# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2009--Wu-H-H-Trinkle-D-R--Cu-Ag # implementation = 2009--Wu-H-H--Cu-Ag--LAMMPS--ipr1 # composition = AgCu # 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 nan nan nan nan 0.78 nan nan nan nan nan nan nan nan 0.80 nan nan nan nan nan nan nan nan 0.82 nan nan nan nan 6.074513688e+01 6.074513688e+01 nan nan 0.84 nan nan nan nan 5.486353515e+01 5.486353515e+01 nan nan 0.86 nan nan nan nan 4.988357197e+01 4.988357197e+01 nan nan 0.88 nan nan nan nan 4.557593270e+01 4.557593270e+01 nan nan 0.90 nan nan nan nan 4.177857651e+01 4.177857651e+01 nan nan 0.92 6.847316715e+01 6.847316715e+01 nan nan 3.840391112e+01 3.840391112e+01 nan nan 0.94 6.179631686e+01 6.179631686e+01 nan nan 3.539058122e+01 3.539058122e+01 nan nan 0.96 5.612667118e+01 5.612667118e+01 nan nan 3.268144674e+01 3.268144674e+01 nan nan 0.98 5.127504459e+01 5.127504459e+01 nan nan 3.022723115e+01 3.022723115e+01 nan nan 1.00 4.707005229e+01 4.707005229e+01 nan nan 2.798215974e+01 2.798215974e+01 nan nan 1.02 4.336556870e+01 4.336556870e+01 nan nan 2.589315796e+01 2.589315796e+01 nan nan 1.04 4.006645349e+01 4.006645349e+01 6.331750600e+01 6.331750600e+01 2.392341686e+01 2.392341686e+01 7.529797794e+01 7.529797794e+01 1.06 3.712355329e+01 3.712355329e+01 5.750372561e+01 5.750372561e+01 2.210383817e+01 2.210383817e+01 6.930628102e+01 6.930628102e+01 1.08 3.450329880e+01 3.450329880e+01 5.241166236e+01 5.241166236e+01 2.053836811e+01 2.053836811e+01 6.382824189e+01 6.382824189e+01 1.10 3.216644727e+01 3.216644727e+01 4.801061082e+01 4.801061082e+01 1.922527672e+01 1.922527672e+01 5.880723304e+01 5.880723304e+01 1.12 3.007373107e+01 3.007373107e+01 4.421123447e+01 4.421123447e+01 1.813406965e+01 1.813406965e+01 5.419308953e+01 5.419308953e+01 1.14 2.818623684e+01 2.818623684e+01 4.091944328e+01 4.091944328e+01 1.722727066e+01 1.722727066e+01 4.998890284e+01 4.998890284e+01 1.16 2.646515261e+01 2.646515261e+01 3.805883230e+01 3.805883230e+01 1.647635880e+01 1.647635880e+01 4.629859236e+01 4.629859236e+01 1.18 2.494018213e+01 2.494018213e+01 3.556858121e+01 3.556858121e+01 1.586389442e+01 1.586389442e+01 4.309754811e+01 4.309754811e+01 1.20 2.361901093e+01 2.361901093e+01 3.339567788e+01 3.339567788e+01 1.537627090e+01 1.537627090e+01 4.032506556e+01 4.032506556e+01 1.22 2.247961867e+01 2.247961867e+01 3.148899475e+01 3.148899475e+01 1.499578432e+01 1.499578432e+01 3.791134919e+01 3.791134919e+01 1.24 2.149189662e+01 2.149189662e+01 2.980823692e+01 2.980823692e+01 1.469821265e+01 1.469821265e+01 3.579456109e+01 3.579456109e+01 1.26 2.062952740e+01 2.062952740e+01 2.832916140e+01 2.832916140e+01 1.433633950e+01 1.433633950e+01 3.393477415e+01 3.393477415e+01 1.28 1.987411745e+01 1.987411745e+01 2.703593100e+01 2.703593100e+01 1.388624573e+01 1.388624573e+01 3.230327042e+01 3.230327042e+01 1.30 1.921381200e+01 1.921381200e+01 2.591342824e+01 2.591342824e+01 1.337649766e+01 1.337649766e+01 3.087472972e+01 3.087472972e+01 1.32 1.864045955e+01 1.864045955e+01 2.494364048e+01 2.494364048e+01 1.282608928e+01 1.282608928e+01 2.962372419e+01 2.962372419e+01 1.34 1.814877404e+01 1.814877404e+01 2.411362306e+01 2.411362306e+01 1.225089964e+01 1.225089964e+01 2.852650273e+01 2.852650273e+01 1.36 1.773370266e+01 1.773370266e+01 2.341333113e+01 2.341333113e+01 1.166363249e+01 1.166363249e+01 2.756351636e+01 2.756351636e+01 1.38 1.739029160e+01 1.739029160e+01 2.283146514e+01 2.283146514e+01 1.107271286e+01 1.107271286e+01 2.671676311e+01 2.671676311e+01 1.40 1.711252416e+01 1.711252416e+01 2.235344555e+01 2.235344555e+01 1.048246063e+01 1.048246063e+01 2.596852266e+01 2.596852266e+01 1.42 1.689056529e+01 1.689056529e+01 2.196225272e+01 2.196225272e+01 9.895031663e+00 9.895031663e+00 2.530181458e+01 2.530181458e+01 1.44 1.665034569e+01 1.665034569e+01 2.164165651e+01 2.164165651e+01 9.312375180e+00 9.312375180e+00 2.470278782e+01 2.470278782e+01 1.46 1.630952741e+01 1.630952741e+01 2.137611286e+01 2.137611286e+01 8.736939855e+00 8.736939855e+00 2.416236876e+01 2.416236876e+01 1.48 1.588824830e+01 1.588824830e+01 2.114862951e+01 2.114862951e+01 8.171252968e+00 8.171252968e+00 2.367514139e+01 2.367514139e+01 1.50 1.540104611e+01 1.540104611e+01 2.094460079e+01 2.094460079e+01 7.619167672e+00 7.619167672e+00 2.323660604e+01 2.323660604e+01 1.52 1.485982628e+01 1.485982628e+01 2.075295682e+01 2.075295682e+01 7.084912950e+00 7.084912950e+00 2.284293452e+01 2.284293452e+01 1.54 1.427584152e+01 1.427584152e+01 2.056587238e+01 2.056587238e+01 6.571754936e+00 6.571754936e+00 2.249023261e+01 2.249023261e+01 1.56 1.365943206e+01 1.365943206e+01 2.027800193e+01 2.027800193e+01 6.081704746e+00 6.081704746e+00 2.217388724e+01 2.217388724e+01 1.58 1.301899415e+01 1.301899415e+01 1.984621133e+01 1.984621133e+01 5.615929963e+00 5.615929963e+00 2.180081007e+01 2.180081007e+01 1.60 1.236091093e+01 1.236091093e+01 1.930367122e+01 1.930367122e+01 5.174953528e+00 5.174953528e+00 2.130285064e+01 2.130285064e+01 1.62 1.168952504e+01 1.168952504e+01 1.867762824e+01 1.867762824e+01 4.759235538e+00 4.759235538e+00 2.070442887e+01 2.070442887e+01 1.64 1.100833654e+01 1.100833654e+01 1.798935187e+01 1.798935187e+01 4.368228406e+00 4.368228406e+00 2.002555132e+01 2.002555132e+01 1.66 1.032067735e+01 1.032067735e+01 1.725622191e+01 1.725622191e+01 4.000871875e+00 4.000871875e+00 1.928273801e+01 1.928273801e+01 1.68 9.629831565e+00 9.629831565e+00 1.649114048e+01 1.649114048e+01 3.654917667e+00 3.654917667e+00 1.849029128e+01 1.849029128e+01 1.70 8.939965825e+00 8.939965825e+00 1.570294071e+01 1.570294071e+01 3.327086029e+00 3.327086029e+00 1.766126165e+01 1.766126165e+01 1.72 8.255896091e+00 8.255896091e+00 1.489776469e+01 1.489776469e+01 3.013532933e+00 3.013532933e+00 1.680589567e+01 1.680589567e+01 1.74 7.581732447e+00 7.581732447e+00 1.407973292e+01 1.407973292e+01 2.710224611e+00 2.710224611e+00 1.593320823e+01 1.593320823e+01 1.76 6.920297479e+00 6.920297479e+00 1.325322278e+01 1.325322278e+01 2.414798810e+00 2.414798810e+00 1.505076585e+01 1.505076585e+01 1.78 6.274081464e+00 6.274081464e+00 1.242259671e+01 1.242259671e+01 2.126295204e+00 2.126295204e+00 1.416457596e+01 1.416457596e+01 1.80 5.645325244e+00 5.645325244e+00 1.159120403e+01 1.159120403e+01 1.843981003e+00 1.843981003e+00 1.327937194e+01 1.327937194e+01 1.82 5.035996523e+00 5.035996523e+00 1.076230031e+01 1.076230031e+01 1.567567820e+00 1.567567820e+00 1.239893565e+01 1.239893565e+01 1.84 4.447287639e+00 4.447287639e+00 9.938276938e+00 9.938276938e+00 1.296637156e+00 1.296637156e+00 1.152617070e+01 1.152617070e+01 1.86 3.879968023e+00 3.879968023e+00 9.121093125e+00 9.121093125e+00 1.030793073e+00 1.030793073e+00 1.066321764e+01 1.066321764e+01 1.88 3.334458813e+00 3.334458813e+00 8.312365258e+00 8.312365258e+00 7.696851238e-01 7.696851238e-01 9.811416650e+00 9.811416650e+00 1.90 2.810886506e+00 2.810886506e+00 7.513370774e+00 7.513370774e+00 5.129858640e-01 5.129858640e-01 8.971369164e+00 8.971369164e+00 1.92 2.308416063e+00 2.308416063e+00 6.724947762e+00 6.724947762e+00 2.602707806e-01 2.602707806e-01 8.142828306e+00 8.142828306e+00 1.94 1.825324966e+00 1.825324966e+00 5.947197088e+00 5.947197088e+00 1.080201703e-02 1.080201703e-02 7.325121587e+00 7.325121587e+00 1.96 1.359389323e+00 1.359389323e+00 5.180258597e+00 5.180258597e+00 -2.361430020e-01 -2.361430020e-01 6.518107158e+00 6.518107158e+00 1.98 9.080291219e-01 9.080291219e-01 4.424199899e+00 4.424199899e+00 -4.812731242e-01 -4.812731242e-01 5.721678296e+00 5.721678296e+00 2.00 4.684780869e-01 4.684780869e-01 3.679108885e+00 3.679108885e+00 -7.251416233e-01 -7.251416233e-01 4.936092560e+00 4.936092560e+00 2.02 5.186606319e-02 5.186606319e-02 2.962999770e+00 2.962999770e+00 -9.591375647e-01 -9.591375647e-01 4.179216217e+00 4.179216217e+00 2.04 -3.315685093e-01 -3.315685093e-01 2.291381938e+00 2.291381938e+00 -1.175732369e+00 -1.175732369e+00 3.466161610e+00 3.466161610e+00 2.06 -6.804562579e-01 -6.804562579e-01 1.667219753e+00 1.667219753e+00 -1.373563779e+00 -1.373563779e+00 2.799480233e+00 2.799480233e+00 2.08 -9.945784246e-01 -9.945784246e-01 1.091795520e+00 1.091795520e+00 -1.552075035e+00 -1.552075035e+00 2.180196653e+00 2.180196653e+00 2.10 -1.275071859e+00 -1.275071859e+00 5.645982247e-01 5.645982247e-01 -1.711575459e+00 -1.711575459e+00 1.607584320e+00 1.607584320e+00 2.12 -1.524561709e+00 -1.524561709e+00 8.278488697e-02 8.278488697e-02 -1.853446186e+00 -1.853446186e+00 1.078978348e+00 1.078978348e+00 2.14 -1.745175625e+00 -1.745175625e+00 -3.558448816e-01 -3.558448816e-01 -1.978644762e+00 -1.978644762e+00 5.926684680e-01 5.926684680e-01 2.16 -1.940449176e+00 -1.940449176e+00 -7.551561034e-01 -7.551561034e-01 -2.088892225e+00 -2.088892225e+00 1.451016721e-01 1.451016721e-01 2.18 -2.112926033e+00 -2.112926033e+00 -1.117601598e+00 -1.117601598e+00 -2.185157294e+00 -2.185157294e+00 -2.659034210e-01 -2.659034210e-01 2.20 -2.264858588e+00 -2.264858588e+00 -1.445250222e+00 -1.445250222e+00 -2.268224254e+00 -2.268224254e+00 -6.422839832e-01 -6.422839832e-01 2.22 -2.398265968e+00 -2.398265968e+00 -1.739829421e+00 -1.739829421e+00 -2.338757632e+00 -2.338757632e+00 -9.857953858e-01 -9.857953858e-01 2.24 -2.515349376e+00 -2.515349376e+00 -2.003238970e+00 -2.003238970e+00 -2.397559500e+00 -2.397559500e+00 -1.298505805e+00 -1.298505805e+00 2.26 -2.618043398e+00 -2.618043398e+00 -2.237217296e+00 -2.237217296e+00 -2.445373334e+00 -2.445373334e+00 -1.582357899e+00 -1.582357899e+00 2.28 -2.707722873e+00 -2.707722873e+00 -2.443482985e+00 -2.443482985e+00 -2.482932722e+00 -2.482932722e+00 -1.839230500e+00 -1.839230500e+00 2.30 -2.785739907e+00 -2.785739907e+00 -2.624072805e+00 -2.624072805e+00 -2.511131452e+00 -2.511131452e+00 -2.071248965e+00 -2.071248965e+00 2.32 -2.853197687e+00 -2.853197687e+00 -2.780894103e+00 -2.780894103e+00 -2.530791793e+00 -2.530791793e+00 -2.280338956e+00 -2.280338956e+00 2.34 -2.911253335e+00 -2.911253335e+00 -2.915925095e+00 -2.915925095e+00 -2.542753457e+00 -2.542753457e+00 -2.468361329e+00 -2.468361329e+00 2.36 -2.960728099e+00 -2.960728099e+00 -3.030774491e+00 -3.030774491e+00 -2.547643962e+00 -2.547643962e+00 -2.636627281e+00 -2.636627281e+00 2.38 -3.002415633e+00 -3.002415633e+00 -3.127152080e+00 -3.127152080e+00 -2.546131762e+00 -2.546131762e+00 -2.786472110e+00 -2.786472110e+00 2.40 -3.036843694e+00 -3.036843694e+00 -3.206573463e+00 -3.206573463e+00 -2.538770834e+00 -2.538770834e+00 -2.919009178e+00 -2.919009178e+00 2.42 -3.064368882e+00 -3.064368882e+00 -3.270720558e+00 -3.270720558e+00 -2.526175159e+00 -2.526175159e+00 -3.035373406e+00 -3.035373406e+00 2.44 -3.085198666e+00 -3.085198666e+00 -3.321353183e+00 -3.321353183e+00 -2.508961310e+00 -2.508961310e+00 -3.136694552e+00 -3.136694552e+00 2.46 -3.099555187e+00 -3.099555187e+00 -3.360099070e+00 -3.360099070e+00 -2.487698909e+00 -2.487698909e+00 -3.224001557e+00 -3.224001557e+00 2.48 -3.107624839e+00 -3.107624839e+00 -3.388149794e+00 -3.388149794e+00 -2.462853283e+00 -2.462853283e+00 -3.298102676e+00 -3.298102676e+00 2.50 -3.109770383e+00 -3.109770383e+00 -3.406645568e+00 -3.406645568e+00 -2.434924985e+00 -2.434924985e+00 -3.359974071e+00 -3.359974071e+00 2.52 -3.106262076e+00 -3.106262076e+00 -3.416540958e+00 -3.416540958e+00 -2.404306843e+00 -2.404306843e+00 -3.410384057e+00 -3.410384057e+00 2.54 -3.097346251e+00 -3.097346251e+00 -3.418780277e+00 -3.418780277e+00 -2.371357302e+00 -2.371357302e+00 -3.450049162e+00 -3.450049162e+00 2.56 -3.083418673e+00 -3.083418673e+00 -3.414370142e+00 -3.414370142e+00 -2.336495587e+00 -2.336495587e+00 -3.479713366e+00 -3.479713366e+00 2.58 -3.064963336e+00 -3.064963336e+00 -3.404200388e+00 -3.404200388e+00 -2.300068801e+00 -2.300068801e+00 -3.499988384e+00 -3.499988384e+00 2.60 -3.042503348e+00 -3.042503348e+00 -3.389192864e+00 -3.389192864e+00 -2.262488236e+00 -2.262488236e+00 -3.511596029e+00 -3.511596029e+00 2.62 -3.016470315e+00 -3.016470315e+00 -3.370126543e+00 -3.370126543e+00 -2.224127596e+00 -2.224127596e+00 -3.515181773e+00 -3.515181773e+00 2.64 -2.987342931e+00 -2.987342931e+00 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