# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2013--Zhou-X-W-Ward-D-K-Martin-J-E-et-al--Zn-Cd-Hg-S-Se-Te
# implementation = 2013--Zhou-X-W--Zn-Cd-Hg-S-Se-Te--LAMMPS--ipr1
# composition = CdHg2
# 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  1.328542138e+04 
0.80  1.141397427e+04 
0.82  9.846940938e+03 
0.84  8.534206675e+03 
0.86  7.426220229e+03 
0.88  6.480356423e+03 
0.90  5.667261467e+03 
0.92  4.966359799e+03 
0.94  4.361194745e+03 
0.96  3.838716086e+03 
0.98  3.387655410e+03 
1.00  2.997448398e+03 
1.02  2.658696375e+03 
1.04  2.363540361e+03 
1.06  2.105463534e+03 
1.08  1.878758319e+03 
1.10  1.678353421e+03 
1.12  1.500167941e+03 
1.14  1.341337668e+03 
1.16  1.200002207e+03 
1.18  1.074780787e+03 
1.20  9.643672821e+02 
1.22  8.673400467e+02 
1.24  7.821280099e+02 
1.26  7.071002328e+02 
1.28  6.407174745e+02 
1.30  5.816730304e+02 
1.32  5.289283054e+02 
1.34  4.816652944e+02 
1.36  4.392525757e+02 
1.38  4.011827872e+02 
1.40  3.669796408e+02 
1.42  3.361590670e+02 
1.44  3.082471177e+02 
1.46  2.828131724e+02 
1.48  2.594960696e+02 
1.50  2.380095538e+02 
1.52  2.181319388e+02 
1.54  1.996988526e+02 
1.56  1.825943543e+02 
1.58  1.667289840e+02 
1.60  1.520229556e+02 
1.62  1.384048661e+02 
1.64  1.258146378e+02 
1.66  1.142036122e+02 
1.68  1.035305293e+02 
1.70  9.375565584e+01 
1.72  8.483692489e+01 
1.74  7.672890202e+01 
1.76  6.938287860e+01 
1.78  6.274727743e+01 
1.80  5.676832851e+01 
1.82  5.139102938e+01 
1.84  4.656035102e+01 
1.86  4.222255756e+01 
1.88  3.832639071e+01 
1.90  3.482380928e+01 
1.92  3.167013268e+01 
1.94  2.882392348e+01 
1.96  2.624740310e+01 
1.98  2.390778261e+01 
2.00  2.177871200e+01 
2.02  1.984059849e+01 
2.04  1.807915042e+01 
2.06  1.648271420e+01 
2.08  1.504005727e+01 
2.10  1.373956026e+01 
2.12  1.256917718e+01 
2.14  1.151651539e+01 
2.16  1.056895540e+01 
2.18  9.713827423e+00 
2.20  8.938656640e+00 
2.22  8.231482558e+00 
2.24  7.581244441e+00 
2.26  6.978201250e+00 
2.28  6.414320165e+00 
2.30  5.883534115e+00 
2.32  5.381755320e+00 
2.34  4.906575284e+00 
2.36  4.456703503e+00 
2.38  4.031353909e+00 
2.40  3.629836028e+00 
2.42  3.251433920e+00 
2.44  2.895429501e+00 
2.46  2.561125609e+00 
2.48  2.247847563e+00 
2.50  1.954939737e+00 
2.52  1.681762004e+00 
2.54  1.427686376e+00 
2.56  1.192093839e+00 
2.58  9.743713577e-01 
2.60  7.739090926e-01 
2.62  5.900978048e-01 
2.64  4.223264749e-01 
2.66  2.699801623e-01 
2.68  1.324380793e-01 
2.70  9.071947825e-03 
2.72 -1.007553452e-01 
2.74 -1.976907961e-01 
2.76 -2.823919657e-01 
2.78 -3.555272823e-01 
2.80 -4.177759315e-01 
2.82 -4.698272581e-01 
2.84 -5.123796888e-01 
2.86 -5.461390953e-01 
2.88 -5.718165717e-01 
2.90 -5.901255847e-01 
2.92 -6.017784636e-01 
2.94 -6.074822054e-01 
2.96 -6.079335846e-01 
2.98 -6.038135758e-01 
3.00 -5.957811259e-01 
3.02 -5.844663491e-01 
3.04 -5.704632710e-01 
3.06 -5.543223115e-01 
3.08 -5.365427848e-01 
3.10 -5.175657945e-01 
3.12 -4.977680280e-01 
3.14 -4.774570817e-01 
3.16 -4.568690699e-01 
3.18 -4.361693504e-01 
3.20 -4.154571770e-01 
3.22 -3.947748956e-01 
3.24 -3.741218441e-01 
3.26 -3.534723189e-01 
3.28 -3.327958554e-01 
3.30 -3.120768198e-01 
3.32 -2.913294279e-01 
3.34 -2.706045647e-01 
3.36 -2.499868908e-01 
3.38 -2.295844459e-01 
3.40 -2.095162404e-01 
3.42 -1.899031216e-01 
3.44 -1.708632484e-01 
3.46 -1.525100832e-01 
3.48 -1.349509316e-01 
3.50 -1.182854362e-01 
3.52 -1.026039706e-01 
3.54 -8.798595279e-02 
3.56 -7.449810322e-02 
3.58 -6.219268694e-02 
3.60 -5.110579179e-02 
3.62 -4.125571280e-02 
3.64 -3.264153439e-02 
3.66 -2.524202809e-02 
3.68 -1.901501261e-02 
3.70 -1.389735279e-02 
3.72 -9.805799717e-03 
3.74 -6.638885010e-03 
3.76 -4.280064484e-03 
3.78 -2.602237742e-03 
3.80 -1.473626572e-03 
3.82 -7.647546084e-04 
3.84 -3.559325247e-04 
3.86 -1.442637230e-04 
3.88 -4.887263696e-05 
3.90 -1.304468295e-05 
3.92 -2.511480982e-06 
3.94 -3.038318541e-07 
3.96 -1.837968143e-08 
3.98 -3.698716300e-10 
4.00 -1.107040621e-12 
4.02 -7.801312766e-17 
4.04 -6.135159451e-25 
4.06 -9.251572604e-48 
4.08  0.000000000e+00 
4.10  0.000000000e+00 
4.12  0.000000000e+00 
4.14  0.000000000e+00 
4.16  0.000000000e+00 
4.18  0.000000000e+00 
4.20  0.000000000e+00 
4.22  0.000000000e+00 
4.24  0.000000000e+00 
4.26  0.000000000e+00 
4.28  0.000000000e+00 
4.30  0.000000000e+00 
4.32  0.000000000e+00 
4.34  0.000000000e+00 
4.36  0.000000000e+00 
4.38  0.000000000e+00 
4.40  0.000000000e+00 
4.42  0.000000000e+00 
4.44  0.000000000e+00 
4.46  0.000000000e+00 
4.48  0.000000000e+00 
4.50  0.000000000e+00 
4.52  0.000000000e+00 
4.54  0.000000000e+00 
4.56  0.000000000e+00 
4.58  0.000000000e+00 
4.60  0.000000000e+00 
4.62  0.000000000e+00 
4.64  0.000000000e+00 
4.66  0.000000000e+00 
4.68  0.000000000e+00 
4.70  0.000000000e+00 
4.72  0.000000000e+00 
4.74  0.000000000e+00 
4.76  0.000000000e+00 
4.78  0.000000000e+00 
4.80  0.000000000e+00 
4.82  0.000000000e+00 
4.84  0.000000000e+00 
4.86  0.000000000e+00 
4.88  0.000000000e+00 
4.90  0.000000000e+00 
4.92  0.000000000e+00 
4.94  0.000000000e+00 
4.96  0.000000000e+00 
4.98  0.000000000e+00 
5.00  0.000000000e+00 
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