# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2020--Tavanti-F-Dianat-B-Catellani-A-Calzolari-A--Ge40Se60
# implementation = 2020--Tavanti-F--Ge40Se60--LAMMPS--ipr1
# composition = Ge2Se
# 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 2023-04-28

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  nan             
1.16  nan             
1.18  nan             
1.20  nan             
1.22  nan             
1.24  nan             
1.26  nan             
1.28  nan             
1.30  nan             
1.32  nan             
1.34  nan             
1.36  nan             
1.38  nan             
1.40  nan             
1.42  nan             
1.44  nan             
1.46  nan             
1.48  nan             
1.50  nan             
1.52  nan             
1.54  nan             
1.56  nan             
1.58  nan             
1.60  nan             
1.62  nan             
1.64  nan             
1.66  nan             
1.68  nan             
1.70  nan             
1.72  nan             
1.74  nan             
1.76  nan             
1.78  nan             
1.80  nan             
1.82  nan             
1.84  nan             
1.86  nan             
1.88  nan             
1.90  nan             
1.92  nan             
1.94  nan             
1.96  nan             
1.98  nan             
2.00  nan             
2.02  nan             
2.04  nan             
2.06  nan             
2.08  nan             
2.10  nan             
2.12  nan             
2.14  nan             
2.16  nan             
2.18  nan             
2.20  nan             
2.22  nan             
2.24  nan             
2.26  nan             
2.28  nan             
2.30  2.836504495e+01 
2.32  2.740113945e+01 
2.34  2.648336199e+01 
2.36  2.560850835e+01 
2.38  2.477420976e+01 
2.40  2.397725990e+01 
2.42  2.321496313e+01 
2.44  2.248528795e+01 
2.46  2.178740407e+01 
2.48  2.111945615e+01 
2.50  2.047999542e+01 
2.52  1.986815689e+01 
2.54  1.928284350e+01 
2.56  1.872165523e+01 
2.58  1.818323968e+01 
2.60  1.766535766e+01 
2.62  1.716719236e+01 
2.64  1.668796227e+01 
2.66  1.622692247e+01 
2.68  1.578318432e+01 
2.70  1.535602461e+01 
2.72  1.494522669e+01 
2.74  1.454886324e+01 
2.76  1.416558415e+01 
2.78  1.379485183e+01 
2.80  1.343592501e+01 
2.82  1.308892445e+01 
2.84  1.275337343e+01 
2.86  1.242839834e+01 
2.88  1.211360067e+01 
2.90  1.180866160e+01 
2.92  1.151343913e+01 
2.94  1.122803679e+01 
2.96  1.095216298e+01 
2.98  1.068510947e+01 
3.00  1.042647376e+01 
3.02  1.017602423e+01 
3.04  9.933204158e+00 
3.06  9.697475859e+00 
3.08  9.469089093e+00 
3.10  9.247855795e+00 
3.12  9.033269649e+00 
3.14  8.824926109e+00 
3.16  8.622670358e+00 
3.18  8.426353591e+00 
3.20  8.235580611e+00 
3.22  8.050293009e+00 
3.24  7.870636511e+00 
3.26  7.696482541e+00 
3.28  7.527519361e+00 
3.30  7.363090964e+00 
3.32  7.203062619e+00 
3.34  7.047338064e+00 
3.36  6.895824717e+00 
3.38  6.748050125e+00 
3.40  6.603555045e+00 
3.42  6.462417071e+00 
3.44  6.324574581e+00 
3.46  6.189959993e+00 
3.48  6.058472287e+00 
3.50  5.929974405e+00 
3.52  5.804405259e+00 
3.54  5.681708185e+00 
3.56  5.561828445e+00 
3.58  5.444713124e+00 
3.60  5.330311045e+00 
3.62  5.218675032e+00 
3.64  5.110165826e+00 
3.66  5.004770194e+00 
3.68  4.902432645e+00 
3.70  4.803099286e+00 
3.72  4.706439992e+00 
3.74  4.611904775e+00 
3.76  4.519446305e+00 
3.78  4.429029075e+00 
3.80  4.340618602e+00 
3.82  4.254181386e+00 
3.84  4.169684864e+00 
3.86  4.086984834e+00 
3.88  4.005855196e+00 
3.90  3.926418854e+00 
3.92  3.848817339e+00 
3.94  3.773021266e+00 
3.96  3.699001879e+00 
3.98  3.626731155e+00 
4.00  3.556181775e+00 
4.02  3.487270348e+00 
4.04  3.419915289e+00 
4.06  3.354092945e+00 
4.08  3.289780236e+00 
4.10  3.226954638e+00 
4.12  3.165594155e+00 
4.14  3.105677309e+00 
4.16  3.047183118e+00 
4.18  2.990089556e+00 
4.20  2.934218395e+00 
4.22  2.879446823e+00 
4.24  2.825791926e+00 
4.26  2.773334473e+00 
4.28  2.722063983e+00 
4.30  2.671963858e+00 
4.32  2.623017856e+00 
4.34  2.575210082e+00 
4.36  2.528524980e+00 
4.38  2.482947319e+00 
4.40  2.438344342e+00 
4.42  2.394538819e+00 
4.44  2.351519218e+00 
4.46  2.309275356e+00 
4.48  2.267797262e+00 
4.50  2.227075170e+00 
4.52  2.187099512e+00 
4.54  2.147860912e+00 
4.56  2.109350182e+00 
4.58  2.071558316e+00 
4.60  2.034476484e+00 
4.62  1.998095537e+00 
4.64  1.962255699e+00 
4.66  1.926830933e+00 
4.68  1.891816523e+00 
4.70  1.857275828e+00 
4.72  1.823350632e+00 
4.74  1.790038411e+00 
4.76  1.757331596e+00 
4.78  1.725222758e+00 
4.80  1.693704606e+00 
4.82  1.662769981e+00 
4.84  1.632411852e+00 
4.86  1.602623318e+00 
4.88  1.573397597e+00 
4.90  1.544727880e+00 
4.92  1.516545335e+00 
4.94  1.488793378e+00 
4.96  1.461467091e+00 
4.98  1.434561640e+00 
5.00  1.408072276e+00 
5.02  1.381994333e+00 
5.04  1.356323221e+00 
5.06  1.331054431e+00 
5.08  1.306183529e+00 
5.10  1.281706155e+00 
5.12  1.257618021e+00 
5.14  1.233914911e+00 
5.16  1.210592676e+00 
5.18  1.187647236e+00 
5.20  1.165074576e+00 
5.22  1.142870748e+00 
5.24  1.121031863e+00 
5.26  1.099554096e+00 
5.28  1.078433681e+00 
5.30  1.057666913e+00 
5.32  1.037250143e+00 
5.34  1.017186114e+00 
5.36  9.975532123e-01 
5.38  9.783719190e-01 
5.40  9.596373360e-01 
5.42  9.413446400e-01 
5.44  9.234890808e-01 
5.46  9.060659798e-01 
5.48  8.890707289e-01 
5.50  8.724987889e-01 
5.52  8.563456883e-01 
5.54  8.406070216e-01 
5.56  8.252784485e-01 
5.58  8.103556923e-01 
5.60  7.958345387e-01 
5.62  7.817108349e-01 
5.64  7.679804880e-01 
5.66  7.546373487e-01 
5.68  7.415696704e-01 
5.70  7.287144298e-01 
5.72  7.160695843e-01 
5.74  7.036331201e-01 
5.76  6.914030519e-01 
5.78  6.793774225e-01 
5.80  6.675543019e-01 
5.82  6.559317871e-01 
5.84  6.445080014e-01 
5.86  6.332810938e-01 
5.88  6.222492391e-01 
5.90  6.114106366e-01 
5.92  6.007635103e-01 
5.94  5.903061081e-01 
5.96  5.800367014e-01 
5.98  5.699535851e-01 
6.00  5.600550763e-01