# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2017--Kim-J-S-Seol-D-Ji-J-et-al--Pt-Co # implementation = 2017--Kim-J-S--Pt-Co--LAMMPS--ipr1 # composition = Co2Pt # 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 8.529800783e+01 0.86 8.628526399e+01 0.88 8.671478389e+01 0.90 8.665295204e+01 0.92 8.616021610e+01 0.94 8.529155061e+01 0.96 8.409688726e+01 0.98 8.262151425e+01 1.00 8.090644656e+01 1.02 7.898876928e+01 1.04 7.690195577e+01 1.06 7.467616253e+01 1.08 7.233850211e+01 1.10 6.991329582e+01 1.12 6.742230764e+01 1.14 6.488496041e+01 1.16 6.231853583e+01 1.18 5.973835921e+01 1.20 5.715797010e+01 1.22 5.458927988e+01 1.24 5.204271704e+01 1.26 4.952736129e+01 1.28 4.705106705e+01 1.30 4.462057730e+01 1.32 4.224162826e+01 1.34 3.991904579e+01 1.36 3.765683400e+01 1.38 3.545825659e+01 1.40 3.332591160e+01 1.42 3.126179992e+01 1.44 2.926738810e+01 1.46 2.734366586e+01 1.48 2.549119875e+01 1.50 2.371017619e+01 1.52 2.200045543e+01 1.54 2.036160162e+01 1.56 1.879292424e+01 1.58 1.729351036e+01 1.60 1.586225483e+01 1.62 1.449788759e+01 1.64 1.319899857e+01 1.66 1.196406006e+01 1.68 1.079144705e+01 1.70 9.679455438e+00 1.72 8.626318486e+00 1.74 7.630221576e+00 1.76 6.689315395e+00 1.78 5.801727726e+00 1.80 4.965573931e+00 1.82 4.178966260e+00 1.84 3.440022063e+00 1.86 2.746871029e+00 1.88 2.097661508e+00 1.90 1.490566032e+00 1.92 9.237860704e-01 1.94 3.955561236e-01 1.96 -9.585280361e-02 1.98 -5.521302851e-01 2.00 -9.749240553e-01 2.02 -1.365838046e+00 2.04 -1.726430830e+00 2.06 -2.058214433e+00 2.08 -2.362653468e+00 2.10 -2.641164569e+00 2.12 -2.895116084e+00 2.14 -3.125827996e+00 2.16 -3.334572054e+00 2.18 -3.522572083e+00 2.20 -3.691004452e+00 2.22 -3.841228396e+00 2.24 -3.976477623e+00 2.26 -4.094140889e+00 2.28 -4.194968683e+00 2.30 -4.281430331e+00 2.32 -4.354433597e+00 2.34 -4.414845023e+00 2.36 -4.463491069e+00 2.38 -4.501159284e+00 2.40 -4.528599503e+00 2.42 -4.546525057e+00 2.44 -4.555613993e+00 2.46 -4.556510296e+00 2.48 -4.549825113e+00 2.50 -4.536137964e+00 2.52 -4.515997950e+00 2.54 -4.489924943e+00 2.56 -4.458410760e+00 2.58 -4.421920318e+00 2.60 -4.380892768e+00 2.62 -4.335742602e+00 2.64 -4.286860745e+00 2.66 -4.234615605e+00 2.68 -4.179354113e+00 2.70 -4.121402727e+00 2.72 -4.061070438e+00 2.74 -3.998656756e+00 2.76 -3.934419042e+00 2.78 -3.868595610e+00 2.80 -3.801440582e+00 2.82 -3.733177041e+00 2.84 -3.664013820e+00 2.86 -3.594146282e+00 2.88 -3.523757063e+00 2.90 -3.453016803e+00 2.92 -3.382084834e+00 2.94 -3.311109857e+00 2.96 -3.240230589e+00 2.98 -3.169576386e+00 3.00 -3.099267845e+00 3.02 -3.029417384e+00 3.04 -2.960129801e+00 3.06 -2.891502817e+00 3.08 -2.823627593e+00 3.10 -2.756589237e+00 3.12 -2.690467289e+00 3.14 -2.625336194e+00 3.16 -2.561265758e+00 3.18 -2.498321590e+00 3.20 -2.436565532e+00 3.22 -2.376056075e+00 3.24 -2.316848759e+00 3.26 -2.258996569e+00 3.28 -2.202550311e+00 3.30 -2.147558972e+00 3.32 -2.094070072e+00 3.34 -2.042129993e+00 3.36 -1.991784286e+00 3.38 -1.943077957e+00 3.40 -1.896055711e+00 3.42 -1.850762170e+00 3.44 -1.807242021e+00 3.46 -1.765540118e+00 3.48 -1.725701487e+00 3.50 -1.687771236e+00 3.52 -1.651794331e+00 3.54 -1.617815216e+00 3.56 -1.585877234e+00 3.58 -1.556021806e+00 3.60 -1.528287330e+00 3.62 -1.502707735e+00 3.64 -1.479310651e+00 3.66 -1.458115127e+00 3.68 -1.439128877e+00 3.70 -1.422345009e+00 3.72 -1.407738249e+00 3.74 -1.395260703e+00 3.76 -1.384837275e+00 3.78 -1.376360911e+00 3.80 -1.369687963e+00 3.82 -1.364604381e+00 3.84 -1.358198048e+00 3.86 -1.335746005e+00 3.88 -1.266428978e+00 3.90 -1.203614739e+00 3.92 -1.205643077e+00 3.94 -1.207517851e+00 3.96 -1.208820757e+00 3.98 -1.209139359e+00 4.00 -1.208086074e+00 4.02 -1.205317715e+00 4.04 -1.200553779e+00 4.06 -1.193591630e+00 4.08 -1.184316894e+00 4.10 -1.172707843e+00 4.12 -1.158833213e+00 4.14 -1.142843698e+00 4.16 -1.124958050e+00 4.18 -1.105445334e+00 4.20 -1.084605213e+00 4.22 -1.062748217e+00 4.24 -1.040177740e+00 4.26 -1.017175167e+00 4.28 -9.939889726e-01 4.30 -9.708281485e-01 4.32 -9.478597578e-01 4.34 -9.252100433e-01 4.36 -9.029682295e-01 4.38 -8.811920411e-01 4.40 -8.599139937e-01 4.42 -8.367161011e-01 4.44 -7.812731217e-01 4.46 -6.210747706e-01 4.48 -2.984079962e-01 4.50 -2.034413806e-22 4.52 0.000000000e+00 4.54 0.000000000e+00 4.56 0.000000000e+00 4.58 0.000000000e+00 4.60 0.000000000e+00 4.62 0.000000000e+00 4.64 0.000000000e+00 4.66 0.000000000e+00 4.68 0.000000000e+00 4.70 0.000000000e+00 4.72 0.000000000e+00 4.74 0.000000000e+00 4.76 0.000000000e+00 4.78 0.000000000e+00 4.80 0.000000000e+00 4.82 0.000000000e+00 4.84 0.000000000e+00 4.86 0.000000000e+00 4.88 0.000000000e+00 4.90 0.000000000e+00 4.92 0.000000000e+00 4.94 0.000000000e+00 4.96 0.000000000e+00 4.98 0.000000000e+00 5.00 0.000000000e+00 5.02 0.000000000e+00 5.04 0.000000000e+00 5.06 0.000000000e+00 5.08 0.000000000e+00 5.10 0.000000000e+00 5.12 0.000000000e+00 5.14 0.000000000e+00 5.16 0.000000000e+00 5.18 0.000000000e+00 5.20 0.000000000e+00 5.22 0.000000000e+00 5.24 0.000000000e+00 5.26 0.000000000e+00 5.28 0.000000000e+00 5.30 0.000000000e+00 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