# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2017--Bonny-G-Bakaev-A-Terentyev-D-Mastrikov-Y-A--W-Re
# implementation = 2017--Bonny-G--W-Re--LAMMPS--ipr1
# composition = ReW2
# 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 2022-05-24

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  2.893402042e+03 
0.88  2.586028016e+03 
0.90  2.316212386e+03 
0.92  2.078466409e+03 
0.94  1.868623737e+03 
0.96  1.682927868e+03 
0.98  1.517824228e+03 
1.00  1.370639480e+03 
1.02  1.239297239e+03 
1.04  1.121951376e+03 
1.06  1.016241147e+03 
1.08  9.202642591e+02 
1.10  8.328907833e+02 
1.12  7.532032270e+02 
1.14  6.804041633e+02 
1.16  6.138211864e+02 
1.18  5.528031122e+02 
1.20  4.968888983e+02 
1.22  4.457241054e+02 
1.24  3.989924359e+02 
1.26  3.564399627e+02 
1.28  3.177476258e+02 
1.30  2.827981590e+02 
1.32  2.514948249e+02 
1.34  2.235645734e+02 
1.36  1.986075569e+02 
1.38  1.762937591e+02 
1.40  1.563640102e+02 
1.42  1.385522518e+02 
1.44  1.226160487e+02 
1.46  1.083788667e+02 
1.48  9.568471859e+01 
1.50  8.437538702e+01 
1.52  7.429117218e+01 
1.54  6.531025158e+01 
1.56  5.732875415e+01 
1.58  5.025214503e+01 
1.60  4.401452012e+01 
1.62  3.860770296e+01 
1.64  3.395848355e+01 
1.66  2.992032959e+01 
1.68  2.638270727e+01 
1.70  2.327328439e+01 
1.72  2.052942101e+01 
1.74  1.809453164e+01 
1.76  1.594445921e+01 
1.78  1.405277101e+01 
1.80  1.238502624e+01 
1.82  1.090931396e+01 
1.84  9.597705734e+00 
1.86  8.425681157e+00 
1.88  7.371120426e+00 
1.90  6.413836089e+00 
1.92  5.537750083e+00 
1.94  4.728264572e+00 
1.96  3.973154183e+00 
1.98  3.267860736e+00 
2.00  2.607281099e+00 
2.02  1.982180507e+00 
2.04  1.385087947e+00 
2.06  8.160362652e-01 
2.08  2.745637859e-01 
2.10 -2.399477966e-01 
2.12 -7.332434890e-01 
2.14 -1.214216894e+00 
2.16 -1.685260977e+00 
2.18 -2.147447487e+00 
2.20 -2.599959217e+00 
2.22 -3.041574147e+00 
2.24 -3.470072570e+00 
2.26 -3.874133362e+00 
2.28 -4.239650692e+00 
2.30 -4.558932367e+00 
2.32 -4.841941390e+00 
2.34 -5.101674646e+00 
2.36 -5.346767040e+00 
2.38 -5.579153708e+00 
2.40 -5.798927966e+00 
2.42 -6.005691326e+00 
2.44 -6.199129663e+00 
2.46 -6.378933829e+00 
2.48 -6.543822607e+00 
2.50 -6.691969913e+00 
2.52 -6.822389723e+00 
2.54 -6.934463775e+00 
2.56 -7.027616111e+00 
2.58 -7.101948535e+00 
2.60 -7.158166229e+00 
2.62 -7.196414619e+00 
2.64 -7.216740775e+00 
2.66 -7.219227577e+00 
2.68 -7.205369112e+00 
2.70 -7.178165846e+00 
2.72 -7.140618096e+00 
2.74 -7.094790358e+00 
2.76 -7.041850990e+00 
2.78 -6.982260713e+00 
2.80 -6.916429425e+00 
2.82 -6.844747264e+00 
2.84 -6.767584153e+00 
2.86 -6.685289565e+00 
2.88 -6.598201054e+00 
2.90 -6.506786929e+00 
2.92 -6.411953165e+00 
2.94 -6.314681340e+00 
2.96 -6.215935358e+00 
2.98 -6.116661047e+00 
3.00 -6.017785287e+00 
3.02 -5.919864985e+00 
3.04 -5.822505970e+00 
3.06 -5.725171293e+00 
3.08 -5.627224960e+00 
3.10 -5.528066353e+00 
3.12 -5.427297059e+00 
3.14 -5.324722503e+00 
3.16 -5.220530006e+00 
3.18 -5.114962972e+00 
3.20 -5.008263069e+00 
3.22 -4.900670177e+00 
3.24 -4.792422336e+00 
3.26 -4.683755676e+00 
3.28 -4.574904063e+00 
3.30 -4.466088634e+00 
3.32 -4.357565706e+00 
3.34 -4.250325346e+00 
3.36 -4.145704253e+00 
3.38 -4.044188756e+00 
3.40 -3.945934746e+00 
3.42 -3.851096090e+00 
3.44 -3.759825915e+00 
3.46 -3.672267303e+00 
3.48 -3.588350362e+00 
3.50 -3.507792122e+00 
3.52 -3.430301187e+00 
3.54 -3.355593033e+00 
3.56 -3.283384951e+00 
3.58 -3.213394187e+00 
3.60 -3.145337900e+00 
3.62 -3.078933242e+00 
3.64 -3.013950594e+00 
3.66 -2.950295165e+00 
3.68 -2.887892861e+00 
3.70 -2.826669194e+00 
3.72 -2.766549196e+00 
3.74 -2.707457335e+00 
3.76 -2.649317424e+00 
3.78 -2.592052508e+00 
3.80 -2.535584762e+00 
3.82 -2.479835374e+00 
3.84 -2.424730708e+00 
3.86 -2.370250811e+00 
3.88 -2.316402593e+00 
3.90 -2.263191639e+00 
3.92 -2.210621759e+00 
3.94 -2.158694863e+00 
3.96 -2.107410731e+00 
3.98 -2.056766786e+00 
4.00 -2.006757920e+00 
4.02 -1.957376220e+00 
4.04 -1.908610766e+00 
4.06 -1.860447300e+00 
4.08 -1.812869837e+00 
4.10 -1.765912514e+00 
4.12 -1.719667208e+00 
4.14 -1.674224701e+00 
4.16 -1.629670909e+00 
4.18 -1.586086367e+00 
4.20 -1.543545798e+00 
4.22 -1.502123092e+00 
4.24 -1.461906869e+00 
4.26 -1.422938582e+00 
4.28 -1.385116446e+00 
4.30 -1.348317060e+00 
4.32 -1.312415344e+00 
4.34 -1.277288862e+00 
4.36 -1.242815843e+00 
4.38 -1.208867332e+00 
4.40 -1.175332657e+00 
4.42 -1.142068516e+00 
4.44 -1.109056830e+00 
4.46 -1.075959276e+00 
4.48 -1.043131786e+00 
4.50 -1.011277006e+00 
4.52 -9.808569829e-01 
4.54 -9.501296965e-01 
4.56 -9.176121725e-01 
4.58 -8.828325878e-01 
4.60 -8.459177208e-01 
4.62 -8.082001844e-01 
4.64 -7.710203328e-01 
4.66 -7.350691947e-01 
4.68 -7.005782699e-01 
4.70 -6.676755373e-01 
4.72 -6.365104052e-01 
4.74 -6.065703975e-01 
4.76 -5.778188572e-01 
4.78 -5.508841051e-01 
4.80 -5.261734664e-01 
4.82 -5.040088508e-01 
4.84 -4.848478225e-01 
4.86 -4.666266678e-01 
4.88 -4.474295471e-01 
4.90 -4.260289477e-01 
4.92 -4.017605366e-01 
4.94 -3.744724705e-01 
4.96 -3.442255922e-01 
4.98 -3.117112962e-01 
5.00 -2.785534275e-01 
5.02 -2.459756303e-01 
5.04 -2.148270395e-01 
5.06 -1.856651145e-01 
5.08 -1.588239723e-01 
5.10 -1.344701425e-01 
5.12 -1.126474890e-01 
5.14 -9.331288111e-02 
5.16 -7.636403610e-02 
5.18 -6.166080636e-02 
5.20 -4.904104473e-02 
5.22 -3.833204678e-02 
5.24 -2.935844547e-02 
5.26 -2.194731706e-02 
5.28 -1.593114920e-02 
5.30 -1.114922260e-02 
5.32 -7.447866258e-03 
5.34 -4.679963355e-03 
5.36 -2.704010036e-03 
5.38 -1.382963047e-03 
5.40 -5.830539946e-04 
5.42 -1.726981878e-04 
5.44 -2.158457287e-05 
5.46 -7.567437202e-10 
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