -2.997928017e+00 3.20 -2.933322057e+00 -2.933322057e+00 3.22 -2.869770490e+00 -2.869770490e+00 3.24 -2.807282688e+00 -2.807282688e+00 3.26 -2.745850027e+00 -2.745850027e+00 3.28 -2.685453742e+00 -2.685453742e+00 3.30 -2.626070247e+00 -2.626070247e+00 3.32 -2.567674497e+00 -2.567674497e+00 3.34 -2.510241888e+00 -2.510241888e+00 3.36 -2.453749152e+00 -2.453749152e+00 3.38 -2.398174564e+00 -2.398174564e+00 3.40 -2.343497705e+00 -2.343497705e+00 3.42 -2.289699003e+00 -2.289699003e+00 3.44 -2.236759147e+00 -2.236759147e+00 3.46 -2.184658567e+00 -2.184658567e+00 3.48 -2.133377038e+00 -2.133377038e+00 3.50 -2.082893495e+00 -2.082893495e+00 3.52 -2.033186102e+00 -2.033186102e+00 3.54 -1.984232548e+00 -1.984232548e+00 3.56 -1.936010527e+00 -1.936010527e+00 3.58 -1.888498296e+00 -1.888498296e+00 3.60 -1.841675230e+00 -1.841675230e+00 3.62 -1.795522277e+00 -1.795522277e+00 3.64 -1.750022287e+00 -1.750022287e+00 3.66 -1.705160214e+00 -1.705160214e+00 3.68 -1.660923282e+00 -1.660923282e+00 3.70 -1.617301175e+00 -1.617301175e+00 3.72 -1.574286370e+00 -1.574286370e+00 3.74 -1.531874644e+00 -1.531874644e+00 3.76 -1.490065744e+00 -1.490065744e+00 3.78 -1.448864117e+00 -1.448864117e+00 3.80 -1.408279494e+00 -1.408279494e+00 3.82 -1.368327100e+00 -1.368327100e+00 3.84 -1.329027228e+00 -1.329027228e+00 3.86 -1.290404004e+00 -1.290404004e+00 3.88 -1.252483327e+00 -1.252483327e+00 3.90 -1.215290134e+00 -1.215290134e+00 3.92 -1.178845358e+00 -1.178845358e+00 3.94 -1.143163092e+00 -1.143163092e+00 3.96 -1.108248399e+00 -1.108248399e+00 3.98 -1.074096257e+00 -1.074096257e+00 4.00 -1.040691771e+00 -1.040691771e+00 4.02 -1.008011670e+00 -1.008011670e+00 4.04 -9.760268310e-01 -9.760268310e-01 4.06 -9.447054831e-01 -9.447054831e-01 4.08 -9.140166582e-01 -9.140166582e-01 4.10 -8.839334658e-01 -8.839334658e-01 4.12 -8.544358968e-01 -8.544358968e-01 4.14 -8.255126853e-01 -8.255126853e-01 4.16 -7.971622841e-01 -7.971622841e-01 4.18 -7.693926704e-01 -7.693926704e-01 4.20 -7.422200981e-01 -7.422200981e-01 4.22 -7.156669465e-01 -7.156669465e-01 4.24 -6.897589509e-01 -6.897589509e-01 4.26 -6.645221788e-01 -6.645221788e-01 4.28 -6.399801492e-01 -6.399801492e-01 4.30 -6.161514439e-01 -6.161514439e-01 4.32 -5.930480655e-01 -5.930480655e-01 4.34 -5.706746522e-01 -5.706746522e-01 4.36 -5.490285129e-01 -5.490285129e-01 4.38 -5.281003192e-01 -5.281003192e-01 4.40 -5.078752056e-01 -5.078752056e-01 4.42 -4.883339972e-01 -4.883339972e-01 4.44 -4.694543107e-01 -4.694543107e-01 4.46 -4.512113411e-01 -4.512113411e-01 4.48 -4.335782442e-01 -4.335782442e-01 4.50 -4.165261349e-01 -4.165261349e-01 4.52 -4.000238123e-01 -4.000238123e-01 4.54 -3.840373872e-01 -3.840373872e-01 4.56 -3.685300068e-01 -3.685300068e-01 4.58 -3.534618499e-01 -3.534618499e-01 4.60 -3.387905110e-01 -3.387905110e-01 4.62 -3.244718204e-01 -3.244718204e-01 4.64 -3.104610849e-01 -3.104610849e-01 4.66 -2.967146430e-01 -2.967146430e-01 4.68 -2.831916306e-01 -2.831916306e-01 4.70 -2.698558222e-01 -2.698558222e-01 4.72 -2.566774334e-01 -2.566774334e-01 4.74 -2.436346603e-01 -2.436346603e-01 4.76 -2.307146408e-01 -2.307146408e-01 4.78 -2.179156510e-01 -2.179156510e-01 4.80 -2.052455913e-01 -2.052455913e-01 4.82 -1.927218571e-01 -1.927218571e-01 4.84 -1.803714578e-01 -1.803714578e-01 4.86 -1.682296104e-01 -1.682296104e-01 4.88 -1.563379279e-01 -1.563379279e-01 4.90 -1.447423376e-01 -1.447423376e-01 4.92 -1.334908451e-01 -1.334908451e-01 4.94 -1.226312810e-01 -1.226312810e-01 4.96 -1.122091618e-01 -1.122091618e-01 4.98 -1.022657778e-01 -1.022657778e-01 5.00 -9.283659376e-02 -9.283659376e-02 5.02 -8.395002145e-02 -8.395002145e-02 5.04 -7.562659246e-02 -7.562659246e-02 5.06 -6.787853811e-02 -6.787853811e-02 5.08 -6.070976022e-02 -6.070976022e-02 5.10 -5.411615814e-02 -5.411615814e-02 5.12 -4.808626124e-02 -4.808626124e-02 5.14 -4.260210279e-02 -4.260210279e-02 5.16 -3.764026258e-02 -3.764026258e-02 5.18 -3.317300288e-02 -3.317300288e-02 5.20 -2.916942534e-02 -2.916942534e-02 5.22 -2.559658586e-02 -2.559658586e-02 5.24 -2.242051651e-02 -2.242051651e-02 5.26 -1.960711714e-02 -1.960711714e-02 5.28 -1.712290321e-02 -1.712290321e-02 5.30 -1.493559690e-02 -1.493559690e-02 5.32 -1.301451035e-02 -1.301451035e-02 5.34 -1.133059657e-02 -1.133059657e-02 5.36 -9.857548195e-03 -9.857548195e-03 5.38 -8.571259868e-03 -8.571259868e-03 5.40 -7.449738731e-03 -7.449738731e-03 5.42 -6.473098896e-03 -6.473098896e-03 5.44 -5.623494218e-03 -5.623494218e-03 5.46 -4.885009815e-03 -4.885009815e-03 5.48 -4.243528271e-03 -4.243528271e-03 5.50 -3.686582605e-03 -3.686582605e-03 5.52 -3.203204827e-03 -3.203204827e-03 5.54 -2.783776368e-03 -2.783776368e-03 5.56 -2.419884584e-03 -2.419884584e-03 5.58 -2.104188026e-03 -2.104188026e-03 5.60 -1.830291991e-03 -1.830291991e-03 5.62 -1.592635022e-03 -1.592635022e-03 5.64 -1.386386456e-03 -1.386386456e-03 5.66 -1.207354698e-03 -1.207354698e-03 5.68 -1.051905642e-03 -1.051905642e-03 5.70 -9.168905304e-04 -9.168905304e-04 5.72 -7.995824357e-04 -7.995824357e-04 5.74 -6.976205596e-04 -6.976205596e-04 5.76 -6.089615289e-04 -6.089615289e-04 5.78 -5.318369276e-04 -5.318369276e-04 5.80 -4.647163444e-04 -4.647163444e-04 5.82 -4.062752766e-04 -4.062752766e-04 5.84 -3.553672932e-04 -3.553672932e-04 5.86 -3.109999202e-04 -3.109999202e-04 5.88 -2.723137716e-04 -2.723137716e-04 5.90 -2.385645007e-04 -2.385645007e-04 5.92 -2.091072020e-04 -2.091072020e-04 5.94 -1.833829350e-04 -1.833829350e-04 5.96 -1.609070857e-04 -1.609070857e-04 5.98 -1.412593169e-04 -1.412593169e-04 6.00 -1.240748908e-04 -1.240748908e-04