# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2020--Tavanti-F-Dianat-B-Catellani-A-Calzolari-A--Ge50Se50
# implementation = 2020--Tavanti-F--Ge50Se50--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  8.973856524e+00 
2.32  8.540339998e+00 
2.34  8.134678151e+00 
2.36  7.754550474e+00 
2.38  7.398202816e+00 
2.40  7.063472239e+00 
2.42  6.748481960e+00 
2.44  6.451876310e+00 
2.46  6.172832760e+00 
2.48  5.910016843e+00 
2.50  5.662319190e+00 
2.52  5.428971056e+00 
2.54  5.209141085e+00 
2.56  5.001458970e+00 
2.58  4.805035461e+00 
2.60  4.618761136e+00 
2.62  4.442103066e+00 
2.64  4.274488210e+00 
2.66  4.115381551e+00 
2.68  3.964223227e+00 
2.70  3.820630317e+00 
2.72  3.684398632e+00 
2.74  3.554574438e+00 
2.76  3.430459364e+00 
2.78  3.311711309e+00 
2.80  3.197975578e+00 
2.82  3.089279781e+00 
2.84  2.985336074e+00 
2.86  2.885697336e+00 
2.88  2.790122545e+00 
2.90  2.698411488e+00 
2.92  2.610462019e+00 
2.94  2.526305731e+00 
2.96  2.445773364e+00 
2.98  2.368525626e+00 
3.00  2.294355259e+00 
3.02  2.223130440e+00 
3.04  2.154610036e+00 
3.06  2.088620374e+00 
3.08  2.025289976e+00 
3.10  1.964516223e+00 
3.12  1.906066586e+00 
3.14  1.849753500e+00 
3.16  1.795495612e+00 
3.18  1.743216250e+00 
3.20  1.692754677e+00 
3.22  1.644118765e+00 
3.24  1.597388555e+00 
3.26  1.552500705e+00 
3.28  1.509317093e+00 
3.30  1.467557758e+00 
3.32  1.427160740e+00 
3.34  1.388081127e+00 
3.36  1.350276492e+00 
3.38  1.313572274e+00 
3.40  1.277809089e+00 
3.42  1.243032920e+00 
3.44  1.209216816e+00 
3.46  1.176331038e+00 
3.48  1.144332510e+00 
3.50  1.113163707e+00 
3.52  1.082799177e+00 
3.54  1.053215738e+00 
3.56  1.024391401e+00 
3.58  9.963052920e-01 
3.60  9.689375770e-01 
3.62  9.423232483e-01 
3.64  9.166593816e-01 
3.66  8.919463769e-01 
3.68  8.681624567e-01 
3.70  8.452867263e-01 
3.72  8.231836126e-01 
3.74  8.016263612e-01 
3.76  7.805974624e-01 
3.78  7.600844637e-01 
3.80  7.400754631e-01 
3.82  7.205590776e-01 
3.84  7.015244128e-01 
3.86  6.829215651e-01 
3.88  6.646720392e-01 
3.90  6.468464903e-01 
3.92  6.295247048e-01 
3.94  6.126965330e-01 
3.96  5.963521337e-01 
3.98  5.804820240e-01 
4.00  5.650770611e-01 
4.02  5.501048247e-01 
4.04  5.355336923e-01 
4.06  5.213561676e-01 
4.08  5.075650166e-01 
4.10  4.941532551e-01 
4.12  4.811141363e-01 
4.14  4.684411389e-01 
4.16  4.561279568e-01 
4.18  4.441679542e-01 
4.20  4.324997428e-01 
4.22  4.210814003e-01 
4.24  4.099257971e-01 
4.26  3.990792689e-01 
4.28  3.885401059e-01 
4.30  3.783033371e-01 
4.32  3.683641391e-01 
4.34  3.587178295e-01 
4.36  3.493598608e-01 
4.38  3.402858144e-01 
4.40  3.314423896e-01 
4.42  3.227578055e-01 
4.44  3.142291923e-01 
4.46  3.058542293e-01 
4.48  2.976306702e-01 
4.50  2.895563405e-01 
4.52  2.816291335e-01 
4.54  2.738470074e-01 
4.56  2.662079826e-01 
4.58  2.587101383e-01 
4.60  2.513516107e-01 
4.62  2.441304180e-01 
4.64  2.369917429e-01 
4.66  2.298925941e-01 
4.68  2.228325225e-01 
4.70  2.158468693e-01 
4.72  2.090122104e-01 
4.74  2.023291759e-01 
4.76  1.957957179e-01 
4.78  1.894098378e-01 
4.80  1.831695847e-01 
4.82  1.770730534e-01 
4.84  1.711183830e-01 
4.86  1.653037552e-01 
4.88  1.596273928e-01 
4.90  1.540874967e-01 
4.92  1.486564641e-01 
4.94  1.433117861e-01 
4.96  1.380524322e-01 
4.98  1.328773968e-01 
5.00  1.277856980e-01 
5.02  1.227763775e-01 
5.04  1.178484990e-01 
5.06  1.130011478e-01 
5.08  1.082334298e-01 
5.10  1.035444711e-01 
5.12  9.893341683e-02 
5.14  9.439943098e-02 
5.16  8.994169538e-02 
5.18  8.555940925e-02 
5.20  8.125178860e-02 
5.22  7.701806567e-02 
5.24  7.285748840e-02 
5.26  6.876931990e-02 
5.28  6.475283798e-02 
5.30  6.080733466e-02 
5.32  5.693211575e-02 
5.34  5.312983375e-02 
5.36  4.944292040e-02 
5.38  4.588332815e-02 
5.40  4.244964150e-02 
5.42  3.914046886e-02 
5.44  3.595444195e-02 
5.46  3.289021523e-02 
5.48  2.994646536e-02 
5.50  2.712189073e-02 
5.52  2.441521089e-02 
5.54  2.182516608e-02 
5.56  1.935051679e-02 
5.58  1.699004324e-02 
5.60  1.474254499e-02 
5.62  1.260684050e-02 
5.64  1.058176667e-02 
5.66  8.665298617e-03 
5.68  6.811491630e-03 
5.70  4.994670215e-03 
5.72  3.214515975e-03 
5.74  1.470716047e-03 
5.76 -2.370370643e-04 
5.78 -1.909045632e-03 
5.80 -3.545606852e-03 
5.82 -5.147012985e-03 
5.84 -6.713551486e-03 
5.86 -8.245505140e-03 
5.88 -9.743152180e-03 
5.90 -1.120676641e-02 
5.92 -1.263661733e-02 
5.94 -1.403297022e-02 
5.96 -1.539608629e-02 
5.98 -1.672622274e-02 
6.00 -1.802363289e-02