# 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 = TiW2 # 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 4.839362307e+02 1.16 4.446470590e+02 1.18 4.086989827e+02 1.20 3.757945669e+02 1.22 3.456586621e+02 1.24 3.180372482e+02 1.26 2.926981729e+02 1.28 2.694324128e+02 1.30 2.480524710e+02 1.32 2.283878336e+02 1.34 2.102810840e+02 1.36 1.935872464e+02 1.38 1.781754511e+02 1.40 1.639304812e+02 1.42 1.507526314e+02 1.44 1.385559291e+02 1.46 1.272655347e+02 1.48 1.168150377e+02 1.50 1.071442682e+02 1.52 9.819798736e+01 1.54 8.992530544e+01 1.56 8.227939462e+01 1.58 7.521712230e+01 1.60 6.869845630e+01 1.62 6.268575430e+01 1.64 5.714312889e+01 1.66 5.203597343e+01 1.68 4.733067949e+01 1.70 4.299462095e+01 1.72 3.899646660e+01 1.74 3.530674274e+01 1.76 3.189840565e+01 1.78 2.874795167e+01 1.80 2.583536236e+01 1.82 2.314197343e+01 1.84 2.065169380e+01 1.86 1.835092231e+01 1.88 1.622763632e+01 1.90 1.427106401e+01 1.92 1.247126974e+01 1.94 1.081877917e+01 1.96 9.304357147e+00 1.98 7.918923897e+00 2.00 6.653534714e+00 2.02 5.499353733e+00 2.04 4.447609420e+00 2.06 3.489567491e+00 2.08 2.616563087e+00 2.10 1.820108913e+00 2.12 1.092067150e+00 2.14 4.248531735e-01 2.16 -1.883674468e-01 2.18 -7.535302227e-01 2.20 -1.275605447e+00 2.22 -1.758630037e+00 2.24 -2.205826075e+00 2.26 -2.619773586e+00 2.28 -3.002596085e+00 2.30 -3.356121711e+00 2.32 -3.681997481e+00 2.34 -3.981751720e+00 2.36 -4.256809155e+00 2.38 -4.508294004e+00 2.40 -4.737604677e+00 2.42 -4.946184321e+00 2.44 -5.135365077e+00 2.46 -5.306384209e+00 2.48 -5.460390671e+00 2.50 -5.598444430e+00 2.52 -5.721494008e+00 2.54 -5.829952492e+00 2.56 -5.923773744e+00 2.58 -6.002961481e+00 2.60 -6.067569390e+00 2.62 -6.117687808e+00 2.64 -6.153440608e+00 2.66 -6.174987689e+00 2.68 -6.182530767e+00 2.70 -6.176318591e+00 2.72 -6.156650086e+00 2.74 -6.123874631e+00 2.76 -6.078410416e+00 2.78 -6.020750286e+00 2.80 -5.951322596e+00 2.82 -5.870606050e+00 2.84 -5.779145771e+00 2.86 -5.677564049e+00 2.88 -5.566576305e+00 2.90 -5.447009868e+00 2.92 -5.319820863e+00 2.94 -5.186045209e+00 2.96 -5.046772961e+00 2.98 -4.903239737e+00 3.00 -4.756799361e+00 3.02 -4.608866690e+00 3.04 -4.460844707e+00 3.06 -4.314043681e+00 3.08 -4.169603819e+00 3.10 -4.028433799e+00 3.12 -3.891174607e+00 3.14 -3.758192933e+00 3.16 -3.629599973e+00 3.18 -3.505290414e+00 3.20 -3.384991213e+00 3.22 -3.268313083e+00 3.24 -3.154799116e+00 3.26 -3.043967593e+00 3.28 -2.935347955e+00 3.30 -2.828510110e+00 3.32 -2.723087740e+00 3.34 -2.618796316e+00 3.36 -2.515446243e+00 3.38 -2.412951222e+00 3.40 -2.311331569e+00 3.42 -2.210712224e+00 3.44 -2.111314874e+00 3.46 -2.013444572e+00 3.48 -1.917471010e+00 3.50 -1.823805546e+00 3.52 -1.732875445e+00 3.54 -1.645097147e+00 3.56 -1.560850660e+00 3.58 -1.480457177e+00 3.60 -1.404161861e+00 3.62 -1.332123254e+00 3.64 -1.264409998e+00 3.66 -1.201004558e+00 3.68 -1.141812744e+00 3.70 -1.086677161e+00 3.72 -1.035392538e+00 3.74 -9.877210752e-01 3.76 -9.434064443e-01 3.78 -9.021856039e-01 3.80 -8.637981167e-01 3.82 -8.279930052e-01 3.84 -7.945334134e-01 3.86 -7.631994466e-01 3.88 -7.337895805e-01 3.90 -7.061210049e-01 3.92 -6.800292144e-01 3.94 -6.553670982e-01 3.96 -6.320037265e-01 3.98 -6.098229767e-01 4.00 -5.887221068e-01 4.02 -5.686103456e-01 4.04 -5.494075454e-01 4.06 -5.310429298e-01 4.08 -5.134539484e-01 4.10 -4.965849938e-01 4.12 -4.803869835e-01 4.14 -4.648164371e-01 4.16 -4.498346221e-01 4.18 -4.354068130e-01 4.20 -4.215017987e-01 4.22 -4.080914406e-01 4.24 -3.951502795e-01 4.26 -3.826551927e-01 4.28 -3.705850947e-01 4.30 -3.589206782e-01 4.32 -3.476441904e-01 4.34 -3.367392406e-01 4.36 -3.261906348e-01 4.38 -3.159842329e-01 4.40 -3.061068268e-01 4.42 -2.965460349e-01 4.44 -2.872902121e-01 4.46 -2.783283714e-01 4.48 -2.696501172e-01 4.50 -2.612455872e-01 4.52 -2.531054026e-01 4.54 -2.452206243e-01 4.56 -2.375827150e-01 4.58 -2.301835070e-01 4.60 -2.230151723e-01 4.62 -2.160701981e-01 4.64 -2.093413634e-01 4.66 -2.028217200e-01 4.68 -1.965045738e-01 4.70 -1.903834690e-01 4.72 -1.844521738e-01 4.74 -1.787046665e-01 4.76 -1.731351241e-01 4.78 -1.677379103e-01 4.80 -1.625075092e-01 4.82 -1.574387491e-01 4.84 -1.525264269e-01 4.86 -1.477655547e-01 4.88 -1.431512843e-01 4.90 -1.386788985e-01 4.92 -1.343438025e-01 4.94 -1.301415161e-01 4.96 -1.260676654e-01 4.98 -1.221179746e-01 5.00 -1.182882575e-01 5.02 -1.145744094e-01 5.04 -1.109723983e-01 5.06 -1.074782560e-01 5.08 -1.040880694e-01 5.10 -1.007979711e-01 5.12 -9.760412968e-02 5.14 -9.450274047e-02 5.16 -9.149001541e-02 5.18 -8.856217321e-02 5.20 -8.571542949e-02 5.22 -8.294598705e-02 5.24 -8.025002662e-02 5.26 -7.762369830e-02 5.28 -7.506311413e-02 5.30 -7.256434224e-02 5.32 -7.012340323e-02 5.34 -6.773626956e-02 5.36 -6.539886881e-02 5.38 -6.310709206e-02 5.40 -6.085680848e-02 5.42 -5.864388770e-02 5.44 -5.646423154e-02 5.46 -5.431381659e-02 5.48 -5.218874934e-02 5.50 -5.008533517e-02 5.52 -4.800016205e-02 5.54 -4.593019930e-02 5.56 -4.387290973e-02 5.58 -4.182637377e-02 5.60 -3.978942050e-02 5.62 -3.776175923e-02 5.64 -3.574410270e-02 5.66 -3.373827071e-02 5.68 -3.174726163e-02 5.70 -2.977527816e-02 5.72 -2.782769520e-02 5.74 -2.591095989e-02 5.76 -2.403241588e-02 5.78 -2.219988099e-02 5.80 -2.042167608e-02 5.82 -1.870625495e-02 5.84 -1.706170061e-02 5.86 -1.549536631e-02 5.88 -1.401355470e-02 5.90 -1.262126034e-02 5.92 -1.132199371e-02 5.94 -1.011769630e-02 5.96 -9.008746141e-03 5.98 -7.994045048e-03 6.00 -7.071171713e-03