# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Ni-W # implementation = 2025--Sharifi-H--Ni-W--LAMMPS--ipr1 # composition = NiW2 # 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 2025-07-01 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 1.906504255e+03 0.92 1.753022772e+03 0.94 1.613322465e+03 0.96 1.486007054e+03 0.98 1.369839986e+03 1.00 1.263723905e+03 1.02 1.166700310e+03 1.04 1.075080837e+03 1.06 9.853023073e+02 1.08 8.989339355e+02 1.10 8.170681146e+02 1.12 7.401438613e+02 1.14 6.671279595e+02 1.16 5.985902581e+02 1.18 5.350899822e+02 1.20 4.768666801e+02 1.22 4.239324744e+02 1.24 3.761422361e+02 1.26 3.332465423e+02 1.28 2.949312299e+02 1.30 2.608465728e+02 1.32 2.306284686e+02 1.34 2.039134923e+02 1.36 1.803492904e+02 1.38 1.596014451e+02 1.40 1.413577042e+02 1.42 1.253302682e+02 1.44 1.112566618e+02 1.46 9.889960589e+01 1.48 8.804619493e+01 1.50 7.850661759e+01 1.52 7.011260066e+01 1.54 6.271570014e+01 1.56 5.618553828e+01 1.58 5.040805322e+01 1.60 4.528381051e+01 1.62 4.072640470e+01 1.64 3.666096833e+01 1.66 3.302279834e+01 1.68 2.975610652e+01 1.70 2.681289037e+01 1.72 2.415192107e+01 1.74 2.173784335e+01 1.76 1.954037783e+01 1.78 1.753361895e+01 1.80 1.569542062e+01 1.82 1.400686141e+01 1.84 1.245177528e+01 1.86 1.101634712e+01 1.88 9.688764280e+00 1.90 8.458917186e+00 1.92 7.318142517e+00 1.94 6.259003613e+00 1.96 5.275103252e+00 1.98 4.360909373e+00 2.00 3.511566534e+00 2.02 2.722774173e+00 2.04 1.990707703e+00 2.06 1.311949863e+00 2.08 6.833843664e-01 2.10 1.020758608e-01 2.12 -4.347545253e-01 2.14 -9.297369314e-01 2.16 -1.385360388e+00 2.18 -1.803980065e+00 2.20 -2.187824140e+00 2.22 -2.539000317e+00 2.24 -2.859502030e+00 2.26 -3.151214314e+00 2.28 -3.415919389e+00 2.30 -3.655301966e+00 2.32 -3.870954273e+00 2.34 -4.064380842e+00 2.36 -4.237003044e+00 2.38 -4.390163375e+00 2.40 -4.525128224e+00 2.42 -4.643091530e+00 2.44 -4.745180588e+00 2.46 -4.832459638e+00 2.48 -4.905933108e+00 2.50 -4.966548702e+00 2.52 -5.015200338e+00 2.54 -5.052730943e+00 2.56 -5.079935111e+00 2.58 -5.097561635e+00 2.60 -5.106315904e+00 2.62 -5.106862202e+00 2.64 -5.099825869e+00 2.66 -5.085795380e+00 2.68 -5.065324301e+00 2.70 -5.038933161e+00 2.72 -5.007111226e+00 2.74 -4.970318183e+00 2.76 -4.928985743e+00 2.78 -4.883519162e+00 2.80 -4.834298682e+00 2.82 -4.781680907e+00 2.84 -4.726000101e+00 2.86 -4.667569423e+00 2.88 -4.606682100e+00 2.90 -4.543612536e+00 2.92 -4.478617367e+00 2.94 -4.411936459e+00 2.96 -4.343793856e+00 2.98 -4.274398675e+00 3.00 -4.203945956e+00 3.02 -4.132617468e+00 3.04 -4.060582468e+00 3.06 -3.987998424e+00 3.08 -3.915011694e+00 3.10 -3.841758173e+00 3.12 -3.768363905e+00 3.14 -3.694945654e+00 3.16 -3.621611453e+00 3.18 -3.548461118e+00 3.20 -3.475586733e+00 3.22 -3.403073112e+00 3.24 -3.330998229e+00 3.26 -3.259433631e+00 3.28 -3.188444821e+00 3.30 -3.118091626e+00 3.32 -3.048428539e+00 3.34 -2.979505045e+00 3.36 -2.911365928e+00 3.38 -2.844051556e+00 3.40 -2.777598159e+00 3.42 -2.712038085e+00 3.44 -2.647400041e+00 3.46 -2.583709322e+00 3.48 -2.520988030e+00 3.50 -2.459255277e+00 3.52 -2.398527375e+00 3.54 -2.338818023e+00 3.56 -2.280138471e+00 3.58 -2.222497692e+00 3.60 -2.165902524e+00 3.62 -2.110357825e+00 3.64 -2.055866601e+00 3.66 -2.002430140e+00 3.68 -1.950048133e+00 3.70 -1.898718786e+00 3.72 -1.848438935e+00 3.74 -1.799204141e+00 3.76 -1.751008793e+00 3.78 -1.703846198e+00 3.80 -1.657708666e+00 3.82 -1.612587593e+00 3.84 -1.568473540e+00 3.86 -1.525356304e+00 3.88 -1.483224986e+00 3.90 -1.442068059e+00 3.92 -1.401873425e+00 3.94 -1.362628478e+00 3.96 -1.324320155e+00 3.98 -1.286934988e+00 4.00 -1.250459152e+00 4.02 -1.214878511e+00 4.04 -1.180178662e+00 4.06 -1.146344970e+00 4.08 -1.113362614e+00 4.10 -1.081216613e+00 4.12 -1.049891867e+00 4.14 -1.019373181e+00 4.16 -9.896453004e-01 4.18 -9.606929328e-01 4.20 -9.325007753e-01 4.22 -9.050535374e-01 4.24 -8.783359629e-01 4.26 -8.520457076e-01 4.28 -8.204785968e-01 4.30 -7.688611617e-01 4.32 -6.952056130e-01 4.34 -6.603615450e-01 4.36 -6.411691583e-01 4.38 -6.224847825e-01 4.40 -6.042974648e-01 4.42 -5.865963524e-01 4.44 -5.693707008e-01 4.46 -5.526098810e-01 4.48 -5.363033863e-01 4.50 -5.204408378e-01 4.52 -5.050119905e-01 4.54 -4.900067374e-01 4.56 -4.754151142e-01 4.58 -4.612273025e-01 4.60 -4.474336337e-01 4.62 -4.340245913e-01 4.64 -4.209908133e-01 4.66 -4.083230944e-01 4.68 -3.960123877e-01 4.70 -3.840498053e-01 4.72 -3.724266203e-01 4.74 -3.611342664e-01 4.76 -3.501643389e-01 4.78 -3.395085947e-01 4.80 -3.291589520e-01 4.82 -3.191074901e-01 4.84 -3.093464489e-01 4.86 -2.998682280e-01 4.88 -2.906653857e-01 4.90 -2.817306382e-01 4.92 -2.722520173e-01 4.94 -2.522749553e-01 4.96 -1.984668229e-01 4.98 -9.364771977e-02 5.00 -2.246225845e-23 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