# 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 = Ag2AuCu # 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 4.957847464e+02 4.957847464e+02 1.00 4.545285799e+02 4.545285799e+02 1.02 4.172937313e+02 4.172937313e+02 1.04 3.836337646e+02 3.836337646e+02 1.06 3.531542382e+02 3.531542382e+02 1.08 3.255065685e+02 3.255065685e+02 1.10 3.003874850e+02 3.003874850e+02 1.12 2.775248824e+02 2.775248824e+02 1.14 2.566779734e+02 2.566779734e+02 1.16 2.376392000e+02 2.376392000e+02 1.18 2.202230725e+02 2.202230725e+02 1.20 2.042663582e+02 2.042663582e+02 1.22 1.896198642e+02 1.896198642e+02 1.24 1.761571671e+02 1.761571671e+02 1.26 1.637619382e+02 1.637619382e+02 1.28 1.523322651e+02 1.523322651e+02 1.30 1.417776229e+02 1.417776229e+02 1.32 1.320163866e+02 1.320163866e+02 1.34 1.229765401e+02 1.229765401e+02 1.36 1.145931642e+02 1.145931642e+02 1.38 1.068090316e+02 1.068090316e+02 1.40 9.957414660e+01 9.957414660e+01 1.42 9.284236439e+01 9.284236439e+01 1.44 8.657259152e+01 8.657259152e+01 1.46 8.072548765e+01 8.072548765e+01 1.48 7.526772953e+01 7.526772953e+01 1.50 7.017110469e+01 7.017110469e+01 1.52 6.540824780e+01 6.540824780e+01 1.54 6.095373603e+01 6.095373603e+01 1.56 5.678601974e+01 5.678601974e+01 1.58 5.288463808e+01 5.288463808e+01 1.60 4.923095367e+01 4.923095367e+01 1.62 4.580729160e+01 4.580729160e+01 1.64 4.259814672e+01 4.259814672e+01 1.66 3.958893504e+01 3.958893504e+01 1.68 3.676685617e+01 3.676685617e+01 1.70 3.412065680e+01 3.412065680e+01 1.72 3.163896262e+01 3.163896262e+01 1.74 2.931152811e+01 2.931152811e+01 1.76 2.712813382e+01 2.712813382e+01 1.78 2.507993836e+01 2.507993836e+01 1.80 2.315923703e+01 2.315923703e+01 1.82 2.135826140e+01 2.135826140e+01 1.84 1.966976435e+01 1.966976435e+01 1.86 1.805351045e+01 1.805351045e+01 1.88 1.656679553e+01 1.656679553e+01 1.90 1.515468404e+01 1.515468404e+01 1.92 1.383620114e+01 1.383620114e+01 1.94 1.259269044e+01 1.259269044e+01 1.96 1.142023151e+01 1.142023151e+01 1.98 1.031455821e+01 1.031455821e+01 2.00 9.273168252e+00 9.273168252e+00 2.02 8.293485566e+00 8.293485566e+00 2.04 7.372671619e+00 7.372671619e+00 2.06 6.508023398e+00 6.508023398e+00 2.08 5.696958273e+00 5.696958273e+00 2.10 4.937002141e+00 4.937002141e+00 2.12 4.225779938e+00 4.225779938e+00 2.14 3.561011498e+00 3.561011498e+00 2.16 2.940144150e+00 2.940144150e+00 2.18 2.361275246e+00 2.361275246e+00 2.20 1.822573264e+00 1.822573264e+00 2.22 1.321851623e+00 1.321851623e+00 2.24 8.573628298e-01 8.573628298e-01 2.26 4.273477220e-01 4.273477220e-01 2.28 3.003324760e-02 3.003324760e-02 2.30 -3.362878435e-01 -3.362878435e-01 2.32 -6.732560430e-01 -6.732560430e-01 2.34 -9.817184748e-01 -9.817184748e-01 2.36 -1.263858843e+00 -1.263858843e+00 2.38 -1.521310550e+00 -1.521310550e+00 2.40 -1.755466001e+00 -1.755466001e+00 2.42 -1.967728070e+00 -1.967728070e+00 2.44 -2.159326890e+00 -2.159326890e+00 2.46 -2.331385617e+00 -2.331385617e+00 2.48 -2.485210561e+00 -2.485210561e+00 2.50 -2.622027083e+00 -2.622027083e+00 2.52 -2.742831357e+00 -2.742831357e+00 2.54 -2.848666140e+00 -2.848666140e+00 2.56 -2.940408062e+00 -2.940408062e+00 2.58 -3.018883719e+00 -3.018883719e+00 2.60 -3.085862740e+00 -3.085862740e+00 2.62 -3.141728064e+00 -3.141728064e+00 2.64 -3.187089394e+00 -3.187089394e+00 2.66 -3.222689685e+00 -3.222689685e+00 2.68 -3.249329968e+00 -3.249329968e+00 2.70 -3.267704185e+00 -3.267704185e+00 2.72 -3.278377692e+00 -3.278377692e+00 2.74 -3.282040144e+00 -3.282040144e+00 2.76 -3.279293672e+00 -3.279293672e+00 2.78 -3.270713987e+00 -3.270713987e+00 2.80 -3.256864459e+00 -3.256864459e+00 2.82 -3.238141065e+00 -3.238141065e+00 2.84 -3.214996115e+00 -3.214996115e+00 2.86 -3.187852381e+00 -3.187852381e+00 2.88 -3.157107123e+00 -3.157107123e+00 2.90 -3.122862605e+00 -3.122862605e+00 2.92 -3.085537062e+00 -3.085537062e+00 2.94 -3.045676500e+00 -3.045676500e+00 2.96 -3.003554772e+00 -3.003554772e+00 2.98 -2.959445270e+00 -2.959445270e+00 3.00 -2.913601408e+00 -2.913601408e+00 3.02 -2.866258910e+00 -2.866258910e+00 3.04 -2.817805939e+00 -2.817805939e+00 3.06 -2.768499279e+00 -2.768499279e+00 3.08 -2.718210221e+00 -2.718210221e+00 3.10 -2.666891212e+00 -2.666891212e+00 3.12 -2.614854110e+00 -2.614854110e+00 3.14 -2.562402307e+00 -2.562402307e+00 3.16 -2.509668944e+00 -2.509668944e+00 3.18 -2.456773690e+00 -2.456773690e+00 3.20 -2.403826398e+00 -2.403826398e+00 3.22 -2.350927114e+00 -2.350927114e+00 3.24 -2.298166998e+00 -2.298166998e+00 3.26 -2.245628945e+00 -2.245628945e+00 3.28 -2.193388101e+00 -2.193388101e+00 3.30 -2.141512427e+00 -2.141512427e+00 3.32 -2.090063346e+00 -2.090063346e+00 3.34 -2.039096264e+00 -2.039096264e+00 3.36 -1.988660503e+00 -1.988660503e+00 3.38 -1.938799183e+00 -1.938799183e+00 3.40 -1.889576077e+00 -1.889576077e+00 3.42 -1.841292633e+00 -1.841292633e+00 3.44 -1.793644575e+00 -1.793644575e+00 3.46 -1.746626738e+00 -1.746626738e+00 3.48 -1.700193087e+00 -1.700193087e+00 3.50 -1.654401736e+00 -1.654401736e+00 3.52 -1.609383033e+00 -1.609383033e+00 3.54 -1.565162064e+00 -1.565162064e+00 3.56 -1.521732310e+00 -1.521732310e+00 3.58 -1.479101911e+00 -1.479101911e+00 3.60 -1.437277322e+00 -1.437277322e+00 3.62 -1.396267081e+00 -1.396267081e+00 3.64 -1.356078690e+00 -1.356078690e+00 3.66 -1.316718655e+00 -1.316718655e+00 3.68 -1.278168944e+00 -1.278168944e+00 3.70 -1.240402602e+00 -1.240402602e+00 3.72 -1.203411232e+00 -1.203411232e+00 3.74 -1.167205565e+00 -1.167205565e+00 3.76 -1.131794641e+00 -1.131794641e+00 3.78 -1.097176442e+00 -1.097176442e+00 3.80 -1.063346063e+00 -1.063346063e+00 3.82 -1.030286921e+00 -1.030286921e+00 3.84 -9.979908741e-01 -9.979908741e-01 3.86 -9.664358080e-01 -9.664358080e-01 3.88 -9.356346941e-01 -9.356346941e-01 3.90 -9.055448418e-01 -9.055448418e-01 3.92 -8.761266052e-01 -8.761266052e-01 3.94 -8.474185771e-01 -8.474185771e-01 3.96 -8.192841031e-01 -8.192841031e-01 3.98 -7.917846695e-01 -7.917846695e-01 4.00 -7.650817742e-01 -7.650817742e-01 4.02 -7.392999394e-01 -7.392999394e-01 4.04 -7.145895189e-01 -7.145895189e-01 4.06 -6.909457435e-01 -6.909457435e-01 4.08 -6.682612115e-01 -6.682612115e-01 4.10 -6.465138544e-01 -6.465138544e-01 4.12 -6.256421718e-01 -6.256421718e-01 4.14 -6.052640426e-01 -6.052640426e-01 4.16 -5.850925506e-01 -5.850925506e-01 4.18 -5.649280883e-01 -5.649280883e-01 4.20 -5.446403105e-01 -5.446403105e-01 4.22 -5.241531889e-01 -5.241531889e-01 4.24 -5.034230902e-01 -5.034230902e-01 4.26 -4.824222732e-01 -4.824222732e-01 4.28 -4.611797278e-01 -4.611797278e-01 4.30 -4.404940846e-01 -4.404940846e-01 4.32 -4.200762982e-01 -4.200762982e-01 4.34 -3.996458415e-01 -3.996458415e-01 4.36 -3.792792084e-01 -3.792792084e-01 4.38 -3.591599314e-01 -3.591599314e-01 4.40 -3.394332991e-01 -3.394332991e-01 4.42 -3.202105352e-01 -3.202105352e-01 4.44 -3.015747113e-01 -3.015747113e-01 4.46 -2.835857327e-01 -2.835857327e-01 4.48 -2.662845409e-01 -2.662845409e-01 4.50 -2.496966364e-01 -2.496966364e-01 4.52 -2.338350373e-01 -2.338350373e-01 4.54 -2.187027523e-01 -2.187027523e-01 4.56 -2.042948463e-01 -2.042948463e-01 4.58 -1.906001574e-01 -1.906001574e-01 4.60 -1.776027177e-01 -1.776027177e-01 4.62 -1.652829300e-01 -1.652829300e-01 4.64 -1.536185341e-01 -1.536185341e-01 4.66 -1.425854019e-01 -1.425854019e-01 4.68 -1.321581796e-01 -1.321581796e-01 4.70 -1.223108091e-01 -1.223108091e-01 4.72 -1.130169466e-01 -1.130169466e-01 4.74 -1.042502960e-01 -1.042502960e-01 4.76 -9.598487194e-02 -9.598487194e-02 4.78 -8.819520002e-02 -8.819520002e-02 4.80 -8.084722976e-02 -8.084722976e-02 4.82 -7.419931663e-02 -7.419931663e-02 4.84 -6.804229575e-02 -6.804229575e-02 4.86 -6.223931463e-02 -6.223931463e-02 4.88 -5.677104484e-02 -5.677104484e-02 4.90 -5.161901465e-02 -5.161901465e-02 4.92 -4.676518243e-02 -4.676518243e-02 4.94 -4.214210338e-02 -4.214210338e-02 4.96 -3.851738729e-02 -3.851738729e-02 4.98 -3.581540042e-02 -3.581540042e-02 5.00 -3.322628078e-02 -3.322628078e-02 5.02 -3.079041827e-02 -3.079041827e-02 5.04 -2.849926059e-02 -2.849926059e-02 5.06 -2.634437659e-02 -2.634437659e-02 5.08 -2.431781318e-02 -2.431781318e-02 5.10 -2.241207000e-02 -2.241207000e-02 5.12 -2.062007522e-02 -2.062007522e-02 5.14 -1.893516212e-02 -1.893516212e-02 5.16 -1.735104670e-02 -1.735104670e-02 5.18 -1.586180646e-02 -1.586180646e-02 5.20 -1.446186033e-02 -1.446186033e-02 5.22 -1.314594965e-02 -1.314594965e-02 5.24 -1.190911977e-02 -1.190911977e-02 5.26 -1.074670294e-02 -1.074670294e-02 5.28 -9.654301923e-03 -9.654301923e-03 5.30 -8.627774765e-03 -8.627774765e-03 5.32 -7.663220214e-03 -7.663220214e-03 5.34 -6.756963861e-03 -6.756963861e-03 5.36 -5.905545159e-03 -5.905545159e-03 5.38 -5.105705189e-03 -5.105705189e-03 5.40 -4.354375181e-03 -4.354375181e-03 5.42 -3.648665527e-03 -3.648665527e-03 5.44 -2.985855442e-03 -2.985855442e-03 5.46 -2.363383259e-03 -2.363383259e-03 5.48 -1.778837319e-03 -1.778837319e-03 5.50 -1.229947368e-03 -1.229947368e-03 5.52 -7.145763375e-04 -7.145763375e-04 5.54 -2.276076118e-04 -2.276076118e-04 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