# 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 = WZr2 # 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 4.248530837e+02 0.98 3.908997887e+02 1.00 3.604992206e+02 1.02 3.329937764e+02 1.04 3.084968178e+02 1.06 2.865140383e+02 1.08 2.664781958e+02 1.10 2.480124310e+02 1.12 2.316326926e+02 1.14 2.158657745e+02 1.16 2.006978764e+02 1.18 1.870442226e+02 1.20 1.743874841e+02 1.22 1.624064389e+02 1.24 1.515009752e+02 1.26 1.415144209e+02 1.28 1.322024389e+02 1.30 1.235576507e+02 1.32 1.156803023e+02 1.34 1.084732658e+02 1.36 1.015977727e+02 1.38 9.513855344e+01 1.40 8.900975803e+01 1.42 8.335265394e+01 1.44 7.814081042e+01 1.46 7.310546503e+01 1.48 6.822156516e+01 1.50 6.354692663e+01 1.52 5.912665837e+01 1.54 5.508094122e+01 1.56 5.137120605e+01 1.58 4.782375539e+01 1.60 4.437817703e+01 1.62 4.116366622e+01 1.64 3.825004167e+01 1.66 3.551329448e+01 1.68 3.284467848e+01 1.70 3.034983129e+01 1.72 2.815515686e+01 1.74 2.616122830e+01 1.76 2.423364861e+01 1.78 2.239447559e+01 1.80 2.067734983e+01 1.82 1.905168543e+01 1.84 1.758685744e+01 1.86 1.619212579e+01 1.88 1.487970175e+01 1.90 1.359817915e+01 1.92 1.238517652e+01 1.94 1.132956271e+01 1.96 1.043945254e+01 1.98 9.611255763e+00 2.00 8.765756548e+00 2.02 7.943286650e+00 2.04 7.206647414e+00 2.06 6.574245968e+00 2.08 6.027292290e+00 2.10 5.561627157e+00 2.12 5.161852080e+00 2.14 4.634498075e+00 2.16 4.106191790e+00 2.18 3.576027056e+00 2.20 3.036044455e+00 2.22 2.364746648e+00 2.24 1.570457919e+00 2.26 7.752669293e-01 2.28 -3.497070509e-03 2.30 -7.243178082e-01 2.32 -1.362074159e+00 2.34 -1.945176158e+00 2.36 -2.479705822e+00 2.38 -3.006906364e+00 2.40 -3.499123346e+00 2.42 -3.912742007e+00 2.44 -4.222467862e+00 2.46 -4.505684371e+00 2.48 -4.796026266e+00 2.50 -5.063063258e+00 2.52 -5.292282784e+00 2.54 -5.472301003e+00 2.56 -5.627227268e+00 2.58 -5.763466419e+00 2.60 -5.884527593e+00 2.62 -6.008371831e+00 2.64 -6.133247011e+00 2.66 -6.249319552e+00 2.68 -6.352072051e+00 2.70 -6.437439270e+00 2.72 -6.501521345e+00 2.74 -6.542720126e+00 2.76 -6.573563151e+00 2.78 -6.604731068e+00 2.80 -6.636985973e+00 2.82 -6.662988942e+00 2.84 -6.673342782e+00 2.86 -6.674237090e+00 2.88 -6.673737238e+00 2.90 -6.667643839e+00 2.92 -6.650738662e+00 2.94 -6.615603702e+00 2.96 -6.554677929e+00 2.98 -6.473451525e+00 3.00 -6.397178243e+00 3.02 -6.341274426e+00 3.04 -6.295368545e+00 3.06 -6.246995884e+00 3.08 -6.190533028e+00 3.10 -6.122577665e+00 3.12 -6.040015424e+00 3.14 -5.942757953e+00 3.16 -5.834922979e+00 3.18 -5.730717206e+00 3.20 -5.645191846e+00 3.22 -5.584968752e+00 3.24 -5.539609648e+00 3.26 -5.507370257e+00 3.28 -5.481188002e+00 3.30 -5.456247930e+00 3.32 -5.428866033e+00 3.34 -5.398316967e+00 3.36 -5.365391621e+00 3.38 -5.331008287e+00 3.40 -5.295904154e+00 3.42 -5.258955173e+00 3.44 -5.218383834e+00 3.46 -5.172330398e+00 3.48 -5.119146214e+00 3.50 -5.061774063e+00 3.52 -5.006915060e+00 3.54 -4.960824638e+00 3.56 -4.928874348e+00 3.58 -4.909310420e+00 3.60 -4.892944541e+00 3.62 -4.870272407e+00 3.64 -4.831993145e+00 3.66 -4.774414764e+00 3.68 -4.699904393e+00 3.70 -4.609007701e+00 3.72 -4.499819345e+00 3.74 -4.364135677e+00 3.76 -4.188003421e+00 3.78 -3.963840230e+00 3.80 -3.697563767e+00 3.82 -3.398836999e+00 3.84 -3.066687894e+00 3.86 -2.729325286e+00 3.88 -2.476628660e+00 3.90 -2.323743995e+00 3.92 -2.195177456e+00 3.94 -2.063513634e+00 3.96 -1.940470320e+00 3.98 -1.831282862e+00 4.00 -1.734318833e+00 4.02 -1.647212309e+00 4.04 -1.568355732e+00 4.06 -1.496678921e+00 4.08 -1.432120442e+00 4.10 -1.375145418e+00 4.12 -1.325629337e+00 4.14 -1.282960569e+00 4.16 -1.246438345e+00 4.18 -1.215322162e+00 4.20 -1.188844176e+00 4.22 -1.166316846e+00 4.24 -1.147299992e+00 4.26 -1.131452737e+00 4.28 -1.118446675e+00 4.30 -1.107954748e+00 4.32 -1.099648473e+00 4.34 -1.093185692e+00 4.36 -1.088140716e+00 4.38 -1.084055042e+00 4.40 -1.080489231e+00 4.42 -1.077018503e+00 4.44 -1.073235140e+00 4.46 -1.068825837e+00 4.48 -1.063735247e+00 4.50 -1.058251596e+00 4.52 -1.052708575e+00 4.54 -1.047417872e+00 4.56 -1.042667065e+00 4.58 -1.038554605e+00 4.60 -1.034962892e+00 4.62 -1.031749395e+00 4.64 -1.028735518e+00 4.66 -1.025745569e+00 4.68 -1.022628386e+00 4.70 -1.019339795e+00 4.72 -1.015918647e+00 4.74 -1.012399690e+00 4.76 -1.008638974e+00 4.78 -1.004383346e+00 4.80 -9.993748254e-01 4.82 -9.934015683e-01 4.84 -9.862797508e-01 4.86 -9.778011399e-01 4.88 -9.678257014e-01 4.90 -9.566697117e-01 4.92 -9.447815988e-01 4.94 -9.325831405e-01 4.96 -9.204946781e-01 4.98 -9.089291575e-01 5.00 -8.982750592e-01 5.02 -8.885594872e-01 5.04 -8.791873034e-01 5.06 -8.695499106e-01 5.08 -8.590260492e-01 5.10 -8.469766348e-01 5.12 -8.327371508e-01 5.14 -8.156937338e-01 5.16 -7.960294649e-01 5.18 -7.745368939e-01 5.20 -7.521400285e-01 5.22 -7.297610923e-01 5.24 -7.082740517e-01 5.26 -6.884852354e-01 5.28 -6.711170861e-01 5.30 -6.561836019e-01 5.32 -6.434833564e-01 5.34 -6.328388896e-01 5.36 -6.240928056e-01 5.38 -6.167381818e-01 5.40 -6.091959489e-01 5.42 -6.010663490e-01 5.44 -5.923669565e-01 5.46 -5.831433793e-01 5.48 -5.734465448e-01 5.50 -5.633398749e-01 5.52 -5.528981685e-01 5.54 -5.422007128e-01 5.56 -5.312635053e-01 5.58 -5.201081098e-01 5.60 -5.087389919e-01 5.62 -4.971196711e-01 5.64 -4.851900737e-01 5.66 -4.728616277e-01 5.68 -4.600867095e-01 5.70 -4.470154589e-01 5.72 -4.337214823e-01 5.74 -4.202444921e-01 5.76 -4.065883960e-01 5.78 -3.927175254e-01 5.80 -3.785379716e-01 5.82 -3.636171604e-01 5.84 -3.471516853e-01 5.86 -3.287626571e-01 5.88 -3.085203815e-01 5.90 -2.873798027e-01 5.92 -2.663179471e-01 5.94 -2.449965805e-01 5.96 -2.233421906e-01 5.98 -2.013479494e-01 6.00 -1.790305625e-01