# 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 = Cu2Pt # 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 C1--CaF2--fluori 0.50 nan 0.52 nan 0.54 nan 0.56 nan 0.58 nan 0.60 nan 0.62 nan 0.64 nan 0.66 nan 0.68 nan 0.70 nan 0.72 nan 0.74 nan 0.76 nan 0.78 nan 0.80 nan 0.82 nan 0.84 6.857125172e+02 0.86 6.223152678e+02 0.88 5.649151424e+02 0.90 5.128839581e+02 0.92 4.656798739e+02 0.94 4.228179520e+02 0.96 3.838831051e+02 0.98 3.485067422e+02 1.00 3.163632094e+02 1.02 2.871549480e+02 1.04 2.606186585e+02 1.06 2.365101797e+02 1.08 2.146199125e+02 1.10 1.947517065e+02 1.12 1.767250476e+02 1.14 1.603737377e+02 1.16 1.455393795e+02 1.18 1.320895041e+02 1.20 1.198968992e+02 1.22 1.088461903e+02 1.24 9.883472954e+01 1.26 8.976411753e+01 1.28 8.154715832e+01 1.30 7.409993982e+01 1.32 6.734946528e+01 1.34 6.123178327e+01 1.36 5.568458981e+01 1.38 5.065032822e+01 1.40 4.608223934e+01 1.42 4.193381232e+01 1.44 3.816188056e+01 1.46 3.473053678e+01 1.48 3.160804266e+01 1.50 2.876357747e+01 1.52 2.616932076e+01 1.54 2.379968181e+01 1.56 2.163348323e+01 1.58 1.965151033e+01 1.60 1.783877534e+01 1.62 1.618327668e+01 1.64 1.467018063e+01 1.66 1.328623068e+01 1.68 1.201931232e+01 1.70 1.085857837e+01 1.72 9.794463233e+00 1.74 8.766850468e+00 1.76 7.832119102e+00 1.78 6.945961743e+00 1.80 6.107438432e+00 1.82 5.314366238e+00 1.84 4.564753027e+00 1.86 3.856969342e+00 1.88 3.189575593e+00 1.90 2.561246847e+00 1.92 1.970644774e+00 1.94 1.415101447e+00 1.96 8.957950689e-01 1.98 4.112124941e-01 2.00 -3.975823369e-02 2.02 -4.581527213e-01 2.04 -8.452000117e-01 2.06 -1.201939954e+00 2.08 -1.529774764e+00 2.10 -1.828396953e+00 2.12 -2.100604638e+00 2.14 -2.348238046e+00 2.16 -2.572846116e+00 2.18 -2.775287296e+00 2.20 -2.956720567e+00 2.22 -3.118356687e+00 2.24 -3.261376895e+00 2.26 -3.386928591e+00 2.28 -3.496121897e+00 2.30 -3.589594551e+00 2.32 -3.668394068e+00 2.34 -3.734008853e+00 2.36 -3.787163102e+00 2.38 -3.828842268e+00 2.40 -3.859997328e+00 2.42 -3.881430326e+00 2.44 -3.893900820e+00 2.46 -3.898126691e+00 2.48 -3.894949242e+00 2.50 -3.885346837e+00 2.52 -3.869366981e+00 2.54 -3.847583790e+00 2.56 -3.820527687e+00 2.58 -3.788657169e+00 2.60 -3.754157666e+00 2.62 -3.716214379e+00 2.64 -3.673265501e+00 2.66 -3.626503230e+00 2.68 -3.577026576e+00 2.70 -3.525154954e+00 2.72 -3.471180273e+00 2.74 -3.415371006e+00 2.76 -3.357983728e+00 2.78 -3.299018920e+00 2.80 -3.238679825e+00 2.82 -3.177452994e+00 2.84 -3.115492779e+00 2.86 -3.052970633e+00 2.88 -2.990043641e+00 2.90 -2.926856017e+00 2.92 -2.863539963e+00 2.94 -2.800216478e+00 2.96 -2.736996132e+00 2.98 -2.673979777e+00 3.00 -2.611259229e+00 3.02 -2.548924072e+00 3.04 -2.487627991e+00 3.06 -2.427616666e+00 3.08 -2.368119742e+00 3.10 -2.309206834e+00 3.12 -2.250930943e+00 3.14 -2.193339756e+00 3.16 -2.136473102e+00 3.18 -2.080372559e+00 3.20 -2.025094164e+00 3.22 -1.970603620e+00 3.24 -1.916868928e+00 3.26 -1.864270917e+00 3.28 -1.812398742e+00 3.30 -1.761256319e+00 3.32 -1.711056480e+00 3.34 -1.661813532e+00 3.36 -1.613497462e+00 3.38 -1.566113301e+00 3.40 -1.519669613e+00 3.42 -1.474166559e+00 3.44 -1.429609233e+00 3.46 -1.385996188e+00 3.48 -1.343270339e+00 3.50 -1.301371817e+00 3.52 -1.260298316e+00 3.54 -1.220111249e+00 3.56 -1.180860934e+00 3.58 -1.142549803e+00 3.60 -1.105157293e+00 3.62 -1.068671238e+00 3.64 -1.033081133e+00 3.66 -9.983576674e-01 3.68 -9.644900549e-01 3.70 -9.314758335e-01 3.72 -8.993135381e-01 3.74 -8.679969755e-01 3.76 -8.374523682e-01 3.78 -8.076263892e-01 3.80 -7.785664034e-01 3.82 -7.503090885e-01 3.84 -7.228811922e-01 3.86 -6.962572769e-01 3.88 -6.704232551e-01 3.90 -6.454393507e-01 3.92 -6.213938208e-01 3.94 -5.981640937e-01 3.96 -5.756336676e-01 3.98 -5.537143559e-01 4.00 -5.323432532e-01 4.02 -5.115301876e-01 4.04 -4.911918995e-01 4.06 -4.712260110e-01 4.08 -4.515601350e-01 4.10 -4.321459005e-01 4.12 -4.129539459e-01 4.14 -3.939289509e-01 4.16 -3.750626427e-01 4.18 -3.564306750e-01 4.20 -3.380960455e-01 4.22 -3.201103299e-01 4.24 -3.025152434e-01 4.26 -2.853207997e-01 4.28 -2.684744252e-01 4.30 -2.534669121e-01 4.32 -2.395054779e-01 4.34 -2.260003266e-01 4.36 -2.129844432e-01 4.38 -2.004688390e-01 4.40 -1.884583559e-01 4.42 -1.769528176e-01 4.44 -1.659479815e-01 4.46 -1.554363443e-01 4.48 -1.454078240e-01 4.50 -1.358503352e-01 4.52 -1.267502716e-01 4.54 -1.180929104e-01 4.56 -1.098627479e-01 4.58 -1.020437801e-01 4.60 -9.461973155e-02 4.62 -8.757424276e-02 4.64 -8.089102352e-02 4.66 -7.455397525e-02 4.68 -6.854728837e-02 4.70 -6.285551807e-02 4.72 -5.746364265e-02 4.74 -5.235710729e-02 4.76 -4.752185378e-02 4.78 -4.294434137e-02 4.80 -3.861155883e-02 4.82 -3.451102955e-02 4.84 -3.063081103e-02 4.86 -2.695948968e-02 4.88 -2.348617297e-02 4.90 -2.020047751e-02 4.92 -1.709199342e-02 4.94 -1.410334524e-02 4.96 -1.212907147e-02 4.98 -1.106147940e-02 5.00 -1.002043304e-02 5.02 -9.038876646e-03 5.04 -8.113745317e-03 5.06 -7.241903495e-03 5.08 -6.420382856e-03 5.10 -5.646373996e-03 5.12 -4.917218455e-03 5.14 -4.230401060e-03 5.16 -3.583542611e-03 5.18 -2.974392895e-03 5.20 -2.400824011e-03 5.22 -1.860823992e-03 5.24 -1.352490757e-03 5.26 -8.740263343e-04 5.28 -4.240047227e-04 5.30 -6.610827723e-16 5.32 0.000000000e+00 5.34 0.000000000e+00 5.36 0.000000000e+00 5.38 0.000000000e+00 5.40 0.000000000e+00 5.42 0.000000000e+00 5.44 0.000000000e+00 5.46 0.000000000e+00 5.48 0.000000000e+00 5.50 0.000000000e+00 5.52 0.000000000e+00 5.54 0.000000000e+00 5.56 0.000000000e+00 5.58 0.000000000e+00 5.60 0.000000000e+00 5.62 0.000000000e+00 5.64 0.000000000e+00 5.66 0.000000000e+00 5.68 0.000000000e+00 5.70 0.000000000e+00 5.72 0.000000000e+00 5.74 0.000000000e+00 5.76 0.000000000e+00 5.78 0.000000000e+00 5.80 0.000000000e+00 5.82 0.000000000e+00 5.84 0.000000000e+00 5.86 0.000000000e+00 5.88 0.000000000e+00 5.90 0.000000000e+00 5.92 0.000000000e+00 5.94 0.000000000e+00 5.96 0.000000000e+00 5.98 0.000000000e+00 6.00 0.000000000e+00