# 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 = CoPt2 # 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 4.729426987e+02 0.86 4.423431578e+02 0.88 4.136730722e+02 0.90 3.868094048e+02 0.92 3.616371643e+02 0.94 3.380488666e+02 0.96 3.159440306e+02 0.98 2.952287102e+02 1.00 2.758150577e+02 1.02 2.576209166e+02 1.04 2.405694428e+02 1.06 2.245887513e+02 1.08 2.096115865e+02 1.10 1.955750160e+02 1.12 1.824201440e+02 1.14 1.700918449e+02 1.16 1.585385145e+02 1.18 1.477118385e+02 1.20 1.375665764e+02 1.22 1.280603596e+02 1.24 1.191535040e+02 1.26 1.108088342e+02 1.28 1.029915205e+02 1.30 9.566892599e+01 1.32 8.881046444e+01 1.34 8.238746743e+01 1.36 7.637306053e+01 1.38 7.074204758e+01 1.40 6.547080273e+01 1.42 6.053716974e+01 1.44 5.592036780e+01 1.46 5.160090371e+01 1.48 4.756048985e+01 1.50 4.378196745e+01 1.52 4.024923502e+01 1.54 3.694718152e+01 1.56 3.386162370e+01 1.58 3.097924777e+01 1.60 2.828755474e+01 1.62 2.577480937e+01 1.64 2.342999237e+01 1.66 2.124275581e+01 1.68 1.920338130e+01 1.70 1.730274089e+01 1.72 1.553226056e+01 1.74 1.388388595e+01 1.76 1.235005034e+01 1.78 1.092364466e+01 1.80 9.597989382e+00 1.82 8.366808265e+00 1.84 7.224203684e+00 1.86 6.164633556e+00 1.88 5.182889713e+00 1.90 4.274077640e+00 1.92 3.433597457e+00 1.94 2.657126118e+00 1.96 1.940600701e+00 1.98 1.280202734e+00 2.00 6.723435069e-01 2.02 1.136502740e-01 2.04 -3.990466875e-01 2.06 -8.687262213e-01 2.08 -1.298187694e+00 2.10 -1.690061705e+00 2.12 -2.046820138e+00 2.14 -2.370785605e+00 2.16 -2.664140315e+00 2.18 -2.928934416e+00 2.20 -3.167093816e+00 2.22 -3.380427558e+00 2.24 -3.570634730e+00 2.26 -3.739310976e+00 2.28 -3.887954613e+00 2.30 -4.017972386e+00 2.32 -4.130684879e+00 2.34 -4.227331608e+00 2.36 -4.309075810e+00 2.38 -4.377008951e+00 2.40 -4.432154974e+00 2.42 -4.475474286e+00 2.44 -4.507867521e+00 2.46 -4.530179081e+00 2.48 -4.543200469e+00 2.50 -4.547673427e+00 2.52 -4.544292895e+00 2.54 -4.533709796e+00 2.56 -4.516533661e+00 2.58 -4.493335101e+00 2.60 -4.464648139e+00 2.62 -4.430972404e+00 2.64 -4.392775205e+00 2.66 -4.350493478e+00 2.68 -4.304535634e+00 2.70 -4.255283285e+00 2.72 -4.203092890e+00 2.74 -4.148297298e+00 2.76 -4.091207192e+00 2.78 -4.032112474e+00 2.80 -3.971283576e+00 2.82 -3.908972666e+00 2.84 -3.845414811e+00 2.86 -3.780829073e+00 2.88 -3.715419542e+00 2.90 -3.649376309e+00 2.92 -3.582876396e+00 2.94 -3.516084628e+00 2.96 -3.449154460e+00 2.98 -3.382228766e+00 3.00 -3.315440583e+00 3.02 -3.248913813e+00 3.04 -3.182763903e+00 3.06 -3.117098476e+00 3.08 -3.052017947e+00 3.10 -2.987616098e+00 3.12 -2.923980635e+00 3.14 -2.861193718e+00 3.16 -2.799332467e+00 3.18 -2.738469451e+00 3.20 -2.678673154e+00 3.22 -2.620008424e+00 3.24 -2.562536904e+00 3.26 -2.506317448e+00 3.28 -2.451406516e+00 3.30 -2.397858559e+00 3.32 -2.345726374e+00 3.34 -2.295061450e+00 3.36 -2.245914281e+00 3.38 -2.198334661e+00 3.40 -2.152371933e+00 3.42 -2.108075204e+00 3.44 -2.065493504e+00 3.46 -2.024675880e+00 3.48 -1.985671406e+00 3.50 -1.948529085e+00 3.52 -1.913297630e+00 3.54 -1.880025074e+00 3.56 -1.848758185e+00 3.58 -1.819541649e+00 3.60 -1.792416952e+00 3.62 -1.767420934e+00 3.64 -1.744583948e+00 3.66 -1.723927574e+00 3.68 -1.705461852e+00 3.70 -1.689182004e+00 3.72 -1.675064646e+00 3.74 -1.663063544e+00 3.76 -1.653105017e+00 3.78 -1.645083169e+00 3.80 -1.638855245e+00 3.82 -1.634213237e+00 3.84 -1.628822665e+00 3.86 -1.612878906e+00 3.88 -1.576969021e+00 3.90 -1.552098169e+00 3.92 -1.553550968e+00 3.94 -1.554552924e+00 3.96 -1.554678504e+00 3.98 -1.553509686e+00 4.00 -1.550655158e+00 4.02 -1.545770033e+00 4.04 -1.538574289e+00 4.06 -1.528868064e+00 4.08 -1.516542116e+00 4.10 -1.501582227e+00 4.12 -1.484066999e+00 4.14 -1.464159261e+00 4.16 -1.442092047e+00 4.18 -1.418150670e+00 4.20 -1.392652792e+00 4.22 -1.365928434e+00 4.24 -1.338301692e+00 4.26 -1.310075553e+00 4.28 -1.281520679e+00 4.30 -1.252868511e+00 4.32 -1.224308509e+00 4.34 -1.195988960e+00 4.36 -1.168020499e+00 4.38 -1.140481381e+00 4.40 -1.113423557e+00 4.42 -1.083850340e+00 4.44 -1.013923094e+00 4.46 -8.120539329e-01 4.48 -3.990215903e-01 4.50 -2.040000474e-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