# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2020--Tavanti-F-Dianat-B-Catellani-A-Calzolari-A--Ge60Se40
# implementation = 2020--Tavanti-F--Ge60Se40--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  4.380755861e+00 
2.32  4.077063912e+00 
2.34  3.796769313e+00 
2.36  3.537802146e+00 
2.38  3.298475756e+00 
2.40  3.076965296e+00 
2.42  2.871655690e+00 
2.44  2.681296340e+00 
2.46  2.504904774e+00 
2.48  2.341302042e+00 
2.50  2.189462502e+00 
2.52  2.048568257e+00 
2.54  1.917818184e+00 
2.56  1.796213440e+00 
2.58  1.683004091e+00 
2.60  1.577439856e+00 
2.62  1.479010816e+00 
2.64  1.387188307e+00 
2.66  1.301484832e+00 
2.68  1.221432758e+00 
2.70  1.146691183e+00 
2.72  1.076988943e+00 
2.74  1.011737446e+00 
2.76  9.504733487e-01 
2.78  8.929030519e-01 
2.80  8.387658005e-01 
2.82  7.879680488e-01 
2.84  7.402716146e-01 
2.86  6.953790891e-01 
2.88  6.530903734e-01 
2.90  6.132310145e-01 
2.92  5.756799477e-01 
2.94  5.403858621e-01 
2.96  5.072081706e-01 
2.98  4.759386738e-01 
3.00  4.464310268e-01 
3.02  4.185759983e-01 
3.04  3.922350675e-01 
3.06  3.673228279e-01 
3.08  3.438646054e-01 
3.10  3.217780246e-01 
3.12  3.009280814e-01 
3.14  2.812019596e-01 
3.16  2.625350142e-01 
3.18  2.448670583e-01 
3.20  2.281140139e-01 
3.22  2.122707102e-01 
3.24  1.973565001e-01 
3.26  1.833241780e-01 
3.28  1.700961045e-01 
3.30  1.575353825e-01 
3.32  1.455999586e-01 
3.34  1.342563495e-01 
3.36  1.234733031e-01 
3.38  1.131790414e-01 
3.40  1.033123599e-01 
3.42  9.388593672e-02 
3.44  8.487854079e-02 
3.46  7.626833423e-02 
3.48  6.802850140e-02 
3.50  6.012672094e-02 
3.52  5.254505291e-02 
3.54  4.526711469e-02 
3.56  3.827757386e-02 
3.58  3.156207515e-02 
3.60  2.510717295e-02 
3.62  1.892585795e-02 
3.64  1.310849947e-02 
3.66  7.652331155e-03 
3.68  2.544350582e-03 
3.70 -2.227745167e-03 
3.72 -6.725108496e-03 
3.74 -1.104764946e-02 
3.76 -1.520531378e-02 
3.78 -1.920564418e-02 
3.80 -2.305572917e-02 
3.82 -2.676223265e-02 
3.84 -3.033142149e-02 
3.86 -3.378169545e-02 
3.88 -3.714030245e-02 
3.90 -4.037439123e-02 
3.92 -4.344685307e-02 
3.94 -4.636320175e-02 
3.96 -4.912869651e-02 
3.98 -5.174832650e-02 
4.00 -5.422682695e-02 
4.02 -5.657880838e-02 
4.04 -5.881843923e-02 
4.06 -6.094945865e-02 
4.08 -6.297541316e-02 
4.10 -6.489966803e-02 
4.12 -6.672541790e-02 
4.14 -6.845569680e-02 
4.16 -7.009338749e-02 
4.18 -7.164139941e-02 
4.20 -7.311991512e-02 
4.22 -7.454288269e-02 
4.24 -7.590411821e-02 
4.26 -7.718149852e-02 
4.28 -7.837569918e-02 
4.30 -7.948891458e-02 
4.32 -8.052324078e-02 
4.34 -8.148068085e-02 
4.36 -8.236314983e-02 
4.38 -8.317247948e-02 
4.40 -8.393142548e-02 
4.42 -8.467062533e-02 
4.44 -8.539115216e-02 
4.46 -8.609382409e-02 
4.48 -8.677940899e-02 
4.50 -8.744862744e-02 
4.52 -8.810215552e-02 
4.54 -8.874062743e-02 
4.56 -8.936463797e-02 
4.58 -8.997474484e-02 
4.60 -9.057147081e-02 
4.62 -9.115536021e-02 
4.64 -9.174368122e-02 
4.66 -9.234994202e-02 
4.68 -9.297416091e-02 
4.70 -9.359934059e-02 
4.72 -9.418888150e-02 
4.74 -9.474226847e-02 
4.76 -9.526025319e-02 
4.78 -9.574355880e-02 
4.80 -9.619288125e-02 
4.82 -9.660889055e-02 
4.84 -9.699223205e-02 
4.86 -9.734352758e-02 
4.88 -9.766337649e-02 
4.90 -9.795238326e-02 
4.92 -9.822220719e-02 
4.94 -9.848231489e-02 
4.96 -9.873296247e-02 
4.98 -9.897439266e-02 
5.00 -9.920683552e-02 
5.02 -9.943050910e-02 
5.04 -9.964562006e-02 
5.06 -9.985236430e-02 
5.08 -1.000509275e-01 
5.10 -1.002414857e-01 
5.12 -1.004242056e-01 
5.14 -1.005992455e-01 
5.16 -1.007667551e-01 
5.18 -1.009268766e-01 
5.20 -1.010797446e-01 
5.22 -1.012254868e-01 
5.24 -1.013642240e-01 
5.26 -1.014960710e-01 
5.28 -1.016211365e-01 
5.30 -1.017395233e-01 
5.32 -1.018513292e-01 
5.34 -1.019550625e-01 
5.36 -1.020303293e-01 
5.38 -1.020712213e-01 
5.40 -1.020781841e-01 
5.42 -1.020516536e-01 
5.44 -1.019920561e-01 
5.46 -1.018998085e-01 
5.48 -1.017753189e-01 
5.50 -1.016189868e-01 
5.52 -1.014312031e-01 
5.54 -1.012123507e-01 
5.56 -1.009628045e-01 
5.58 -1.006829319e-01 
5.60 -1.003730927e-01 
5.62 -1.000336397e-01 
5.64 -9.966491868e-02 
5.66 -9.926764560e-02 
5.68 -9.886136038e-02 
5.70 -9.845690878e-02 
5.72 -9.805426779e-02 
5.74 -9.765341327e-02 
5.76 -9.725432013e-02 
5.78 -9.685696233e-02 
5.80 -9.646131296e-02 
5.82 -9.606734435e-02 
5.84 -9.567502812e-02 
5.86 -9.528433520e-02 
5.88 -9.489523594e-02 
5.90 -9.450770016e-02 
5.92 -9.412169716e-02 
5.94 -9.373719582e-02 
5.96 -9.335416461e-02 
5.98 -9.297257165e-02 
6.00 -9.259238476e-02