# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2026--Starikov-S-Grigorev-P-Lee-S-H-et-al--W-Mo-Nb-Zr-Ti-Ta # implementation = 2026--Starikov-S--W-Mo-Nb-Zr-Ti-Ta--LAMMPS--ipr1 # composition = Ta2W # 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 2025-12-17 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 5.401091382e+02 0.98 4.808846349e+02 1.00 4.316974540e+02 1.02 3.920484609e+02 1.04 3.607172890e+02 1.06 3.341651143e+02 1.08 3.098319083e+02 1.10 2.872526158e+02 1.12 2.658455252e+02 1.14 2.459134403e+02 1.16 2.272037573e+02 1.18 2.099476029e+02 1.20 1.937528795e+02 1.22 1.784813684e+02 1.24 1.641445960e+02 1.26 1.506200260e+02 1.28 1.379799333e+02 1.30 1.264751347e+02 1.32 1.160533719e+02 1.34 1.066127106e+02 1.36 9.790774694e+01 1.38 8.994498011e+01 1.40 8.272190802e+01 1.42 7.601002892e+01 1.44 6.979853342e+01 1.46 6.414010691e+01 1.48 5.912401596e+01 1.50 5.465395930e+01 1.52 5.055196494e+01 1.54 4.672399202e+01 1.56 4.320694761e+01 1.58 4.001244456e+01 1.60 3.710160573e+01 1.62 3.443628098e+01 1.64 3.198576721e+01 1.66 2.975326928e+01 1.68 2.774191108e+01 1.70 2.588990182e+01 1.72 2.405957159e+01 1.74 2.206550827e+01 1.76 2.015592775e+01 1.78 1.836523367e+01 1.80 1.670763348e+01 1.82 1.517737728e+01 1.84 1.374699089e+01 1.86 1.239980447e+01 1.88 1.120667403e+01 1.90 1.016573021e+01 1.92 9.250810969e+00 1.94 8.399827992e+00 1.96 7.555298438e+00 1.98 6.686621817e+00 2.00 5.760562668e+00 2.02 4.873827898e+00 2.04 4.025613344e+00 2.06 3.244272856e+00 2.08 2.541747933e+00 2.10 1.896997623e+00 2.12 1.297632229e+00 2.14 7.297201929e-01 2.16 1.867481223e-01 2.18 -2.798614105e-01 2.20 -7.963516455e-01 2.22 -1.278333380e+00 2.24 -1.706313578e+00 2.26 -2.188004050e+00 2.28 -2.642585399e+00 2.30 -3.134330739e+00 2.32 -3.596002826e+00 2.34 -4.040783198e+00 2.36 -4.473298312e+00 2.38 -4.883954670e+00 2.40 -5.256664765e+00 2.42 -5.590165876e+00 2.44 -5.888634109e+00 2.46 -6.148879712e+00 2.48 -6.373330939e+00 2.50 -6.568857155e+00 2.52 -6.753506636e+00 2.54 -6.933380343e+00 2.56 -7.096406509e+00 2.58 -7.243498983e+00 2.60 -7.366238946e+00 2.62 -7.457663255e+00 2.64 -7.516881010e+00 2.66 -7.548440110e+00 2.68 -7.561192519e+00 2.70 -7.568959003e+00 2.72 -7.564348424e+00 2.74 -7.555501553e+00 2.76 -7.540822196e+00 2.78 -7.511794750e+00 2.80 -7.482317669e+00 2.82 -7.449187185e+00 2.84 -7.416098131e+00 2.86 -7.385774210e+00 2.88 -7.355121783e+00 2.90 -7.324078137e+00 2.92 -7.289993738e+00 2.94 -7.244811207e+00 2.96 -7.180751174e+00 2.98 -7.095240241e+00 3.00 -6.998656222e+00 3.02 -6.904887346e+00 3.04 -6.828479105e+00 3.06 -6.767864920e+00 3.08 -6.711249483e+00 3.10 -6.648427638e+00 3.12 -6.564797093e+00 3.14 -6.463853168e+00 3.16 -6.355460223e+00 3.18 -6.252375753e+00 3.20 -6.165152620e+00 3.22 -6.090648560e+00 3.24 -6.025581891e+00 3.26 -5.962949068e+00 3.28 -5.901269835e+00 3.30 -5.839864995e+00 3.32 -5.778013035e+00 3.34 -5.716479892e+00 3.36 -5.656811024e+00 3.38 -5.600636284e+00 3.40 -5.549229532e+00 3.42 -5.500590903e+00 3.44 -5.451094164e+00 3.46 -5.397029565e+00 3.48 -5.334984768e+00 3.50 -5.267127733e+00 3.52 -5.199953383e+00 3.54 -5.140389514e+00 3.56 -5.094947191e+00 3.58 -5.061876650e+00 3.60 -5.031348635e+00 3.62 -4.993460149e+00 3.64 -4.938614368e+00 3.66 -4.862872683e+00 3.68 -4.770347943e+00 3.70 -4.665438251e+00 3.72 -4.552319701e+00 3.74 -4.434381259e+00 3.76 -4.314905319e+00 3.78 -4.199383120e+00 3.80 -4.090274064e+00 3.82 -3.960474819e+00 3.84 -3.773275317e+00 3.86 -3.543980736e+00 3.88 -3.332329925e+00 3.90 -3.147688339e+00 3.92 -2.966444975e+00 3.94 -2.793778802e+00 3.96 -2.642385728e+00 3.98 -2.514424252e+00 4.00 -2.403585027e+00 4.02 -2.303168698e+00 4.04 -2.209251393e+00 4.06 -2.119160810e+00 4.08 -2.031644716e+00 4.10 -1.947043802e+00 4.12 -1.866644329e+00 4.14 -1.792058198e+00 4.16 -1.724875723e+00 4.18 -1.666709312e+00 4.20 -1.619076736e+00 4.22 -1.582032943e+00 4.24 -1.554181809e+00 4.26 -1.533771255e+00 4.28 -1.518990190e+00 4.30 -1.507978840e+00 4.32 -1.498832744e+00 4.34 -1.489885807e+00 4.36 -1.481073822e+00 4.38 -1.472856962e+00 4.40 -1.465665001e+00 4.42 -1.459895468e+00 4.44 -1.455920496e+00 4.46 -1.453349103e+00 4.48 -1.450631287e+00 4.50 -1.447614355e+00 4.52 -1.444359328e+00 4.54 -1.440928641e+00 4.56 -1.437397311e+00 4.58 -1.434565503e+00 4.60 -1.434322507e+00 4.62 -1.437091655e+00 4.64 -1.441826498e+00 4.66 -1.447407344e+00 4.68 -1.452700676e+00 4.70 -1.456339702e+00 4.72 -1.456718664e+00 4.74 -1.452522956e+00 4.76 -1.444398078e+00 4.78 -1.433877501e+00 4.80 -1.422464681e+00 4.82 -1.411237647e+00 4.84 -1.401021510e+00 4.86 -1.392634165e+00 4.88 -1.386383093e+00 4.90 -1.381087321e+00 4.92 -1.375345982e+00 4.94 -1.368249995e+00 4.96 -1.359050062e+00 4.98 -1.346966026e+00 5.00 -1.331209233e+00 5.02 -1.311812048e+00 5.04 -1.289670562e+00 5.06 -1.265233415e+00 5.08 -1.238845342e+00 5.10 -1.210936096e+00 5.12 -1.182088514e+00 5.14 -1.152978218e+00 5.16 -1.123477618e+00 5.18 -1.093217277e+00 5.20 -1.061796812e+00 5.22 -1.028730444e+00 5.24 -9.934118170e-01 5.26 -9.551660074e-01 5.28 -9.139863719e-01 5.30 -8.709536032e-01 5.32 -8.273014446e-01 5.34 -7.850117374e-01 5.36 -7.465975141e-01 5.38 -7.131952158e-01 5.40 -6.814490582e-01 5.42 -6.506520763e-01 5.44 -6.190890240e-01 5.46 -5.860114657e-01 5.48 -5.518715349e-01 5.50 -5.181311250e-01 5.52 -4.869667596e-01 5.54 -4.607680235e-01 5.56 -4.403962441e-01 5.58 -4.249636804e-01 5.60 -4.129981543e-01 5.62 -4.027354585e-01 5.64 -3.923057090e-01 5.66 -3.798344588e-01 5.68 -3.639711583e-01 5.70 -3.459430737e-01 5.72 -3.279057597e-01 5.74 -3.120053798e-01 5.76 -3.003522710e-01 5.78 -2.949932478e-01 5.80 -2.978445263e-01 5.82 -3.092394937e-01 5.84 -3.262122816e-01 5.86 -3.455458394e-01 5.88 -3.642982891e-01 5.90 -3.797508730e-01 5.92 -3.892850357e-01 5.94 -3.903132146e-01 5.96 -3.820718055e-01 5.98 -3.657980357e-01 6.00 -3.424835605e-01