# 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 = Co2Zr # 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 2.465417869e+02 1.16 2.267644934e+02 1.18 2.086130025e+02 1.20 1.919388768e+02 1.22 1.766101175e+02 1.24 1.625095062e+02 1.26 1.495327584e+02 1.28 1.375855725e+02 1.30 1.265810752e+02 1.32 1.164393143e+02 1.34 1.070875911e+02 1.36 9.846028057e+01 1.38 9.049809374e+01 1.40 8.314729096e+01 1.42 7.635877883e+01 1.44 7.008711037e+01 1.46 6.429018701e+01 1.48 5.892971886e+01 1.50 5.397140187e+01 1.52 4.938425881e+01 1.54 4.513975936e+01 1.56 4.121139228e+01 1.58 3.757477464e+01 1.60 3.420775684e+01 1.62 3.109022965e+01 1.64 2.820375667e+01 1.66 2.553189814e+01 1.68 2.305887895e+01 1.70 2.077061398e+01 1.72 1.865463479e+01 1.74 1.669795659e+01 1.76 1.488852877e+01 1.78 1.321526547e+01 1.80 1.166807665e+01 1.82 1.023785841e+01 1.84 8.916298383e+00 1.86 7.695714043e+00 1.88 6.568937681e+00 1.90 5.529310407e+00 1.92 4.570663080e+00 1.94 3.687302899e+00 1.96 2.873943005e+00 1.98 2.125671542e+00 2.00 1.437933717e+00 2.02 8.065024731e-01 2.04 2.274400879e-01 2.06 -3.029513019e-01 2.08 -7.881780947e-01 2.10 -1.231596162e+00 2.12 -1.636403854e+00 2.14 -2.005619258e+00 2.16 -2.342029357e+00 2.18 -2.648162990e+00 2.20 -2.926285220e+00 2.22 -3.178440833e+00 2.24 -3.406498524e+00 2.26 -3.612183224e+00 2.28 -3.797087208e+00 2.30 -3.962666204e+00 2.32 -4.110257786e+00 2.34 -4.241117097e+00 2.36 -4.356403216e+00 2.38 -4.457035827e+00 2.40 -4.543904381e+00 2.42 -4.617886773e+00 2.44 -4.679849780e+00 2.46 -4.730662238e+00 2.48 -4.771184870e+00 2.50 -4.802092362e+00 2.52 -4.823958060e+00 2.54 -4.837393684e+00 2.56 -4.843031332e+00 2.58 -4.841585997e+00 2.60 -4.833592537e+00 2.62 -4.819516029e+00 2.64 -4.799815355e+00 2.66 -4.774915140e+00 2.68 -4.745215352e+00 2.70 -4.711090123e+00 2.72 -4.672894621e+00 2.74 -4.630969216e+00 2.76 -4.585575258e+00 2.78 -4.536895263e+00 2.80 -4.485132089e+00 2.82 -4.430480475e+00 2.84 -4.373136512e+00 2.86 -4.313289724e+00 2.88 -4.251123205e+00 2.90 -4.186816177e+00 2.92 -4.120547916e+00 2.94 -4.052502254e+00 2.96 -3.982872008e+00 2.98 -3.911862536e+00 3.00 -3.839693261e+00 3.02 -3.766595879e+00 3.04 -3.692808334e+00 3.06 -3.618564811e+00 3.08 -3.544083573e+00 3.10 -3.469555667e+00 3.12 -3.395134334e+00 3.14 -3.320947430e+00 3.16 -3.247079774e+00 3.18 -3.173597950e+00 3.20 -3.100557351e+00 3.22 -3.028013750e+00 3.24 -2.956033328e+00 3.26 -2.884699671e+00 3.28 -2.814116519e+00 3.30 -2.744405523e+00 3.32 -2.675699096e+00 3.34 -2.608129670e+00 3.36 -2.541817713e+00 3.38 -2.476861312e+00 3.40 -2.413327980e+00 3.42 -2.351259499e+00 3.44 -2.290663613e+00 3.46 -2.231526783e+00 3.48 -2.173818305e+00 3.50 -2.117496111e+00 3.52 -2.062511389e+00 3.54 -2.008811766e+00 3.56 -1.956343219e+00 3.58 -1.905051041e+00 3.60 -1.854880269e+00 3.62 -1.805775925e+00 3.64 -1.757683366e+00 3.66 -1.710548941e+00 3.68 -1.664321068e+00 3.70 -1.618951771e+00 3.72 -1.574398625e+00 3.74 -1.530626982e+00 3.76 -1.487612265e+00 3.78 -1.445342028e+00 3.80 -1.403817427e+00 3.82 -1.363053697e+00 3.84 -1.323079286e+00 3.86 -1.283933433e+00 3.88 -1.245662238e+00 3.90 -1.208313600e+00 3.92 -1.171931706e+00 3.94 -1.136551931e+00 3.96 -1.102196953e+00 3.98 -1.068874614e+00 4.00 -1.036577691e+00 4.02 -1.005285321e+00 4.04 -9.749655953e-01 4.06 -9.455787549e-01 4.08 -9.170804732e-01 4.10 -8.894197217e-01 4.12 -8.625629666e-01 4.14 -8.364621111e-01 4.16 -8.110801227e-01 4.18 -7.863857660e-01 4.20 -7.623543104e-01 4.22 -7.389678078e-01 4.24 -7.162149090e-01 4.26 -6.940901886e-01 4.28 -6.725929773e-01 4.30 -6.517257653e-01 4.32 -6.314923218e-01 4.34 -6.118957393e-01 4.36 -5.929366509e-01 4.38 -5.746118424e-01 4.40 -5.569134100e-01 4.42 -5.398285137e-01 4.44 -5.233396675e-01 4.46 -5.074254368e-01 4.48 -4.920613731e-01 4.50 -4.772210226e-01 4.52 -4.628768806e-01 4.54 -4.490012045e-01 4.56 -4.355666511e-01 4.58 -4.225467323e-01 4.60 -4.099161150e-01 4.62 -3.976507963e-01 4.64 -3.857281959e-01 4.66 -3.741272011e-01 4.68 -3.628281960e-01 4.70 -3.518131014e-01 4.72 -3.410654426e-01 4.74 -3.305704572e-01 4.76 -3.203152436e-01 4.78 -3.102889483e-01 4.80 -3.004787748e-01 4.82 -2.908877009e-01 4.84 -2.815071920e-01 4.86 -2.723365057e-01 4.88 -2.633776108e-01 4.90 -2.546350149e-01 4.92 -2.461154111e-01 4.94 -2.378271409e-01 4.96 -2.297794930e-01 4.98 -2.219818901e-01 5.00 -2.144430379e-01 5.02 -2.071701238e-01 5.04 -2.001681477e-01 5.06 -1.934394531e-01 5.08 -1.869833222e-01 5.10 -1.807962095e-01 5.12 -1.748722247e-01 5.14 -1.692031046e-01 5.16 -1.637787085e-01 5.18 -1.585875543e-01 5.20 -1.536173381e-01 5.22 -1.488553985e-01 5.24 -1.442891045e-01 5.26 -1.399061568e-01 5.28 -1.356948056e-01 5.30 -1.316439933e-01 5.32 -1.277434335e-01 5.34 -1.239836404e-01 5.36 -1.203559209e-01 5.38 -1.168523412e-01 5.40 -1.134656758e-01 5.42 -1.101893477e-01 5.44 -1.070173642e-01 5.46 -1.039442522e-01 5.48 -1.009649958e-01 5.50 -9.807497762e-02 5.52 -9.526992486e-02 5.54 -9.254585995e-02 5.56 -8.989905649e-02 5.58 -8.732599973e-02 5.60 -8.482335148e-02 5.62 -8.238791893e-02 5.64 -8.001662713e-02 5.66 -7.770649457e-02 5.68 -7.545461168e-02 5.70 -7.325812182e-02 5.72 -7.111420467e-02 5.74 -6.902006174e-02 5.76 -6.697290416e-02 5.78 -6.496994251e-02 5.80 -6.300837905e-02 5.82 -6.108540238e-02 5.84 -5.919818499e-02 5.86 -5.734388408e-02 5.88 -5.551964606e-02 5.90 -5.372261555e-02 5.92 -5.194994936e-02 5.94 -5.019883643e-02 5.96 -4.846652429e-02 5.98 -4.675035288e-02 6.00 -4.504779631e-02