# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1986--Foiles-S-M-Baskes-M-I-Daw-M-S--Ag-Au-Cu-Ni-Pd-Pt # implementation = 1986--Foiles-S-M--Ag-Au-Cu-Ni-Pd-Pt--LAMMPS--ipr1 # composition = AgNi2Pd # 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 2022-05-24 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 4.857869451e+02 4.857869451e+02 1.00 4.440832363e+02 4.440832363e+02 1.02 4.063993817e+02 4.063993817e+02 1.04 3.723039087e+02 3.723039087e+02 1.06 3.414156485e+02 3.414156485e+02 1.08 3.133913967e+02 3.133913967e+02 1.10 2.879301675e+02 2.879301675e+02 1.12 2.647640484e+02 2.647640484e+02 1.14 2.436554868e+02 2.436554868e+02 1.16 2.243994679e+02 2.243994679e+02 1.18 2.068068826e+02 2.068068826e+02 1.20 1.907145265e+02 1.907145265e+02 1.22 1.759731217e+02 1.759731217e+02 1.24 1.624548257e+02 1.624548257e+02 1.26 1.500411756e+02 1.500411756e+02 1.28 1.386263103e+02 1.386263103e+02 1.30 1.281182001e+02 1.281182001e+02 1.32 1.184352970e+02 1.184352970e+02 1.34 1.095028056e+02 1.095028056e+02 1.36 1.012559972e+02 1.012559972e+02 1.38 9.363536044e+01 9.363536044e+01 1.40 8.658442134e+01 8.658442134e+01 1.42 8.005529651e+01 8.005529651e+01 1.44 7.400772091e+01 7.400772091e+01 1.46 6.840296613e+01 6.840296613e+01 1.48 6.320479602e+01 6.320479602e+01 1.50 5.838151056e+01 5.838151056e+01 1.52 5.390474092e+01 5.390474092e+01 1.54 4.974746807e+01 4.974746807e+01 1.56 4.588526651e+01 4.588526651e+01 1.58 4.229657068e+01 4.229657068e+01 1.60 3.896230149e+01 3.896230149e+01 1.62 3.586295927e+01 3.586295927e+01 1.64 3.298259364e+01 3.298259364e+01 1.66 3.030595729e+01 3.030595729e+01 1.68 2.781885802e+01 2.781885802e+01 1.70 2.550778802e+01 2.550778802e+01 1.72 2.335910388e+01 2.335910388e+01 1.74 2.136367507e+01 2.136367507e+01 1.76 1.951101907e+01 1.951101907e+01 1.78 1.779080483e+01 1.779080483e+01 1.80 1.617826970e+01 1.617826970e+01 1.82 1.469630056e+01 1.469630056e+01 1.84 1.328416042e+01 1.328416042e+01 1.86 1.199540493e+01 1.199540493e+01 1.88 1.077378911e+01 1.077378911e+01 1.90 9.619885465e+00 9.619885465e+00 1.92 8.531429429e+00 8.531429429e+00 1.94 7.506679789e+00 7.506679789e+00 1.96 6.543825235e+00 6.543825235e+00 1.98 5.640579079e+00 5.640579079e+00 2.00 4.794832245e+00 4.794832245e+00 2.02 4.004324230e+00 4.004324230e+00 2.04 3.266762345e+00 3.266762345e+00 2.06 2.579672958e+00 2.579672958e+00 2.08 1.940666395e+00 1.940666395e+00 2.10 1.347533435e+00 1.347533435e+00 2.12 7.986563235e-01 7.986563235e-01 2.14 2.921718715e-01 2.921718715e-01 2.16 -1.747799962e-01 -1.747799962e-01 2.18 -6.042453798e-01 -6.042453798e-01 2.20 -9.981976762e-01 -9.981976762e-01 2.22 -1.358629135e+00 -1.358629135e+00 2.24 -1.687345451e+00 -1.687345451e+00 2.26 -1.986117329e+00 -1.986117329e+00 2.28 -2.256675452e+00 -2.256675452e+00 2.30 -2.500697329e+00 -2.500697329e+00 2.32 -2.719721832e+00 -2.719721832e+00 2.34 -2.915333644e+00 -2.915333644e+00 2.36 -3.088942504e+00 -3.088942504e+00 2.38 -3.241574318e+00 -3.241574318e+00 2.40 -3.374819259e+00 -3.374819259e+00 2.42 -3.490456326e+00 -3.490456326e+00 2.44 -3.589397919e+00 -3.589397919e+00 2.46 -3.672804103e+00 -3.672804103e+00 2.48 -3.741785600e+00 -3.741785600e+00 2.50 -3.797399598e+00 -3.797399598e+00 2.52 -3.841336516e+00 -3.841336516e+00 2.54 -3.874186458e+00 -3.874186458e+00 2.56 -3.896495853e+00 -3.896495853e+00 2.58 -3.909115723e+00 -3.909115723e+00 2.60 -3.912821092e+00 -3.912821092e+00 2.62 -3.908387786e+00 -3.908387786e+00 2.64 -3.896359857e+00 -3.896359857e+00 2.66 -3.877554885e+00 -3.877554885e+00 2.68 -3.852708566e+00 -3.852708566e+00 2.70 -3.822347918e+00 -3.822347918e+00 2.72 -3.787025724e+00 -3.787025724e+00 2.74 -3.747267710e+00 -3.747267710e+00 2.76 -3.702629535e+00 -3.702629535e+00 2.78 -3.654659407e+00 -3.654659407e+00 2.80 -3.603800913e+00 -3.603800913e+00 2.82 -3.550250995e+00 -3.550250995e+00 2.84 -3.494363576e+00 -3.494363576e+00 2.86 -3.436466126e+00 -3.436466126e+00 2.88 -3.376860698e+00 -3.376860698e+00 2.90 -3.315833336e+00 -3.315833336e+00 2.92 -3.253718013e+00 -3.253718013e+00 2.94 -3.190668659e+00 -3.190668659e+00 2.96 -3.127374613e+00 -3.127374613e+00 2.98 -3.062783465e+00 -3.062783465e+00 3.00 -2.997855395e+00 -2.997855395e+00 3.02 -2.932704517e+00 -2.932704517e+00 3.04 -2.867491942e+00 -2.867491942e+00 3.06 -2.802404666e+00 -2.802404666e+00 3.08 -2.737560709e+00 -2.737560709e+00 3.10 -2.673067273e+00 -2.673067273e+00 3.12 -2.609020511e+00 -2.609020511e+00 3.14 -2.545506343e+00 -2.545506343e+00 3.16 -2.482601257e+00 -2.482601257e+00 3.18 -2.420373058e+00 -2.420373058e+00 3.20 -2.358881586e+00 -2.358881586e+00 3.22 -2.298179361e+00 -2.298179361e+00 3.24 -2.238306172e+00 -2.238306172e+00 3.26 -2.179619224e+00 -2.179619224e+00 3.28 -2.121930000e+00 -2.121930000e+00 3.30 -2.065157744e+00 -2.065157744e+00 3.32 -2.009327659e+00 -2.009327659e+00 3.34 -1.954460173e+00 -1.954460173e+00 3.36 -1.900563363e+00 -1.900563363e+00 3.38 -1.847690808e+00 -1.847690808e+00 3.40 -1.795863531e+00 -1.795863531e+00 3.42 -1.744915381e+00 -1.744915381e+00 3.44 -1.694712863e+00 -1.694712863e+00 3.46 -1.645475297e+00 -1.645475297e+00 3.48 -1.597309068e+00 -1.597309068e+00 3.50 -1.550137975e+00 -1.550137975e+00 3.52 -1.503892751e+00 -1.503892751e+00 3.54 -1.458568678e+00 -1.458568678e+00 3.56 -1.414214186e+00 -1.414214186e+00 3.58 -1.370872157e+00 -1.370872157e+00 3.60 -1.328553209e+00 -1.328553209e+00 3.62 -1.287234195e+00 -1.287234195e+00 3.64 -1.246888778e+00 -1.246888778e+00 3.66 -1.207499453e+00 -1.207499453e+00 3.68 -1.169056008e+00 -1.169056008e+00 3.70 -1.131533192e+00 -1.131533192e+00 3.72 -1.094911538e+00 -1.094911538e+00 3.74 -1.059193451e+00 -1.059193451e+00 3.76 -1.024380304e+00 -1.024380304e+00 3.78 -9.904273538e-01 -9.904273538e-01 3.80 -9.571860310e-01 -9.571860310e-01 3.82 -9.247228093e-01 -9.247228093e-01 3.84 -8.931295001e-01 -8.931295001e-01 3.86 -8.624739895e-01 -8.624739895e-01 3.88 -8.328031811e-01 -8.328031811e-01 3.90 -8.040259556e-01 -8.040259556e-01 3.92 -7.761905779e-01 -7.761905779e-01 3.94 -7.493604579e-01 -7.493604579e-01 3.96 -7.233570556e-01 -7.233570556e-01 3.98 -6.980424785e-01 -6.980424785e-01 4.00 -6.733209080e-01 -6.733209080e-01 4.02 -6.491290460e-01 -6.491290460e-01 4.04 -6.255069418e-01 -6.255069418e-01 4.06 -6.024623685e-01 -6.024623685e-01 4.08 -5.797542439e-01 -5.797542439e-01 4.10 -5.572080971e-01 -5.572080971e-01 4.12 -5.346954075e-01 -5.346954075e-01 4.14 -5.121178770e-01 -5.121178770e-01 4.16 -4.896221022e-01 -4.896221022e-01 4.18 -4.680410531e-01 -4.680410531e-01 4.20 -4.466121469e-01 -4.466121469e-01 4.22 -4.254257666e-01 -4.254257666e-01 4.24 -4.045431311e-01 -4.045431311e-01 4.26 -3.840164283e-01 -3.840164283e-01 4.28 -3.638745687e-01 -3.638745687e-01 4.30 -3.440981889e-01 -3.440981889e-01 4.32 -3.247816269e-01 -3.247816269e-01 4.34 -3.060117786e-01 -3.060117786e-01 4.36 -2.878524753e-01 -2.878524753e-01 4.38 -2.703485786e-01 -2.703485786e-01 4.40 -2.535294302e-01 -2.535294302e-01 4.42 -2.374117550e-01 -2.374117550e-01 4.44 -2.220020878e-01 -2.220020878e-01 4.46 -2.072988102e-01 -2.072988102e-01 4.48 -1.932938536e-01 -1.932938536e-01 4.50 -1.799741120e-01 -1.799741120e-01 4.52 -1.673226121e-01 -1.673226121e-01 4.54 -1.553194839e-01 -1.553194839e-01 4.56 -1.439426400e-01 -1.439426400e-01 4.58 -1.331584820e-01 -1.331584820e-01 4.60 -1.232312373e-01 -1.232312373e-01 4.62 -1.141034249e-01 -1.141034249e-01 4.64 -1.054593369e-01 -1.054593369e-01 4.66 -9.728640527e-02 -9.728640527e-02 4.68 -8.956239317e-02 -8.956239317e-02 4.70 -8.226545152e-02 -8.226545152e-02 4.72 -7.537427687e-02 -7.537427687e-02 4.74 -6.886820170e-02 -6.886820170e-02 4.76 -6.272725978e-02 -6.272725978e-02 4.78 -5.693824967e-02 -5.693824967e-02 4.80 -5.148640677e-02 -5.148640677e-02 4.82 -4.784767148e-02 -4.784767148e-02 4.84 -4.445290895e-02 -4.445290895e-02 4.86 -4.124673409e-02 -4.124673409e-02 4.88 -3.821929754e-02 -3.821929754e-02 4.90 -3.536106642e-02 -3.536106642e-02 4.92 -3.266294110e-02 -3.266294110e-02 4.94 -3.011624977e-02 -3.011624977e-02 4.96 -2.771273975e-02 -2.771273975e-02 4.98 -2.544456666e-02 -2.544456666e-02 5.00 -2.330428199e-02 -2.330428199e-02 5.02 -2.128481979e-02 -2.128481979e-02 5.04 -1.937948241e-02 -1.937948241e-02 5.06 -1.758192521e-02 -1.758192521e-02 5.08 -1.588614159e-02 -1.588614159e-02 5.10 -1.428644778e-02 -1.428644778e-02 5.12 -1.277746801e-02 -1.277746801e-02 5.14 -1.135411956e-02 -1.135411956e-02 5.16 -1.001159825e-02 -1.001159825e-02 5.18 -8.745364376e-03 -8.745364376e-03 5.20 -7.551129141e-03 -7.551129141e-03 5.22 -6.424841639e-03 -6.424841639e-03 5.24 -5.362676092e-03 -5.362676092e-03 5.26 -4.361003656e-03 -4.361003656e-03 5.28 -3.417465205e-03 -3.417465205e-03 5.30 -2.551648219e-03 -2.551648219e-03 5.32 -2.244450929e-03 -2.244450929e-03 5.34 -1.972769312e-03 -1.972769312e-03 5.36 -1.721891229e-03 -1.721891229e-03 5.38 -1.486714588e-03 -1.486714588e-03 5.40 -1.266278472e-03 -1.266278472e-03 5.42 -1.059679461e-03 -1.059679461e-03 5.44 -8.660682411e-04 -8.660682411e-04 5.46 -6.846464362e-04 -6.846464362e-04 5.48 -5.146636256e-04 -5.146636256e-04 5.50 -3.554145389e-04 -3.554145389e-04 5.52 -2.062363745e-04 -2.062363745e-04 5.54 -6.561240402e-05 -6.561240402e-05 5.56 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00