# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = Co2Ni # 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 2024-04-11 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 nan 0.86 nan 0.88 nan 0.90 nan 0.92 nan 0.94 nan 0.96 nan 0.98 nan 1.00 nan 1.02 nan 1.04 nan 1.06 nan 1.08 nan 1.10 nan 1.12 nan 1.14 1.496140633e+02 1.16 1.365107841e+02 1.18 1.245439739e+02 1.20 1.136081717e+02 1.22 1.036084207e+02 1.24 9.445968499e+01 1.26 8.608657079e+01 1.28 7.842174510e+01 1.30 7.140356888e+01 1.32 6.497458740e+01 1.34 5.908177110e+01 1.36 5.367745559e+01 1.38 4.871949122e+01 1.40 4.417056823e+01 1.42 3.999721253e+01 1.44 3.616866852e+01 1.46 3.265613937e+01 1.48 2.943432197e+01 1.50 2.648027300e+01 1.52 2.377133812e+01 1.54 2.128704031e+01 1.56 1.900888095e+01 1.58 1.692006819e+01 1.60 1.500522923e+01 1.62 1.325024174e+01 1.64 1.164217438e+01 1.66 1.016922790e+01 1.68 8.820654498e+00 1.70 7.586671317e+00 1.72 6.458317505e+00 1.74 5.427238985e+00 1.76 4.485512750e+00 1.78 3.625644912e+00 1.80 2.840739773e+00 1.82 2.124685414e+00 1.84 1.472192927e+00 1.86 8.786499203e-01 1.88 3.398668164e-01 1.90 -1.481701423e-01 1.92 -5.894494654e-01 1.94 -9.879462990e-01 1.96 -1.347514665e+00 1.98 -1.671734737e+00 2.00 -1.963798681e+00 2.02 -2.226476463e+00 2.04 -2.462154251e+00 2.06 -2.672912972e+00 2.08 -2.860612084e+00 2.10 -3.026955557e+00 2.12 -3.173532828e+00 2.14 -3.301837200e+00 2.16 -3.413266963e+00 2.18 -3.509147686e+00 2.20 -3.590786727e+00 2.22 -3.659097884e+00 2.24 -3.714908587e+00 2.26 -3.759031220e+00 2.28 -3.792292068e+00 2.30 -3.815558800e+00 2.32 -3.829734408e+00 2.34 -3.835561332e+00 2.36 -3.833706911e+00 2.38 -3.824871098e+00 2.40 -3.809600757e+00 2.42 -3.788290750e+00 2.44 -3.761312778e+00 2.46 -3.729020985e+00 2.48 -3.691762999e+00 2.50 -3.649889657e+00 2.52 -3.603757921e+00 2.54 -3.553729336e+00 2.56 -3.500168811e+00 2.58 -3.443444997e+00 2.60 -3.383928998e+00 2.62 -3.321987939e+00 2.64 -3.257974435e+00 2.66 -3.192217665e+00 2.68 -3.125021759e+00 2.70 -3.056672483e+00 2.72 -2.987447626e+00 2.74 -2.917624177e+00 2.76 -2.847477306e+00 2.78 -2.777270607e+00 2.80 -2.707241453e+00 2.82 -2.637587346e+00 2.84 -2.568458243e+00 2.86 -2.499956951e+00 2.88 -2.432146730e+00 2.90 -2.365063546e+00 2.92 -2.298730232e+00 2.94 -2.233170495e+00 2.96 -2.168421336e+00 2.98 -2.104542578e+00 3.00 -2.041621985e+00 3.02 -1.979774313e+00 3.04 -1.919133376e+00 3.06 -1.859837895e+00 3.08 -1.802014189e+00 3.10 -1.745760237e+00 3.12 -1.691135385e+00 3.14 -1.638157847e+00 3.16 -1.586809392e+00 3.18 -1.537044622e+00 3.20 -1.488801687e+00 3.22 -1.442011969e+00 3.24 -1.396607404e+00 3.26 -1.352525128e+00 3.28 -1.309709785e+00 3.30 -1.268114075e+00 3.32 -1.227698147e+00 3.34 -1.188428351e+00 3.36 -1.150275723e+00 3.38 -1.113214473e+00 3.40 -1.077220640e+00 3.42 -1.042271003e+00 3.44 -1.008342284e+00 3.46 -9.754106419e-01 3.48 -9.434514313e-01 3.50 -9.124391858e-01 3.52 -8.823477742e-01 3.54 -8.531506734e-01 3.56 -8.248213012e-01 3.58 -7.973333551e-01 3.60 -7.706611148e-01 3.62 -7.447796768e-01 3.64 -7.196651102e-01 3.66 -6.952945328e-01 3.68 -6.716461210e-01 3.70 -6.486990693e-01 3.72 -6.264335147e-01 3.74 -6.048304352e-01 3.76 -5.838715278e-01 3.78 -5.635390642e-01 3.80 -5.438157256e-01 3.82 -5.246844163e-01 3.84 -5.061280619e-01 3.86 -4.881294016e-01 3.88 -4.706707853e-01 3.90 -4.537339879e-01 3.92 -4.373000522e-01 3.94 -4.213491689e-01 3.96 -4.058606022e-01 3.98 -3.908126678e-01 4.00 -3.761827708e-01 4.02 -3.619475124e-01 4.04 -3.480828771e-01 4.06 -3.345645131e-01 4.08 -3.213681195e-01 4.10 -3.084699512e-01 4.12 -2.958474451e-01 4.14 -2.834799556e-01 4.16 -2.713495712e-01 4.18 -2.594419529e-01 4.20 -2.477471123e-01 4.22 -2.362600214e-01 4.24 -2.249809433e-01 4.26 -2.139153897e-01 4.28 -2.030736604e-01 4.30 -1.924699938e-01 4.32 -1.821214389e-01 4.34 -1.720466217e-01 4.36 -1.622645997e-01 4.38 -1.527939582e-01 4.40 -1.436522239e-01 4.42 -1.348555607e-01 4.44 -1.264186350e-01 4.46 -1.183544930e-01 4.48 -1.106743167e-01 4.50 -1.033869875e-01 4.52 -9.649847610e-02 4.54 -9.001114970e-02 4.56 -8.392313548e-02 4.58 -7.822787427e-02 4.60 -7.291397442e-02 4.62 -6.796540644e-02 4.64 -6.336200046e-02 4.66 -5.907984076e-02 4.68 -5.509326600e-02 4.70 -5.137537844e-02 4.72 -4.789881714e-02 4.74 -4.463677732e-02 4.76 -4.156389903e-02 4.78 -3.865700827e-02 4.80 -3.589570620e-02 4.82 -3.326280768e-02 4.84 -3.074462678e-02 4.86 -2.833110707e-02 4.88 -2.601578651e-02 4.90 -2.379558880e-02 4.92 -2.167043870e-02 4.94 -1.964271115e-02 4.96 -1.771654287e-02 4.98 -1.589705331e-02 5.00 -1.418954125e-02 5.02 -1.259873034e-02 5.04 -1.112813203e-02 5.06 -9.779580488e-03 5.08 -8.552820145e-03 5.10 -7.445643959e-03 5.12 -6.454245256e-03 5.14 -5.573121610e-03 5.16 -4.795435921e-03 5.18 -4.113416802e-03 5.20 -3.518750206e-03 5.22 -3.002930854e-03 5.24 -2.557554827e-03 5.26 -2.174545884e-03 5.28 -1.846316602e-03 5.30 -1.565870967e-03 5.32 -1.326858013e-03 5.34 -1.123587014e-03 5.36 -9.510143022e-04 5.38 -8.047105551e-04 5.40 -6.808158374e-04 5.42 -5.759880870e-04 5.44 -4.873492464e-04 5.46 -4.124319999e-04 5.48 -3.491290654e-04 5.50 -2.956462180e-04 5.52 -2.504596515e-04 5.54 -2.122778844e-04 5.56 -1.800081447e-04 5.58 -1.527269990e-04 5.60 -1.296548947e-04 5.62 -1.101342337e-04 5.64 -9.361058754e-05 5.66 -7.961667142e-05 5.68 -6.775871940e-05 5.70 -5.770493290e-05 5.72 -4.917570939e-05 5.74 -4.193539140e-05 5.76 -3.578530922e-05 5.78 -3.055792097e-05 5.80 -2.611188071e-05 5.82 -2.232789035e-05 5.84 -1.910521197e-05 5.86 -1.635873610e-05 5.88 -1.401651768e-05 5.90 -1.201770479e-05 5.92 -1.031079758e-05 5.94 -8.852184257e-06 5.96 -7.604909679e-06 5.98 -6.537639358e-06 6.00 -5.623787385e-06