# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1989--Adams-J-B-Foiles-S-M-Wolfer-W-G--Ag-Au-Cu-Ni-Pd-Pt # implementation = 1989--Adams-J-B--Ag-Au-Cu-Ni-Pd-Pt--LAMMPS--ipr1 # composition = AgNi # 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 nan nan nan nan 0.76 nan nan nan nan 4.327422665e+02 4.327422665e+02 nan nan 0.78 nan nan nan nan 3.884549519e+02 3.884549519e+02 nan nan 0.80 nan nan nan nan 3.494267475e+02 3.494267475e+02 nan nan 0.82 nan nan nan nan 3.149503273e+02 3.149503273e+02 nan nan 0.84 nan nan nan nan 2.844239803e+02 2.844239803e+02 nan nan 0.86 nan nan nan nan 2.573432000e+02 2.573432000e+02 nan nan 0.88 3.948597823e+02 3.948597823e+02 nan nan 2.332736144e+02 2.332736144e+02 nan nan 0.90 3.610049617e+02 3.610049617e+02 nan nan 2.118344312e+02 2.118344312e+02 nan nan 0.92 3.305736779e+02 3.305736779e+02 nan nan 1.927018571e+02 1.927018571e+02 nan nan 0.94 3.031440892e+02 3.031440892e+02 nan nan 1.755911518e+02 1.755911518e+02 nan nan 0.96 2.783432353e+02 2.783432353e+02 nan nan 1.602596576e+02 1.602596576e+02 nan nan 0.98 2.558691710e+02 2.558691710e+02 nan nan 1.464937498e+02 1.464937498e+02 3.778686960e+02 3.778686960e+02 1.00 2.354544509e+02 2.354544509e+02 3.280073321e+02 3.280073321e+02 1.341062978e+02 1.341062978e+02 3.495905597e+02 3.495905597e+02 1.02 2.168707840e+02 2.168707840e+02 3.036207434e+02 3.036207434e+02 1.229420990e+02 1.229420990e+02 3.238413348e+02 3.238413348e+02 1.04 1.999123994e+02 1.999123994e+02 2.813322046e+02 2.813322046e+02 1.128586624e+02 1.128586624e+02 3.003233605e+02 3.003233605e+02 1.06 1.844051104e+02 1.844051104e+02 2.609083227e+02 2.609083227e+02 1.037331675e+02 1.037331675e+02 2.787798298e+02 2.787798298e+02 1.08 1.701989247e+02 1.701989247e+02 2.421445053e+02 2.421445053e+02 9.545831901e+01 9.545831901e+01 2.589923869e+02 2.589923869e+02 1.10 1.571619336e+02 1.571619336e+02 2.248584016e+02 2.248584016e+02 8.793676071e+01 8.793676071e+01 2.407733924e+02 2.407733924e+02 1.12 1.451783602e+02 1.451783602e+02 2.089004029e+02 2.089004029e+02 8.108640865e+01 8.108640865e+01 2.239595072e+02 2.239595072e+02 1.14 1.341471537e+02 1.341471537e+02 1.941393707e+02 1.941393707e+02 7.483552719e+01 7.483552719e+01 2.084072164e+02 2.084072164e+02 1.16 1.239788438e+02 1.239788438e+02 1.804631745e+02 1.804631745e+02 6.912478895e+01 6.912478895e+01 1.939942167e+02 1.939942167e+02 1.18 1.145935849e+02 1.145935849e+02 1.677661741e+02 1.677661741e+02 6.389654864e+01 6.389654864e+01 1.806152361e+02 1.806152361e+02 1.20 1.059242229e+02 1.059242229e+02 1.559665093e+02 1.559665093e+02 5.910325826e+01 5.910325826e+01 1.681770954e+02 1.681770954e+02 1.22 9.790840686e+01 9.790840686e+01 1.449871864e+02 1.449871864e+02 5.470117196e+01 5.470117196e+01 1.565942229e+02 1.565942229e+02 1.24 9.049146623e+01 9.049146623e+01 1.347611636e+02 1.347611636e+02 5.065340062e+01 5.065340062e+01 1.457982362e+02 1.457982362e+02 1.26 8.362378676e+01 8.362378676e+01 1.252263036e+02 1.252263036e+02 4.692587622e+01 4.692587622e+01 1.357258204e+02 1.357258204e+02 1.28 7.726103455e+01 7.726103455e+01 1.163269919e+02 1.163269919e+02 4.348810665e+01 4.348810665e+01 1.263198792e+02 1.263198792e+02 1.30 7.135792857e+01 7.135792857e+01 1.080187880e+02 1.080187880e+02 4.031395262e+01 4.031395262e+01 1.175272089e+02 1.175272089e+02 1.32 6.588365698e+01 6.588365698e+01 1.002593807e+02 1.002593807e+02 3.738016293e+01 3.738016293e+01 1.093053366e+02 1.093053366e+02 1.34 6.080546164e+01 6.080546164e+01 9.300905739e+01 9.300905739e+01 3.466499657e+01 3.466499657e+01 1.016138470e+02 1.016138470e+02 1.36 5.609313012e+01 5.609313012e+01 8.623446857e+01 8.623446857e+01 3.215184340e+01 3.215184340e+01 9.441542507e+01 9.441542507e+01 1.38 5.172138522e+01 5.172138522e+01 7.990452104e+01 7.990452104e+01 2.982420438e+01 2.982420438e+01 8.767856017e+01 8.767856017e+01 1.40 4.766498591e+01 4.766498591e+01 7.398778982e+01 7.398778982e+01 2.766710285e+01 2.766710285e+01 8.137347480e+01 8.137347480e+01 1.42 4.390183017e+01 4.390183017e+01 6.845665308e+01 6.845665308e+01 2.566556760e+01 2.566556760e+01 7.547241430e+01 7.547241430e+01 1.44 4.041142570e+01 4.041142570e+01 6.329004522e+01 6.329004522e+01 2.380870404e+01 2.380870404e+01 6.995058431e+01 6.995058431e+01 1.46 3.717335765e+01 3.717335765e+01 5.846607498e+01 5.846607498e+01 2.208604214e+01 2.208604214e+01 6.478442107e+01 6.478442107e+01 1.48 3.417082042e+01 3.417082042e+01 5.396263137e+01 5.396263137e+01 2.048670825e+01 2.048670825e+01 5.995256015e+01 5.995256015e+01 1.50 3.138774032e+01 3.138774032e+01 4.976062469e+01 4.976062469e+01 1.896922168e+01 1.896922168e+01 5.543454059e+01 5.543454059e+01 1.52 2.880934001e+01 2.880934001e+01 4.584244532e+01 4.584244532e+01 1.758944558e+01 1.758944558e+01 5.121270318e+01 5.121270318e+01 1.54 2.641980812e+01 2.641980812e+01 4.219051688e+01 4.219051688e+01 1.630583961e+01 1.630583961e+01 4.726952427e+01 4.726952427e+01 1.56 2.420839738e+01 2.420839738e+01 3.878906670e+01 3.878906670e+01 1.511185617e+01 1.511185617e+01 4.358726148e+01 4.358726148e+01 1.58 2.216338211e+01 2.216338211e+01 3.562291399e+01 3.562291399e+01 1.400115875e+01 1.400115875e+01 4.015072332e+01 4.015072332e+01 1.60 2.027342342e+01 2.027342342e+01 3.267777773e+01 3.267777773e+01 1.292356866e+01 1.292356866e+01 3.694683763e+01 3.694683763e+01 1.62 1.852566971e+01 1.852566971e+01 2.993751125e+01 2.993751125e+01 1.192420331e+01 1.192420331e+01 3.396115553e+01 3.396115553e+01 1.64 1.691289651e+01 1.691289651e+01 2.739196460e+01 2.739196460e+01 1.096273618e+01 1.096273618e+01 3.118123152e+01 3.118123152e+01 1.66 1.542589179e+01 1.542589179e+01 2.502969829e+01 2.502969829e+01 1.004093249e+01 1.004093249e+01 2.859424064e+01 2.859424064e+01 1.68 1.405590300e+01 1.405590300e+01 2.283955804e+01 2.283955804e+01 9.159875141e+00 9.159875141e+00 2.618886360e+01 2.618886360e+01 1.70 1.276115312e+01 1.276115312e+01 2.081047065e+01 2.081047065e+01 8.319800648e+00 8.319800648e+00 2.395472059e+01 2.395472059e+01 1.72 1.159745111e+01 1.159745111e+01 1.893068030e+01 1.893068030e+01 7.519500655e+00 7.519500655e+00 2.188138794e+01 2.188138794e+01 1.74 1.052615547e+01 1.052615547e+01 1.719298969e+01 1.719298969e+01 6.760819587e+00 6.760819587e+00 1.995902140e+01 1.995902140e+01 1.76 9.495909031e+00 9.495909031e+00 1.558832156e+01 1.558832156e+01 6.043195873e+00 6.043195873e+00 1.817824012e+01 1.817824012e+01 1.78 8.557271657e+00 8.557271657e+00 1.410811552e+01 1.410811552e+01 5.365843384e+00 5.365843384e+00 1.652931136e+01 1.652931136e+01 1.80 7.668401404e+00 7.668401404e+00 1.274429504e+01 1.274429504e+01 4.727788822e+00 4.727788822e+00 1.500381435e+01 1.500381435e+01 1.82 6.828454496e+00 6.828454496e+00 1.148924194e+01 1.148924194e+01 4.127909689e+00 4.127909689e+00 1.359480437e+01 1.359480437e+01 1.84 6.036366822e+00 6.036366822e+00 1.030253969e+01 1.030253969e+01 3.565627820e+00 3.565627820e+00 1.229509859e+01 1.229509859e+01 1.86 5.290707326e+00 5.290707326e+00 9.240976959e+00 9.240976959e+00 3.039640512e+00 3.039640512e+00 1.109715186e+01 1.109715186e+01 1.88 4.590137998e+00 4.590137998e+00 8.220770582e+00 8.220770582e+00 2.547575624e+00 2.547575624e+00 9.961712669e+00 9.961712669e+00 1.90 3.933329311e+00 3.933329311e+00 7.298041327e+00 7.298041327e+00 2.088138694e+00 2.088138694e+00 8.906791633e+00 8.906791633e+00 1.92 3.318660614e+00 3.318660614e+00 6.428356298e+00 6.428356298e+00 1.659480399e+00 1.659480399e+00 7.954758172e+00 7.954758172e+00 1.94 2.744451914e+00 2.744451914e+00 5.610479411e+00 5.610479411e+00 1.260430542e+00 1.260430542e+00 7.057300426e+00 7.057300426e+00 1.96 2.208956060e+00 2.208956060e+00 4.843121312e+00 4.843121312e+00 8.898378991e-01 8.898378991e-01 6.212338059e+00 6.212338059e+00 1.98 1.708901867e+00 1.708901867e+00 4.124094105e+00 4.124094105e+00 5.462529226e-01 5.462529226e-01 5.418468452e+00 5.418468452e+00 2.00 1.244373557e+00 1.244373557e+00 3.451657704e+00 3.451657704e+00 2.283305955e-01 2.283305955e-01 4.673704323e+00 4.673704323e+00 2.02 8.139821975e-01 8.139821975e-01 2.823827489e+00 2.823827489e+00 -6.529166352e-02 -6.529166352e-02 3.976034451e+00 3.976034451e+00 2.04 4.166409770e-01 4.166409770e-01 2.238591744e+00 2.238591744e+00 -3.359344247e-01 -3.359344247e-01 3.323370374e+00 3.323370374e+00 2.06 4.943357471e-02 4.943357471e-02 1.693953113e+00 1.693953113e+00 -5.847362573e-01 -5.847362573e-01 2.713671815e+00 2.713671815e+00 2.08 -2.892454144e-01 -2.892454144e-01 1.187914292e+00 1.187914292e+00 -8.126769772e-01 -8.126769772e-01 2.144666087e+00 2.144666087e+00 2.10 -6.009556414e-01 -6.009556414e-01 7.182352023e-01 7.182352023e-01 -1.021688719e+00 -1.021688719e+00 1.614248682e+00 1.614248682e+00 2.12 -8.872063799e-01 -8.872063799e-01 2.834179982e-01 2.834179982e-01 -1.212575182e+00 -1.212575182e+00 1.121113827e+00 1.121113827e+00 2.14 -1.149457008e+00 -1.149457008e+00 -1.183867486e-01 -1.183867486e-01 -1.386425322e+00 -1.386425322e+00 6.632958501e-01 6.632958501e-01 2.16 -1.389925767e+00 -1.389925767e+00 -4.890351304e-01 -4.890351304e-01 -1.544276884e+00 -1.544276884e+00 2.391145388e-01 2.391145388e-01 2.18 -1.609383468e+00 -1.609383468e+00 -8.289784243e-01 -8.289784243e-01 -1.687119538e+00 -1.687119538e+00 -1.532141839e-01 -1.532141839e-01 2.20 -1.808593417e+00 -1.808593417e+00 -1.141262844e+00 -1.141262844e+00 -1.815895748e+00 -1.815895748e+00 -5.148210775e-01 -5.148210775e-01 2.22 -1.988970552e+00 -1.988970552e+00 -1.427593132e+00 -1.427593132e+00 -1.931570038e+00 -1.931570038e+00 -8.474187520e-01 -8.474187520e-01 2.24 -2.151691883e+00 -2.151691883e+00 -1.689355246e+00 -1.689355246e+00 -2.034881932e+00 -2.034881932e+00 -1.153641727e+00 -1.153641727e+00 2.26 -2.297685278e+00 -2.297685278e+00 -1.927940231e+00 -1.927940231e+00 -2.126634852e+00 -2.126634852e+00 -1.434693168e+00 -1.434693168e+00 2.28 -2.428013447e+00 -2.428013447e+00 -2.144733512e+00 -2.144733512e+00 -2.207636563e+00 -2.207636563e+00 -1.691948203e+00 -1.691948203e+00 2.30 -2.543973698e+00 -2.543973698e+00 -2.341056787e+00 -2.341056787e+00 -2.278609612e+00 -2.278609612e+00 -1.926789720e+00 -1.926789720e+00 2.32 -2.646451963e+00 -2.646451963e+00 -2.518169080e+00 -2.518169080e+00 -2.340236696e+00 -2.340236696e+00 -2.140609265e+00 -2.140609265e+00 2.34 -2.736349468e+00 -2.736349468e+00 -2.677267936e+00 -2.677267936e+00 -2.393162442e+00 -2.393162442e+00 -2.334707220e+00 -2.334707220e+00 2.36 -2.814518835e+00 -2.814518835e+00 -2.819309688e+00 -2.819309688e+00 -2.437995021e+00 -2.437995021e+00 -2.510150464e+00 -2.510150464e+00 2.38 -2.881765972e+00 -2.881765972e+00 -2.945563317e+00 -2.945563317e+00 -2.475307766e+00 -2.475307766e+00 -2.668083690e+00 -2.668083690e+00 2.40 -2.938854193e+00 -2.938854193e+00 -3.057071668e+00 -3.057071668e+00 -2.505640105e+00 -2.505640105e+00 -2.809493335e+00 -2.809493335e+00 2.42 -2.986771297e+00 -2.986771297e+00 -3.154927785e+00 -3.154927785e+00 -2.529579156e+00 -2.529579156e+00 -2.935887270e+00 -2.935887270e+00 2.44 -3.025896680e+00 -3.025896680e+00 -3.239645717e+00 -3.239645717e+00 -2.546667771e+00 -2.546667771e+00 -3.047870863e+00 -3.047870863e+00 2.46 -3.056784832e+00 -3.056784832e+00 -3.312379340e+00 -3.312379340e+00 -2.558025893e+00 -2.558025893e+00 -3.145981494e+00 -3.145981494e+00 2.48 -3.080127285e+00 -3.080127285e+00 -3.373945698e+00 -3.373945698e+00 -2.564320995e+00 -2.564320995e+00 -3.231342844e+00 -3.231342844e+00 2.50 -3.096664817e+00 -3.096664817e+00 -3.425118018e+00 -3.425118018e+00 -2.565944697e+00 -2.565944697e+00 -3.304966711e+00 -3.304966711e+00 2.52 -3.106761348e+00 -3.106761348e+00 -3.467341128e+00 -3.467341128e+00 -2.563709967e+00 -2.563709967e+00 -3.367637485e+00 -3.367637485e+00 2.54 -3.110905171e+00 -3.110905171e+00 -3.500877130e+00 -3.500877130e+00 -2.557707369e+00 -2.557707369e+00 -3.420097109e+00 -3.420097109e+00 2.56 -3.109569010e+00 -3.109569010e+00 -3.526004842e+00 -3.526004842e+00 -2.548030122e+00 -2.548030122e+00 -3.463045817e+00 -3.463045817e+00 2.58 -3.103196433e+00 -3.103196433e+00 -3.543344320e+00 -3.543344320e+00 -2.534984642e+00 -2.534984642e+00 -3.497198458e+00 -3.497198458e+00 2.60 -3.092203413e+00 -3.092203413e+00 -3.553479847e+00 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