# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2017--Kim-J-S-Seol-D-Ji-J-et-al--Ni-Pt # implementation = 2017--Kim-J-S--Ni-Pt--LAMMPS--ipr1 # composition = Ni2Pt # 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 6.239199543e+02 0.86 5.820818150e+02 0.88 5.428976585e+02 0.90 5.062050829e+02 0.92 4.718513485e+02 0.94 4.396928173e+02 0.96 4.095944227e+02 0.98 3.814291705e+02 1.00 3.550776683e+02 1.02 3.304276816e+02 1.04 3.073737149e+02 1.06 2.858166173e+02 1.08 2.656632106e+02 1.10 2.468259384e+02 1.12 2.292225359e+02 1.14 2.127757180e+02 1.16 1.974128857e+02 1.18 1.830658500e+02 1.20 1.696705703e+02 1.22 1.571669095e+02 1.24 1.454984022e+02 1.26 1.346120364e+02 1.28 1.244580489e+02 1.30 1.149897307e+02 1.32 1.061632459e+02 1.34 9.793745933e+01 1.36 9.027377506e+01 1.38 8.313598445e+01 1.40 7.649012264e+01 1.42 7.030433375e+01 1.44 6.454874383e+01 1.46 5.919534129e+01 1.48 5.421786444e+01 1.50 4.959169555e+01 1.52 4.529376119e+01 1.54 4.130243845e+01 1.56 3.759746671e+01 1.58 3.415986462e+01 1.60 3.097185201e+01 1.62 2.801677643e+01 1.64 2.527904404e+01 1.66 2.274405468e+01 1.68 2.039814071e+01 1.70 1.822850961e+01 1.72 1.622318992e+01 1.74 1.437098049e+01 1.76 1.266140273e+01 1.78 1.108465577e+01 1.80 9.631574279e+00 1.82 8.293588836e+00 1.84 7.062688735e+00 1.86 5.931386994e+00 1.88 4.892687500e+00 1.90 3.940054161e+00 1.92 3.067381918e+00 1.94 2.268969531e+00 1.96 1.539494028e+00 1.98 8.739867115e-01 2.00 2.678106404e-01 2.02 -2.833605098e-01 2.04 -7.835622860e-01 2.06 -1.236558072e+00 2.08 -1.645856556e+00 2.10 -2.014728115e+00 2.12 -2.346220190e+00 2.14 -2.643171695e+00 2.16 -2.908226542e+00 2.18 -3.143846313e+00 2.20 -3.352322145e+00 2.22 -3.535785875e+00 2.24 -3.696220529e+00 2.26 -3.835469894e+00 2.28 -3.955247931e+00 2.30 -4.057147327e+00 2.32 -4.142647442e+00 2.34 -4.213121888e+00 2.36 -4.269845584e+00 2.38 -4.314001359e+00 2.40 -4.346686133e+00 2.42 -4.368916709e+00 2.44 -4.381635180e+00 2.46 -4.385714001e+00 2.48 -4.381960727e+00 2.50 -4.371122442e+00 2.52 -4.353889907e+00 2.54 -4.330901435e+00 2.56 -4.302746512e+00 2.58 -4.269969180e+00 2.60 -4.233071203e+00 2.62 -4.192515024e+00 2.64 -4.148726518e+00 2.66 -4.102097574e+00 2.68 -4.052988503e+00 2.70 -4.001730277e+00 2.72 -3.948626632e+00 2.74 -3.893956017e+00 2.76 -3.837973423e+00 2.78 -3.780912082e+00 2.80 -3.722985050e+00 2.82 -3.664386688e+00 2.84 -3.605294039e+00 2.86 -3.545868109e+00 2.88 -3.486255063e+00 2.90 -3.426587338e+00 2.92 -3.366984675e+00 2.94 -3.307555089e+00 2.96 -3.248395757e+00 2.98 -3.189593859e+00 3.00 -3.131227348e+00 3.02 -3.073365670e+00 3.04 -3.016070438e+00 3.06 -2.959396046e+00 3.08 -2.903390253e+00 3.10 -2.848094711e+00 3.12 -2.793545469e+00 3.14 -2.739773428e+00 3.16 -2.686804770e+00 3.18 -2.634661354e+00 3.20 -2.583361081e+00 3.22 -2.532918235e+00 3.24 -2.483343797e+00 3.26 -2.434645733e+00 3.28 -2.386829267e+00 3.30 -2.339897124e+00 3.32 -2.293849766e+00 3.34 -2.248685599e+00 3.36 -2.204401171e+00 3.38 -2.160991352e+00 3.40 -2.118449504e+00 3.42 -2.076767629e+00 3.44 -2.035936517e+00 3.46 -1.995945874e+00 3.48 -1.956784443e+00 3.50 -1.918440118e+00 3.52 -1.880900042e+00 3.54 -1.844150708e+00 3.56 -1.808178040e+00 3.58 -1.772967482e+00 3.60 -1.738504062e+00 3.62 -1.704772473e+00 3.64 -1.671757127e+00 3.66 -1.639442220e+00 3.68 -1.607811784e+00 3.70 -1.576849742e+00 3.72 -1.546539950e+00 3.74 -1.516866245e+00 3.76 -1.487812484e+00 3.78 -1.459362587e+00 3.80 -1.431500565e+00 3.82 -1.404227599e+00 3.84 -1.379023655e+00 3.86 -1.360753716e+00 3.88 -1.314541783e+00 3.90 -1.202148290e+00 3.92 -1.174152944e+00 3.94 -1.146707938e+00 3.96 -1.119807852e+00 3.98 -1.093446813e+00 4.00 -1.067618571e+00 4.02 -1.042316555e+00 4.04 -1.017533934e+00 4.06 -9.932636622e-01 4.08 -9.694985242e-01 4.10 -9.462311698e-01 4.12 -9.234541463e-01 4.14 -9.011599246e-01 4.16 -8.793409216e-01 4.18 -8.579895195e-01 4.20 -8.370980819e-01 4.22 -8.166589674e-01 4.24 -7.966645417e-01 4.26 -7.771071883e-01 4.28 -7.579793170e-01 4.30 -7.392733724e-01 4.32 -7.209818412e-01 4.34 -7.030972581e-01 4.36 -6.856122118e-01 4.38 -6.685193504e-01 4.40 -6.518113857e-01 4.42 -6.342723430e-01 4.44 -6.005764939e-01 4.46 -5.089862895e-01 4.48 -2.927554049e-01 4.50 -3.284826446e-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