# 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 = HgZn2
# 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  9.719018974e+03 
0.80  8.337314079e+03 
0.82  7.186832777e+03 
0.84  6.222558243e+03 
0.86  5.407666092e+03 
0.88  4.713842217e+03 
0.90  4.118091293e+03 
0.92  3.603393985e+03 
0.94  3.157614712e+03 
0.96  2.770712179e+03 
0.98  2.433940236e+03 
1.00  2.140511501e+03 
1.02  1.885253451e+03 
1.04  1.663427543e+03 
1.06  1.470511164e+03 
1.08  1.302367273e+03 
1.10  1.155591762e+03 
1.12  1.027729404e+03 
1.14  9.167278682e+02 
1.16  8.204792951e+02 
1.18  7.368593032e+02 
1.20  6.638595288e+02 
1.22  5.996893859e+02 
1.24  5.428338518e+02 
1.26  4.920890432e+02 
1.28  4.465309977e+02 
1.30  4.054168069e+02 
1.32  3.681747753e+02 
1.34  3.344112003e+02 
1.36  3.038415629e+02 
1.38  2.762022204e+02 
1.40  2.512036203e+02 
1.42  2.285261937e+02 
1.44  2.078431100e+02 
1.46  1.888580012e+02 
1.48  1.713446335e+02 
1.50  1.551632151e+02 
1.52  1.402345244e+02 
1.54  1.264966377e+02 
1.56  1.138848401e+02 
1.58  1.023304638e+02 
1.60  9.176334864e+01 
1.62  8.211506234e+01 
1.64  7.332223174e+01 
1.66  6.532902801e+01 
1.68  5.808792700e+01 
1.70  5.155850811e+01 
1.72  4.570455497e+01 
1.74  4.049012029e+01 
1.76  3.587641414e+01 
1.78  3.182078611e+01 
1.80  2.827684145e+01 
1.82  2.519485200e+01 
1.84  2.252246073e+01 
1.86  2.020583013e+01 
1.88  1.819139356e+01 
1.90  1.642828257e+01 
1.92  1.487120892e+01 
1.94  1.348303274e+01 
1.96  1.223572486e+01 
1.98  1.110878360e+01 
2.00  1.008608370e+01 
2.02  9.153793198e+00 
2.04  8.300241506e+00 
2.06  7.516282567e+00 
2.08  6.795227468e+00 
2.10  6.132215723e+00 
2.12  5.523260136e+00 
2.14  4.964487402e+00 
2.16  4.451902852e+00 
2.18  3.981470219e+00 
2.20  3.549213876e+00 
2.22  3.151314596e+00 
2.24  2.784224502e+00 
2.26  2.444792249e+00 
2.28  2.130378373e+00 
2.30  1.838925014e+00 
2.32  1.568944408e+00 
2.34  1.319406906e+00 
2.36  1.089554263e+00 
2.38  8.787144840e-01 
2.40  6.861973330e-01 
2.42  5.112765191e-01 
2.44  3.531996951e-01 
2.46  2.111912784e-01 
2.48  8.445124449e-02 
2.50 -2.784582706e-02 
2.52 -1.265509094e-01 
2.54 -2.125397956e-01 
2.56 -2.867113099e-01 
2.58 -3.499843547e-01 
2.60 -4.032936337e-01 
2.62 -4.475838982e-01 
2.64 -4.838026086e-01 
2.66 -5.128907824e-01 
2.68 -5.357720878e-01 
2.70 -5.533400160e-01 
2.72 -5.664433239e-01 
2.74 -5.758699365e-01 
2.76 -5.823298645e-01 
2.78 -5.864379706e-01 
2.80 -5.886979276e-01 
2.82 -5.894892040e-01 
2.84 -5.890595147e-01 
2.86 -5.875255481e-01 
2.88 -5.848847502e-01 
2.90 -5.810400230e-01 
2.92 -5.758369326e-01 
2.94 -5.691092126e-01 
2.96 -5.607236759e-01 
2.98 -5.506123646e-01 
3.00 -5.387816678e-01 
3.02 -5.252978080e-01 
3.04 -5.102612906e-01 
3.06 -4.937871631e-01 
3.08 -4.759971382e-01 
3.10 -4.570181664e-01 
3.12 -4.369823140e-01 
3.14 -4.160266511e-01 
3.16 -3.942930486e-01 
3.18 -3.719278673e-01 
3.20 -3.490815295e-01 
3.22 -3.259079584e-01 
3.24 -3.025638728e-01 
3.26 -2.792079243e-01 
3.28 -2.559996635e-01 
3.30 -2.330983249e-01 
3.32 -2.106614198e-01 
3.34 -1.888431292e-01 
3.36 -1.677924944e-01 
3.38 -1.476514045e-01 
3.40 -1.285523880e-01 
3.42 -1.106162256e-01 
3.44 -9.394940928e-02 
3.46 -7.864149053e-02 
3.48 -6.476237875e-02 
3.50 -5.235967638e-02 
3.52 -4.145617027e-02 
3.54 -3.204764004e-02 
3.56 -2.410119418e-02 
3.58 -1.755440163e-02 
3.60 -1.231554479e-02 
3.62 -8.265364915e-03 
3.64 -5.260680272e-03 
3.66 -3.140190698e-03 
3.68 -1.732588216e-03 
3.70 -8.667160905e-04 
3.72 -3.829295152e-04 
3.74 -1.440696841e-04 
3.76 -4.380225041e-05 
3.78 -9.955298731e-06 
3.80 -1.498351140e-06 
3.82 -1.223459320e-07 
3.84 -3.808948944e-09 
3.86 -2.271085341e-11 
3.88 -5.510305597e-15 
3.90 -6.924383879e-22 
3.92 -2.793758611e-40 
3.94 -9.745556388e-242 
3.96  0.000000000e+00 
3.98  0.000000000e+00 
4.00  0.000000000e+00 
4.02  0.000000000e+00 
4.04  0.000000000e+00 
4.06  0.000000000e+00 
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