# 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 = GeSe2
# 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  1.742986400e+01 
2.32  1.644716562e+01 
2.34  1.553024244e+01 
2.36  1.467391588e+01 
2.38  1.387383444e+01 
2.40  1.312541938e+01 
2.42  1.242456571e+01 
2.44  1.176792934e+01 
2.46  1.115279914e+01 
2.48  1.057609002e+01 
2.50  1.003507076e+01 
2.52  9.527475519e+00 
2.54  9.051098581e+00 
2.56  8.603335063e+00 
2.58  8.182133076e+00 
2.60  7.785408516e+00 
2.62  7.411653263e+00 
2.64  7.059360181e+00 
2.66  6.727129192e+00 
2.68  6.413613460e+00 
2.70  6.117734119e+00 
2.72  5.838601349e+00 
2.74  5.574664530e+00 
2.76  5.324657394e+00 
2.78  5.087690289e+00 
2.80  4.862936867e+00 
2.82  4.649955292e+00 
2.84  4.448016047e+00 
2.86  4.256273610e+00 
2.88  4.074102524e+00 
2.90  3.900942490e+00 
2.92  3.736355625e+00 
2.94  3.580060354e+00 
2.96  3.431596005e+00 
2.98  3.290364587e+00 
3.00  3.155908926e+00 
3.02  3.027858934e+00 
3.04  2.905776143e+00 
3.06  2.789328191e+00 
3.08  2.678449524e+00 
3.10  2.572854665e+00 
3.12  2.472150262e+00 
3.14  2.375995898e+00 
3.16  2.284159708e+00 
3.18  2.196423962e+00 
3.20  2.112514728e+00 
3.22  2.032330976e+00 
3.24  1.955835969e+00 
3.26  1.882856709e+00 
3.28  1.813158118e+00 
3.30  1.746380857e+00 
3.32  1.682372940e+00 
3.34  1.621003752e+00 
3.36  1.562150250e+00 
3.38  1.505590976e+00 
3.40  1.451127919e+00 
3.42  1.398739486e+00 
3.44  1.348335024e+00 
3.46  1.299824757e+00 
3.48  1.253110168e+00 
3.50  1.208082768e+00 
3.52  1.164666812e+00 
3.54  1.122791595e+00 
3.56  1.082390270e+00 
3.58  1.043399609e+00 
3.60  1.005759784e+00 
3.62  9.694680065e-01 
3.64  9.346856524e-01 
3.66  9.013793816e-01 
3.68  8.694955199e-01 
3.70  8.389830105e-01 
3.72  8.096866801e-01 
3.74  7.813689827e-01 
3.76  7.539870712e-01 
3.78  7.275041786e-01 
3.80  7.018853775e-01 
3.82  6.770974750e-01 
3.84  6.531089138e-01 
3.86  6.298587040e-01 
3.88  6.072646685e-01 
3.90  5.853800216e-01 
3.92  5.642677392e-01 
3.94  5.439017226e-01 
3.96  5.242569952e-01 
3.98  5.053097087e-01 
4.00  4.870370819e-01 
4.02  4.693955695e-01 
4.04  4.523430625e-01 
4.06  4.358603632e-01 
4.08  4.199291198e-01 
4.10  4.045317830e-01 
4.12  3.896515636e-01 
4.14  3.752723941e-01 
4.16  3.613788916e-01 
4.18  3.479559036e-01 
4.20  3.349457812e-01 
4.22  3.223067250e-01 
4.24  3.100440771e-01 
4.26  2.981970055e-01 
4.28  2.867569743e-01 
4.30  2.757125120e-01 
4.32  2.650526029e-01 
4.34  2.547666652e-01 
4.36  2.448445303e-01 
4.38  2.352764232e-01 
4.40  2.260077245e-01 
4.42  2.169670636e-01 
4.44  2.081469249e-01 
4.46  1.995405215e-01 
4.48  1.911413468e-01 
4.50  1.829431615e-01 
4.52  1.749399803e-01 
4.54  1.671260602e-01 
4.56  1.594958888e-01 
4.58  1.520441737e-01 
4.60  1.447658320e-01 
4.62  1.376558459e-01 
4.64  1.306678846e-01 
4.66  1.237651625e-01 
4.68  1.169444631e-01 
4.70  1.102384808e-01 
4.72  1.037212599e-01 
4.74  9.739100825e-02 
4.76  9.124336079e-02 
4.78  8.527410152e-02 
4.80  7.947915740e-02 
4.82  7.385459222e-02 
4.84  6.839660092e-02 
4.86  6.310150409e-02 
4.88  5.796574280e-02 
4.90  5.298581663e-02 
4.92  4.813449075e-02 
4.94  4.338932470e-02 
4.96  3.874777405e-02 
4.98  3.420738259e-02 
5.00  2.976577860e-02 
5.02  2.542067137e-02 
5.04  2.116984781e-02 
5.06  1.701116924e-02 
5.08  1.294256840e-02 
5.10  8.962046470e-03 
5.12  5.067670330e-03 
5.14  1.257569907e-03 
5.16 -2.470064353e-03 
5.18 -6.116983900e-03 
5.20 -9.684884378e-03 
5.22 -1.317540783e-02 
5.24 -1.659014479e-02 
5.26 -1.993063630e-02 
5.28 -2.319837583e-02 
5.30 -2.639481108e-02 
5.32 -2.952134577e-02 
5.34 -3.257600795e-02 
5.36 -3.551701865e-02 
5.38 -3.833305152e-02 
5.40 -4.102612261e-02 
5.42 -4.359819955e-02 
5.44 -4.605120312e-02 
5.46 -4.838700878e-02 
5.48 -5.060744810e-02 
5.50 -5.271431017e-02 
5.52 -5.470934293e-02 
5.54 -5.659425444e-02 
5.56 -5.837071413e-02 
5.58 -6.004035399e-02 
5.60 -6.160476972e-02 
5.62 -6.306552182e-02 
5.64 -6.442413663e-02 
5.66 -6.568291945e-02 
5.68 -6.688468540e-02 
5.70 -6.805350085e-02 
5.72 -6.919001067e-02 
5.74 -7.029484132e-02 
5.76 -7.136860149e-02 
5.78 -7.241188272e-02 
5.80 -7.342526002e-02 
5.82 -7.440929239e-02 
5.84 -7.536452346e-02 
5.86 -7.629148194e-02 
5.88 -7.719068217e-02 
5.90 -7.806262462e-02 
5.92 -7.890779631e-02 
5.94 -7.972667135e-02 
5.96 -8.051971125e-02 
5.98 -8.128736548e-02 
6.00 -8.203007174e-02