# 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 = NbW2 # 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 2.545568510e+02 0.98 2.333512723e+02 1.00 2.143494465e+02 1.02 1.975474793e+02 1.04 1.829724551e+02 1.06 1.699922886e+02 1.08 1.584218590e+02 1.10 1.469932132e+02 1.12 1.368451602e+02 1.14 1.277466488e+02 1.16 1.202603485e+02 1.18 1.131245458e+02 1.20 1.056648319e+02 1.22 9.948051176e+01 1.24 9.430415823e+01 1.26 8.939731938e+01 1.28 8.539876597e+01 1.30 8.189085590e+01 1.32 7.809427895e+01 1.34 7.427967852e+01 1.36 7.082606150e+01 1.38 6.830357019e+01 1.40 6.588163159e+01 1.42 6.299283199e+01 1.44 6.001273607e+01 1.46 5.710952844e+01 1.48 5.468959493e+01 1.50 5.250072424e+01 1.52 4.997050332e+01 1.54 4.744891602e+01 1.56 4.491506309e+01 1.58 4.239767497e+01 1.60 4.001339892e+01 1.62 3.779465990e+01 1.64 3.551609586e+01 1.66 3.322304901e+01 1.68 3.109221423e+01 1.70 2.906763873e+01 1.72 2.710050535e+01 1.74 2.522743898e+01 1.76 2.351152120e+01 1.78 2.205337616e+01 1.80 2.082061048e+01 1.82 1.942619097e+01 1.84 1.798803483e+01 1.86 1.667468308e+01 1.88 1.544070518e+01 1.90 1.423258721e+01 1.92 1.300494338e+01 1.94 1.176225926e+01 1.96 1.053331952e+01 1.98 9.416808168e+00 2.00 8.507380938e+00 2.02 7.825849732e+00 2.04 7.321062961e+00 2.06 6.742477459e+00 2.08 5.913428816e+00 2.10 5.039536116e+00 2.12 3.890218214e+00 2.14 2.766277357e+00 2.16 1.829815207e+00 2.18 1.023043377e+00 2.20 2.739294633e-01 2.22 -4.258450828e-01 2.24 -1.042325221e+00 2.26 -1.573738280e+00 2.28 -2.061359474e+00 2.30 -2.735483742e+00 2.32 -3.427283111e+00 2.34 -4.111741676e+00 2.36 -4.741254488e+00 2.38 -5.281406250e+00 2.40 -5.701534043e+00 2.42 -5.932887345e+00 2.44 -5.989987583e+00 2.46 -6.061306881e+00 2.48 -6.203690552e+00 2.50 -6.351188389e+00 2.52 -6.476530568e+00 2.54 -6.571469259e+00 2.56 -6.708796201e+00 2.58 -6.836809850e+00 2.60 -6.952023696e+00 2.62 -7.023993694e+00 2.64 -7.078523508e+00 2.66 -7.115988745e+00 2.68 -7.134298141e+00 2.70 -7.142556980e+00 2.72 -7.141149130e+00 2.74 -7.134002361e+00 2.76 -7.127468432e+00 2.78 -7.123864286e+00 2.80 -7.117817132e+00 2.82 -7.101405849e+00 2.84 -7.066034010e+00 2.86 -7.013592592e+00 2.88 -6.957424069e+00 2.90 -6.910077134e+00 2.92 -6.869810630e+00 2.94 -6.834381609e+00 2.96 -6.790064481e+00 2.98 -6.731566843e+00 3.00 -6.674617642e+00 3.02 -6.641605624e+00 3.04 -6.650175901e+00 3.06 -6.693313429e+00 3.08 -6.740720549e+00 3.10 -6.762036875e+00 3.12 -6.732817105e+00 3.14 -6.649901624e+00 3.16 -6.517280260e+00 3.18 -6.342399048e+00 3.20 -6.150071796e+00 3.22 -5.982031771e+00 3.24 -5.881000667e+00 3.26 -5.813353414e+00 3.28 -5.738824507e+00 3.30 -5.675627720e+00 3.32 -5.607103242e+00 3.34 -5.512003520e+00 3.36 -5.318851805e+00 3.38 -5.109592412e+00 3.40 -4.920894096e+00 3.42 -4.758501058e+00 3.44 -4.615112914e+00 3.46 -4.480967577e+00 3.48 -4.345710048e+00 3.50 -4.209721617e+00 3.52 -4.082954021e+00 3.54 -3.980169886e+00 3.56 -3.920718466e+00 3.58 -3.905083950e+00 3.60 -3.912339142e+00 3.62 -3.919223043e+00 3.64 -3.902513586e+00 3.66 -3.855888752e+00 3.68 -3.793896568e+00 3.70 -3.730731262e+00 3.72 -3.681817838e+00 3.74 -3.653810935e+00 3.76 -3.635464035e+00 3.78 -3.613244144e+00 3.80 -3.572507007e+00 3.82 -3.508947459e+00 3.84 -3.425617023e+00 3.86 -3.315220216e+00 3.88 -3.185944681e+00 3.90 -3.044936531e+00 3.92 -2.901274974e+00 3.94 -2.757279470e+00 3.96 -2.620583298e+00 3.98 -2.502962099e+00 4.00 -2.399483547e+00 4.02 -2.304260365e+00 4.04 -2.223063507e+00 4.06 -2.164125184e+00 4.08 -2.128100004e+00 4.10 -2.107118679e+00 4.12 -2.076990971e+00 4.14 -2.024969367e+00 4.16 -1.952238936e+00 4.18 -1.868621800e+00 4.20 -1.795345439e+00 4.22 -1.741487257e+00 4.24 -1.696767743e+00 4.26 -1.684777350e+00 4.28 -1.719732727e+00 4.30 -1.790528495e+00 4.32 -1.859913756e+00 4.34 -1.939414914e+00 4.36 -2.023976228e+00 4.38 -2.100690536e+00 4.40 -2.162241430e+00 4.42 -2.207036807e+00 4.44 -2.236000435e+00 4.46 -2.251547312e+00 4.48 -2.257663330e+00 4.50 -2.258328858e+00 4.52 -2.256305792e+00 4.54 -2.253671329e+00 4.56 -2.252240024e+00 4.58 -2.253284109e+00 4.60 -2.257312890e+00 4.62 -2.263700480e+00 4.64 -2.270103785e+00 4.66 -2.273394869e+00 4.68 -2.269924557e+00 4.70 -2.256894638e+00 4.72 -2.232989495e+00 4.74 -2.197721804e+00 4.76 -2.153760654e+00 4.78 -2.105583799e+00 4.80 -2.057902900e+00 4.82 -2.013312425e+00 4.84 -1.971969699e+00 4.86 -1.933713361e+00 4.88 -1.897311605e+00 4.90 -1.858032723e+00 4.92 -1.812255122e+00 4.94 -1.763926303e+00 4.96 -1.720326604e+00 4.98 -1.685087325e+00 5.00 -1.655518031e+00 5.02 -1.637760571e+00 5.04 -1.640765742e+00 5.06 -1.657052450e+00 5.08 -1.675888221e+00 5.10 -1.691643579e+00 5.12 -1.698795466e+00 5.14 -1.688238522e+00 5.16 -1.655083233e+00 5.18 -1.606633113e+00 5.20 -1.548713467e+00 5.22 -1.478950747e+00 5.24 -1.396901653e+00 5.26 -1.316582434e+00 5.28 -1.257989178e+00 5.30 -1.224882637e+00 5.32 -1.211138612e+00 5.34 -1.207207180e+00 5.36 -1.202995363e+00 5.38 -1.191052706e+00 5.40 -1.175416154e+00 5.42 -1.157390872e+00 5.44 -1.137552936e+00 5.46 -1.116127216e+00 5.48 -1.092744183e+00 5.50 -1.067104814e+00 5.52 -1.039288953e+00 5.54 -1.009900985e+00 5.56 -9.791072155e-01 5.58 -9.462451480e-01 5.60 -9.102940868e-01 5.62 -8.699297735e-01 5.64 -8.232531157e-01 5.66 -7.675314688e-01 5.68 -6.997064938e-01 5.70 -6.211978604e-01 5.72 -5.371543122e-01 5.74 -4.559418410e-01 5.76 -3.916269163e-01 5.78 -3.557297856e-01 5.80 -3.586405860e-01 5.82 -4.029780044e-01 5.84 -4.754732683e-01 5.86 -5.572446857e-01 5.88 -6.330677721e-01 5.90 -6.942456180e-01 5.92 -7.352662215e-01 5.94 -7.510997410e-01 5.96 -7.400113228e-01 5.98 -7.033902600e-01 6.00 -6.416700085e-01