# 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 = AuPt # 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 1.427538723e+03 1.427538723e+03 nan nan 0.78 nan nan nan nan 1.289788574e+03 1.289788574e+03 nan nan 0.80 nan nan nan nan 1.167229272e+03 1.167229272e+03 nan nan 0.82 nan nan nan nan 1.057935470e+03 1.057935470e+03 nan nan 0.84 nan nan nan nan 9.602584084e+02 9.602584084e+02 nan nan 0.86 nan nan nan nan 8.727830186e+02 8.727830186e+02 nan nan 0.88 1.331421460e+03 1.331421460e+03 nan nan 7.942899027e+02 7.942899027e+02 nan nan 0.90 1.216059908e+03 1.216059908e+03 nan nan 7.237249590e+02 7.237249590e+02 nan nan 0.92 1.111956363e+03 1.111956363e+03 nan nan 6.601731750e+02 6.601731750e+02 nan nan 0.94 1.017851665e+03 1.017851665e+03 nan nan 6.028396208e+02 6.028396208e+02 nan nan 0.96 9.326465915e+02 9.326465915e+02 nan nan 5.510301919e+02 5.510301919e+02 nan nan 0.98 8.553805350e+02 8.553805350e+02 nan nan 5.041391144e+02 5.041391144e+02 1.284550998e+03 1.284550998e+03 1.00 7.852115496e+02 7.852115496e+02 1.102849817e+03 1.102849817e+03 4.616349266e+02 4.616349266e+02 1.182825955e+03 1.182825955e+03 1.02 7.213967449e+02 7.213967449e+02 1.015739709e+03 1.015739709e+03 4.230517118e+02 4.230517118e+02 1.090125972e+03 1.090125972e+03 1.04 6.632833040e+02 6.632833040e+02 9.362779966e+02 9.362779966e+02 3.879784981e+02 3.879784981e+02 1.005533174e+03 1.005533174e+03 1.06 6.102933078e+02 6.102933078e+02 8.636973724e+02 8.636973724e+02 3.560528879e+02 3.560528879e+02 9.282356808e+02 9.282356808e+02 1.08 5.619162047e+02 5.619162047e+02 7.973195016e+02 7.973195016e+02 3.269554900e+02 3.269554900e+02 8.575151116e+02 8.575151116e+02 1.10 5.176981780e+02 5.176981780e+02 7.365399986e+02 7.365399986e+02 3.004021281e+02 3.004021281e+02 7.927326702e+02 7.927326702e+02 1.12 4.772362037e+02 4.772362037e+02 6.808230957e+02 6.808230957e+02 2.761413725e+02 2.761413725e+02 7.333209431e+02 7.333209431e+02 1.14 4.401716664e+02 4.401716664e+02 6.296915757e+02 6.296915757e+02 2.539501389e+02 2.539501389e+02 6.787744603e+02 6.787744603e+02 1.16 4.061845202e+02 4.061845202e+02 5.827184491e+02 5.827184491e+02 2.336291547e+02 2.336291547e+02 6.286416771e+02 6.286416771e+02 1.18 3.749887881e+02 3.749887881e+02 5.395226184e+02 5.395226184e+02 2.150010252e+02 2.150010252e+02 5.825191418e+02 5.825191418e+02 1.20 3.463273289e+02 3.463273289e+02 4.997628471e+02 4.997628471e+02 1.979075240e+02 1.979075240e+02 5.400449691e+02 5.400449691e+02 1.22 3.199704446e+02 3.199704446e+02 4.631326833e+02 4.631326833e+02 1.822068879e+02 1.822068879e+02 5.008940594e+02 5.008940594e+02 1.24 2.957119012e+02 2.957119012e+02 4.293553932e+02 4.293553932e+02 1.677714469e+02 1.677714469e+02 4.647745100e+02 4.647745100e+02 1.26 2.733656363e+02 2.733656363e+02 3.981829180e+02 3.981829180e+02 1.544870782e+02 1.544870782e+02 4.314234171e+02 4.314234171e+02 1.28 2.527642539e+02 2.527642539e+02 3.693916558e+02 3.693916558e+02 1.422513601e+02 1.422513601e+02 4.006038355e+02 4.006038355e+02 1.30 2.337573934e+02 2.337573934e+02 3.427800022e+02 3.427800022e+02 1.309723442e+02 1.309723442e+02 3.721012024e+02 3.721012024e+02 1.32 2.162079404e+02 2.162079404e+02 3.181641985e+02 3.181641985e+02 1.205663563e+02 1.205663563e+02 3.457219010e+02 3.457219010e+02 1.34 1.999923388e+02 1.999923388e+02 2.953785971e+02 2.953785971e+02 1.109583172e+02 1.109583172e+02 3.212906521e+02 3.212906521e+02 1.36 1.849989863e+02 1.849989863e+02 2.742731001e+02 2.742731001e+02 1.020804640e+02 1.020804640e+02 2.986478344e+02 2.986478344e+02 1.38 1.711266197e+02 1.711266197e+02 2.547113183e+02 2.547113183e+02 9.387144073e+01 9.387144073e+01 2.776489038e+02 2.776489038e+02 1.40 1.582832729e+02 1.582832729e+02 2.365692494e+02 2.365692494e+02 8.627563933e+01 8.627563933e+01 2.581624601e+02 2.581624601e+02 1.42 1.463853304e+02 1.463853304e+02 2.197341094e+02 2.197341094e+02 7.924270672e+01 7.924270672e+01 2.400688934e+02 2.400688934e+02 1.44 1.353566122e+02 1.353566122e+02 2.041024082e+02 2.041024082e+02 7.272652452e+01 7.272652452e+01 2.232590178e+02 2.232590178e+02 1.46 1.251276389e+02 1.251276389e+02 1.895802316e+02 1.895802316e+02 6.668541771e+01 6.668541771e+01 2.076326980e+02 2.076326980e+02 1.48 1.156353622e+02 1.156353622e+02 1.760816305e+02 1.760816305e+02 6.108136335e+01 6.108136335e+01 1.930988860e+02 1.930988860e+02 1.50 1.068218733e+02 1.068218733e+02 1.635280234e+02 1.635280234e+02 5.587971114e+01 5.587971114e+01 1.795741530e+02 1.795741530e+02 1.52 9.863409468e+01 9.863409468e+01 1.518475219e+02 1.518475219e+02 5.104888188e+01 5.104888188e+01 1.669821125e+02 1.669821125e+02 1.54 9.102382283e+01 9.102382283e+01 1.409742519e+02 1.409742519e+02 4.656002286e+01 4.656002286e+01 1.552529226e+02 1.552529226e+02 1.56 8.394691660e+01 8.394691660e+01 1.308479121e+02 1.308479121e+02 4.238683362e+01 4.238683362e+01 1.443223232e+02 1.443223232e+02 1.58 7.736288433e+01 7.736288433e+01 1.214128021e+02 1.214128021e+02 3.850508223e+01 3.850508223e+01 1.341313337e+02 1.341313337e+02 1.60 7.123464675e+01 7.123464675e+01 1.126175062e+02 1.126175062e+02 3.489243096e+01 3.489243096e+01 1.246258483e+02 1.246258483e+02 1.62 6.552833060e+01 6.552833060e+01 1.044152330e+02 1.044152330e+02 3.152864153e+01 3.152864153e+01 1.157559002e+02 1.157559002e+02 1.64 6.021219965e+01 6.021219965e+01 9.676286993e+01 9.676286993e+01 2.839731494e+01 2.839731494e+01 1.074755465e+02 1.074755465e+02 1.66 5.525752402e+01 5.525752402e+01 8.962067315e+01 8.962067315e+01 2.549238701e+01 2.549238701e+01 9.974250424e+01 9.974250424e+01 1.68 5.063787515e+01 5.063787515e+01 8.295206360e+01 8.295206360e+01 2.280288396e+01 2.280288396e+01 9.251780674e+01 9.251780674e+01 1.70 4.632888562e+01 4.632888562e+01 7.672331034e+01 7.672331034e+01 2.031723170e+01 2.031723170e+01 8.576550689e+01 8.576550689e+01 1.72 4.230805296e+01 4.230805296e+01 7.090327436e+01 7.090327436e+01 1.802253668e+01 1.802253668e+01 7.945251744e+01 7.945251744e+01 1.74 3.855470438e+01 3.855470438e+01 6.546317136e+01 6.546317136e+01 1.590673993e+01 1.590673993e+01 7.354803606e+01 7.354803606e+01 1.76 3.504977129e+01 3.504977129e+01 6.037642779e+01 6.037642779e+01 1.395857970e+01 1.395857970e+01 6.802358279e+01 6.802358279e+01 1.78 3.177738849e+01 3.177738849e+01 5.561872154e+01 5.561872154e+01 1.216758650e+01 1.216758650e+01 6.285301997e+01 6.285301997e+01 1.80 2.872958918e+01 2.872958918e+01 5.116701034e+01 5.116701034e+01 1.052367177e+01 1.052367177e+01 5.801202319e+01 5.801202319e+01 1.82 2.589633536e+01 2.589633536e+01 4.700012669e+01 4.700012669e+01 9.017419024e+00 9.017419024e+00 5.347808132e+01 5.347808132e+01 1.84 2.326678861e+01 2.326678861e+01 4.309861802e+01 4.309861802e+01 7.639995922e+00 7.639995922e+00 4.923035774e+01 4.923035774e+01 1.86 2.082818349e+01 2.082818349e+01 3.944446920e+01 3.944446920e+01 6.382988628e+00 6.382988628e+00 4.524953950e+01 4.524953950e+01 1.88 1.856853189e+01 1.856853189e+01 3.602097069e+01 3.602097069e+01 5.238336913e+00 5.238336913e+00 4.151773159e+01 4.151773159e+01 1.90 1.647657393e+01 1.647657393e+01 3.281534564e+01 3.281534564e+01 4.198337922e+00 4.198337922e+00 3.801832440e+01 3.801832440e+01 1.92 1.454178394e+01 1.454178394e+01 2.982296657e+01 2.982296657e+01 3.256003667e+00 3.256003667e+00 3.473589438e+01 3.473589438e+01 1.94 1.275426517e+01 1.275426517e+01 2.703259387e+01 2.703259387e+01 2.404477693e+00 2.404477693e+00 3.166319667e+01 3.166319667e+01 1.96 1.110470935e+01 1.110470935e+01 2.443368701e+01 2.443368701e+01 1.637212087e+00 1.637212087e+00 2.879192409e+01 2.879192409e+01 1.98 9.584336523e+00 9.584336523e+00 2.201454806e+01 2.201454806e+01 9.480460170e-01 9.480460170e-01 2.611377670e+01 2.611377670e+01 2.00 8.184886122e+00 8.184886122e+00 1.976412679e+01 1.976412679e+01 3.312800301e-01 3.312800301e-01 2.361713112e+01 2.361713112e+01 2.02 6.898582527e+00 6.898582527e+00 1.767206548e+01 1.767206548e+01 -2.191325577e-01 -2.191325577e-01 2.129106887e+01 2.129106887e+01 2.04 5.718089411e+00 5.718089411e+00 1.572861567e+01 1.572861567e+01 -7.086177953e-01 -7.086177953e-01 1.912540658e+01 1.912540658e+01 2.06 4.636480923e+00 4.636480923e+00 1.392455290e+01 1.392455290e+01 -1.142323498e+00 -1.142323498e+00 1.711028861e+01 1.711028861e+01 2.08 3.647215010e+00 3.647215010e+00 1.225115343e+01 1.225115343e+01 -1.525117085e+00 -1.525117085e+00 1.523653318e+01 1.523653318e+01 2.10 2.744109389e+00 2.744109389e+00 1.070035074e+01 1.070035074e+01 -1.861330034e+00 -1.861330034e+00 1.349551871e+01 1.349551871e+01 2.12 1.921319989e+00 1.921319989e+00 9.264598335e+00 9.264598335e+00 -2.155560133e+00 -2.155560133e+00 1.187913961e+01 1.187913961e+01 2.14 1.173321781e+00 1.173321781e+00 7.936525229e+00 7.936525229e+00 -2.411860348e+00 -2.411860348e+00 1.037969211e+01 1.037969211e+01 2.16 4.951505712e-01 4.951505712e-01 6.709284570e+00 6.709284570e+00 -2.633910625e+00 -2.633910625e+00 8.989957615e+00 8.989957615e+00 2.18 -1.185400317e-01 -1.185400317e-01 5.576484720e+00 5.576484720e+00 -2.825155358e+00 -2.825155358e+00 7.703193421e+00 7.703193421e+00 2.20 -6.723631766e-01 -6.723631766e-01 4.532157541e+00 4.532157541e+00 -2.988547034e+00 -2.988547034e+00 6.513001315e+00 6.513001315e+00 2.22 -1.170622658e+00 -1.170622658e+00 3.570547915e+00 3.570547915e+00 -3.127031389e+00 -3.127031389e+00 5.413351369e+00 5.413351369e+00 2.24 -1.617467865e+00 -1.617467865e+00 2.686417858e+00 2.686417858e+00 -3.243496515e+00 -3.243496515e+00 4.398556936e+00 4.398556936e+00 2.26 -2.016807608e+00 -2.016807608e+00 1.874814221e+00 1.874814221e+00 -3.340260326e+00 -3.340260326e+00 3.463235457e+00 3.463235457e+00 2.28 -2.372341447e+00 -2.372341447e+00 1.131031576e+00 1.131031576e+00 -3.419487413e+00 -3.419487413e+00 2.602358395e+00 2.602358395e+00 2.30 -2.687448248e+00 -2.687448248e+00 4.506823374e-01 4.506823374e-01 -3.483208083e+00 -3.483208083e+00 1.811059481e+00 1.811059481e+00 2.32 -2.965412474e+00 -2.965412474e+00 -1.701228517e-01 -1.701228517e-01 -3.533132729e+00 -3.533132729e+00 1.084907566e+00 1.084907566e+00 2.34 -3.209264578e+00 -3.209264578e+00 -7.356069608e-01 -7.356069608e-01 -3.570715381e+00 -3.570715381e+00 4.197836921e-01 4.197836921e-01 2.36 -3.421835830e+00 -3.421835830e+00 -1.249474790e+00 -1.249474790e+00 -3.597391431e+00 -3.597391431e+00 -1.879528377e-01 -1.879528377e-01 2.38 -3.605996078e+00 -3.605996078e+00 -1.715211224e+00 -1.715211224e+00 -3.614396613e+00 -3.614396613e+00 -7.424061500e-01 -7.424061500e-01 2.40 -3.764278184e+00 -3.764278184e+00 -2.136094106e+00 -2.136094106e+00 -3.622826015e+00 -3.622826015e+00 -1.247124234e+00 -1.247124234e+00 2.42 -3.898266680e+00 -3.898266680e+00 -2.515256508e+00 -2.515256508e+00 -3.623772359e+00 -3.623772359e+00 -1.705495994e+00 -1.705495994e+00 2.44 -4.010432877e+00 -4.010432877e+00 -2.855328988e+00 -2.855328988e+00 -3.617994513e+00 -3.617994513e+00 -2.120599460e+00 -2.120599460e+00 2.46 -4.102809280e+00 -4.102809280e+00 -3.159227297e+00 -3.159227297e+00 -3.606233645e+00 -3.606233645e+00 -2.495368166e+00 -2.495368166e+00 2.48 -4.177182387e+00 -4.177182387e+00 -3.429528049e+00 -3.429528049e+00 -3.589164565e+00 -3.589164565e+00 -2.832340339e+00 -2.832340339e+00 2.50 -4.235763641e+00 -4.235763641e+00 -3.668641522e+00 -3.668641522e+00 -3.567385167e+00 -3.567385167e+00 -3.134293440e+00 -3.134293440e+00 2.52 -4.279510384e+00 -4.279510384e+00 -3.878830714e+00 -3.878830714e+00 -3.541425671e+00 -3.541425671e+00 -3.403665005e+00 -3.403665005e+00 2.54 -4.309631384e+00 -4.309631384e+00 -4.062219551e+00 -4.062219551e+00 -3.511778040e+00 -3.511778040e+00 -3.642748472e+00 -3.642748472e+00 2.56 -4.327619791e+00 -4.327619791e+00 -4.220800656e+00 -4.220800656e+00 -3.478311134e+00 -3.478311134e+00 -3.853738791e+00 -3.853738791e+00 2.58 -4.334660645e+00 -4.334660645e+00 -4.356398042e+00 -4.356398042e+00 -3.440934171e+00 -3.440934171e+00 -4.038853841e+00 -4.038853841e+00 2.60 -4.331844364e+00 -4.331844364e+00 -4.470369337e+00 -4.470369337e+00 -3.401109811e+00 -3.401109811e+00 -4.199761288e+00 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