# 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 = NiPt # 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 B1--NaCl--rock-s B1--NaCl--rock-s B2--CsCl B2--CsCl B3--ZnS--cubic-z B3--ZnS--cubic-z L1_0--AuCu L1_0--AuCu 0.50 nan nan nan nan nan nan nan nan 0.52 nan nan nan nan nan nan nan nan 0.54 nan nan nan nan nan nan nan nan 0.56 nan nan nan nan nan nan nan nan 0.58 nan nan nan nan nan nan nan nan 0.60 nan nan nan nan nan nan nan nan 0.62 nan nan nan nan nan nan nan nan 0.64 nan nan nan nan nan nan nan nan 0.66 nan nan nan nan nan nan nan nan 0.68 nan nan nan nan nan nan nan nan 0.70 nan nan nan nan nan nan nan nan 0.72 nan nan nan nan nan nan nan nan 0.74 nan nan nan nan 1.175596251e+03 1.175596251e+03 nan nan 0.76 nan nan nan nan 1.054756925e+03 1.054756925e+03 nan nan 0.78 nan nan nan nan 9.469848698e+02 9.469848698e+02 nan nan 0.80 nan nan nan nan 8.507154195e+02 8.507154195e+02 nan nan 0.82 nan nan nan nan 7.645932078e+02 7.645932078e+02 nan nan 0.84 nan nan nan nan 6.874530747e+02 6.874530747e+02 nan nan 0.86 1.037645860e+03 1.037645860e+03 nan nan 6.182963431e+02 6.182963431e+02 nan nan 0.88 9.376154833e+02 9.376154833e+02 nan nan 5.562439071e+02 5.562439071e+02 nan nan 0.90 8.474209705e+02 8.474209705e+02 nan nan 5.005263930e+02 5.005263930e+02 nan nan 0.92 7.660536965e+02 7.660536965e+02 nan nan 4.504730781e+02 4.504730781e+02 nan nan 0.94 6.926170797e+02 6.926170797e+02 nan nan 4.054855376e+02 4.054855376e+02 nan nan 0.96 6.263095181e+02 6.263095181e+02 8.834479926e+02 8.834479926e+02 3.650404392e+02 3.650404392e+02 9.368799670e+02 9.368799670e+02 0.98 5.664377167e+02 5.664377167e+02 8.029754382e+02 8.029754382e+02 3.286714778e+02 3.286714778e+02 8.532833663e+02 8.532833663e+02 1.00 5.123601675e+02 5.123601675e+02 7.300172292e+02 7.300172292e+02 2.959582168e+02 2.959582168e+02 7.774791275e+02 7.774791275e+02 1.02 4.635198746e+02 4.635198746e+02 6.638516119e+02 6.638516119e+02 2.665335760e+02 2.665335760e+02 7.087019613e+02 7.087019613e+02 1.04 4.194038246e+02 4.194038246e+02 6.038379984e+02 6.038379984e+02 2.400665698e+02 2.400665698e+02 6.462679698e+02 6.462679698e+02 1.06 3.795611441e+02 3.795611441e+02 5.493994930e+02 5.493994930e+02 2.162588706e+02 2.162588706e+02 5.895667022e+02 5.895667022e+02 1.08 3.435735646e+02 3.435735646e+02 5.000090766e+02 5.000090766e+02 1.948415408e+02 1.948415408e+02 5.380542219e+02 5.380542219e+02 1.10 3.110697335e+02 3.110697335e+02 4.552014841e+02 4.552014841e+02 1.755778438e+02 1.755778438e+02 4.912421151e+02 4.912421151e+02 1.12 2.817152799e+02 2.817152799e+02 4.145427123e+02 4.145427123e+02 1.582464142e+02 1.582464142e+02 4.486879794e+02 4.486879794e+02 1.14 2.552019770e+02 2.552019770e+02 3.776436653e+02 3.776436653e+02 1.426518432e+02 1.426518432e+02 4.099922265e+02 4.099922265e+02 1.16 2.312530449e+02 2.312530449e+02 3.441573794e+02 3.441573794e+02 1.286233730e+02 1.286233730e+02 3.747970529e+02 3.747970529e+02 1.18 2.096206133e+02 2.096206133e+02 3.137653747e+02 3.137653747e+02 1.160030738e+02 1.160030738e+02 3.427744763e+02 3.427744763e+02 1.20 1.900803823e+02 1.900803823e+02 2.861770916e+02 2.861770916e+02 1.046466678e+02 1.046466678e+02 3.136305435e+02 3.136305435e+02 1.22 1.724258243e+02 1.724258243e+02 2.611259186e+02 2.611259186e+02 9.442339292e+01 9.442339292e+01 2.870966272e+02 2.870966272e+02 1.24 1.564715556e+02 1.564715556e+02 2.383783800e+02 2.383783800e+02 8.522081650e+01 8.522081650e+01 2.629317627e+02 2.629317627e+02 1.26 1.420515203e+02 1.420515203e+02 2.177156142e+02 2.177156142e+02 7.693402829e+01 7.693402829e+01 2.409163326e+02 2.409163326e+02 1.28 1.290138425e+02 1.290138425e+02 1.989399372e+02 1.989399372e+02 6.946902629e+01 6.946902629e+01 2.208497992e+02 2.208497992e+02 1.30 1.172141336e+02 1.172141336e+02 1.818714516e+02 1.818714516e+02 6.273976559e+01 6.273976559e+01 2.025519432e+02 2.025519432e+02 1.32 1.065357645e+02 1.065357645e+02 1.663484771e+02 1.663484771e+02 5.667022585e+01 5.667022585e+01 1.858582702e+02 1.858582702e+02 1.34 9.686880010e+01 9.686880010e+01 1.522236012e+02 1.522236012e+02 5.119149109e+01 5.119149109e+01 1.706189563e+02 1.706189563e+02 1.36 8.811201754e+01 8.811201754e+01 1.393653377e+02 1.393653377e+02 4.624417264e+01 4.624417264e+01 1.566973084e+02 1.566973084e+02 1.38 8.017391648e+01 8.017391648e+01 1.276526111e+02 1.276526111e+02 4.177295893e+01 4.177295893e+01 1.439722988e+02 1.439722988e+02 1.40 7.297192738e+01 7.297192738e+01 1.169736584e+02 1.169736584e+02 3.772825793e+01 3.772825793e+01 1.323344417e+02 1.323344417e+02 1.42 6.643284957e+01 6.643284957e+01 1.072306838e+02 1.072306838e+02 3.406537116e+01 3.406537116e+01 1.216810636e+02 1.216810636e+02 1.44 6.049061885e+01 6.049061885e+01 9.833588052e+01 9.833588052e+01 3.074488264e+01 3.074488264e+01 1.119208410e+02 1.119208410e+02 1.46 5.508571322e+01 5.508571322e+01 9.020809262e+01 9.020809262e+01 2.773106027e+01 2.773106027e+01 1.029738324e+02 1.029738324e+02 1.48 5.016351981e+01 5.016351981e+01 8.277369507e+01 8.277369507e+01 2.499138064e+01 2.499138064e+01 9.476398800e+01 9.476398800e+01 1.50 4.567599835e+01 4.567599835e+01 7.596704833e+01 7.596704833e+01 2.250251144e+01 2.250251144e+01 8.722462199e+01 8.722462199e+01 1.52 4.158058634e+01 4.158058634e+01 6.972951520e+01 6.972951520e+01 2.024169075e+01 2.024169075e+01 8.029518730e+01 8.029518730e+01 1.54 3.783683638e+01 3.783683638e+01 6.400772153e+01 6.400772153e+01 1.819031867e+01 1.819031867e+01 7.392020897e+01 7.392020897e+01 1.56 3.441249009e+01 3.441249009e+01 5.875226077e+01 5.875226077e+01 1.632705835e+01 1.632705835e+01 6.804973938e+01 6.804973938e+01 1.58 3.127638706e+01 3.127638706e+01 5.391961772e+01 5.391961772e+01 1.463334375e+01 1.463334375e+01 6.263876912e+01 6.263876912e+01 1.60 2.840052301e+01 2.840052301e+01 4.947252460e+01 4.947252460e+01 1.309352086e+01 1.309352086e+01 5.764635716e+01 5.764635716e+01 1.62 2.575958339e+01 2.575958339e+01 4.537646387e+01 4.537646387e+01 1.169302101e+01 1.169302101e+01 5.303629098e+01 5.303629098e+01 1.64 2.333170820e+01 2.333170820e+01 4.159887550e+01 4.159887550e+01 1.041829432e+01 1.041829432e+01 4.877532400e+01 4.877532400e+01 1.66 2.109687364e+01 2.109687364e+01 3.811121273e+01 3.811121273e+01 9.206295720e+00 9.206295720e+00 4.483281694e+01 4.483281694e+01 1.68 1.904089056e+01 1.904089056e+01 3.488784842e+01 3.488784842e+01 8.099470277e+00 8.099470277e+00 4.118196403e+01 4.118196403e+01 1.70 1.714769532e+01 1.714769532e+01 3.190539302e+01 3.190539302e+01 7.057838586e+00 7.057838586e+00 3.779857914e+01 3.779857914e+01 1.72 1.540757892e+01 1.540757892e+01 2.914161794e+01 2.914161794e+01 6.077396001e+00 6.077396001e+00 3.465998404e+01 3.465998404e+01 1.74 1.380840178e+01 1.380840178e+01 2.657985719e+01 2.657985719e+01 5.157612836e+00 5.157612836e+00 3.174618738e+01 3.174618738e+01 1.76 1.233829390e+01 1.233829390e+01 2.420314205e+01 2.420314205e+01 4.296177492e+00 4.296177492e+00 2.903936488e+01 2.903936488e+01 1.78 1.098558120e+01 1.098558120e+01 2.199509244e+01 2.199509244e+01 3.490514708e+00 3.490514708e+00 2.652280007e+01 2.652280007e+01 1.80 9.696548870e+00 9.696548870e+00 1.994265120e+01 1.994265120e+01 2.738922352e+00 2.738922352e+00 2.418036315e+01 2.418036315e+01 1.82 8.512011252e+00 8.512011252e+00 1.803386574e+01 1.803386574e+01 2.039637650e+00 2.039637650e+00 2.199947302e+01 2.199947302e+01 1.84 7.392064882e+00 7.392064882e+00 1.626402627e+01 1.626402627e+01 1.390686927e+00 1.390686927e+00 1.996818788e+01 1.996818788e+01 1.86 6.335109139e+00 6.335109139e+00 1.462182052e+01 1.462182052e+01 7.901108393e-01 7.901108393e-01 1.807524724e+01 1.807524724e+01 1.88 5.339572576e+00 5.339572576e+00 1.309944347e+01 1.309944347e+01 2.372403136e-01 2.372403136e-01 1.631467821e+01 1.631467821e+01 1.90 4.403848141e+00 4.403848141e+00 1.165197641e+01 1.165197641e+01 -2.716076547e-01 -2.716076547e-01 1.467749571e+01 1.467749571e+01 1.92 3.526366981e+00 3.526366981e+00 1.032133272e+01 1.032133272e+01 -7.380323786e-01 -7.380323785e-01 1.312195500e+01 1.312195500e+01 1.94 2.705497183e+00 2.705497183e+00 9.061787573e+00 9.061787573e+00 -1.164319981e+00 -1.164319981e+00 1.169149410e+01 1.169149410e+01 1.96 1.939499350e+00 1.939499350e+00 7.871550456e+00 7.871550456e+00 -1.552288321e+00 -1.552288321e+00 1.033785410e+01 1.033785410e+01 1.98 1.225342295e+00 1.225342295e+00 6.748952966e+00 6.748952966e+00 -1.903865766e+00 -1.903865766e+00 9.060236264e+00 9.060236264e+00 2.00 5.627693931e-01 5.627693931e-01 5.692255465e+00 5.692255465e+00 -2.220981147e+00 -2.220981147e+00 7.856405187e+00 7.856405187e+00 2.02 -4.998483446e-02 -4.998483446e-02 4.699640810e+00 4.699640810e+00 -2.505554600e+00 -2.505554600e+00 6.724106702e+00 6.724106702e+00 2.04 -6.135774490e-01 -6.135774490e-01 3.769215428e+00 3.769215428e+00 -2.759488486e+00 -2.759488486e+00 5.660636124e+00 5.660636124e+00 2.06 -1.131633130e+00 -1.131633130e+00 2.898972323e+00 2.898972323e+00 -2.984425673e+00 -2.984425673e+00 4.664030723e+00 4.664030723e+00 2.08 -1.606073643e+00 -1.606073643e+00 2.086773030e+00 2.086773030e+00 -3.182099365e+00 -3.182099365e+00 3.731823940e+00 3.731823940e+00 2.10 -2.038841221e+00 -2.038841221e+00 1.330328605e+00 1.330328605e+00 -3.354995776e+00 -3.354995776e+00 2.861761356e+00 2.861761356e+00 2.12 -2.431619789e+00 -2.431619789e+00 6.273616415e-01 6.273616415e-01 -3.504789219e+00 -3.504789219e+00 2.051563375e+00 2.051563375e+00 2.14 -2.786402730e+00 -2.786402730e+00 -2.384684801e-02 -2.384684801e-02 -3.632991549e+00 -3.632991549e+00 1.298777017e+00 1.298777017e+00 2.16 -3.105744752e+00 -3.105744752e+00 -6.241005038e-01 -6.241005038e-01 -3.740855286e+00 -3.740855286e+00 6.009237269e-01 6.009237269e-01 2.18 -3.391965007e+00 -3.391965007e+00 -1.176592391e+00 -1.176592391e+00 -3.829942308e+00 -3.829942308e+00 -4.400389009e-02 -4.400389009e-02 2.20 -3.646408915e+00 -3.646408915e+00 -1.683773902e+00 -1.683773902e+00 -3.902025249e+00 -3.902025249e+00 -6.378442656e-01 -6.378442656e-01 2.22 -3.870820529e+00 -3.870820529e+00 -2.147747218e+00 -2.147747218e+00 -3.958531843e+00 -3.958531843e+00 -1.184093534e+00 -1.184093534e+00 2.24 -4.066653892e+00 -4.066653892e+00 -2.570594635e+00 -2.570594635e+00 -4.000814127e+00 -4.000814127e+00 -1.685095610e+00 -1.685095610e+00 2.26 -4.235889114e+00 -4.235889114e+00 -2.954371079e+00 -2.954371079e+00 -4.030147496e+00 -4.030147496e+00 -2.143060004e+00 -2.143060004e+00 2.28 -4.380489044e+00 -4.380489044e+00 -3.300761250e+00 -3.300761250e+00 -4.047730477e+00 -4.047730477e+00 -2.560180681e+00 -2.560180681e+00 2.30 -4.502131083e+00 -4.502131083e+00 -3.611963705e+00 -3.611963705e+00 -4.054776644e+00 -4.054776644e+00 -2.938710343e+00 -2.938710343e+00 2.32 -4.602442571e+00 -4.602442571e+00 -3.890091144e+00 -3.890091144e+00 -4.052503997e+00 -4.052503997e+00 -3.280620771e+00 -3.280620771e+00 2.34 -4.682996857e+00 -4.682996857e+00 -4.136953500e+00 -4.136953500e+00 -4.041608270e+00 -4.041608270e+00 -3.587910437e+00 -3.587910437e+00 2.36 -4.745312815e+00 -4.745312815e+00 -4.354398233e+00 -4.354398233e+00 -4.022991445e+00 -4.022991445e+00 -3.862538699e+00 -3.862538699e+00 2.38 -4.790721462e+00 -4.790721462e+00 -4.544125464e+00 -4.544125464e+00 -3.997497852e+00 -3.997497852e+00 -4.106441992e+00 -4.106441992e+00 2.40 -4.820913250e+00 -4.820913250e+00 -4.707563996e+00 -4.707563996e+00 -3.964945984e+00 -3.964945984e+00 -4.321501343e+00 -4.321501343e+00 2.42 -4.837236477e+00 -4.837236477e+00 -4.847185651e+00 -4.847185651e+00 -3.926915523e+00 -3.926915523e+00 -4.509711864e+00 -4.509711864e+00 2.44 -4.840694481e+00 -4.840694481e+00 -4.964257218e+00 -4.964257218e+00 -3.884188859e+00 -3.884188859e+00 -4.672235590e+00 -4.672235590e+00 2.46 -4.832488854e+00 -4.832488854e+00 -5.060334907e+00 -5.060334907e+00 -3.837349965e+00 -3.837349965e+00 -4.811295708e+00 -4.811295708e+00 2.48 -4.813758055e+00 -4.813758055e+00 -5.136923886e+00 -5.136923886e+00 -3.786926229e+00 -3.786926229e+00 -4.928415272e+00 -4.928415272e+00 2.50 -4.785571347e+00 -4.785571347e+00 -5.195465046e+00 -5.195465046e+00 -3.732900594e+00 -3.732900594e+00 -5.025074458e+00 -5.025074458e+00 2.52 -4.748929574e+00 -4.748929574e+00 -5.238228863e+00 -5.238228863e+00 -3.676003996e+00 -3.676003996e+00 -5.102757036e+00 -5.102757036e+00 2.54 -4.704766377e+00 -4.704766377e+00 -5.265832220e+00 -5.265832220e+00 -3.617360298e+00 -3.617360298e+00 -5.162881369e+00 -5.162881369e+00 2.56 -4.653949792e+00 -4.653949792e+00 -5.279176997e+00 -5.279176997e+00 -3.556855207e+00 -3.556855207e+00 -5.206847678e+00 -5.206847678e+00 2.58 -4.597282619e+00 -4.597282619e+00 -5.279667382e+00 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