# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2022--Guo-J-Ward-L-Babuji-Y-et-al--Li-K-Cl
# implementation = 2022--Guo-J--Li-K-Cl--LAMMPS--ipr1
# composition = 1932
# 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 2022-12-14

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  9.613785281e+01 
1.04  9.014252720e+01 
1.06  8.457959087e+01 
1.08  7.943189071e+01 
1.10  7.462289868e+01 
1.12  7.015028820e+01 
1.14  6.602147431e+01 
1.16  6.214009369e+01 
1.18  5.848885058e+01 
1.20  5.503175415e+01 
1.22  5.174158417e+01 
1.24  4.866960479e+01 
1.26  4.583604326e+01 
1.28  4.321754867e+01 
1.30  4.078119442e+01 
1.32  3.851365388e+01 
1.34  3.640457503e+01 
1.36  3.439536186e+01 
1.38  3.247566586e+01 
1.40  3.069282435e+01 
1.42  2.905116780e+01 
1.44  2.756389267e+01 
1.46  2.621641049e+01 
1.48  2.498094324e+01 
1.50  2.383846253e+01 
1.52  2.277081243e+01 
1.54  2.176272468e+01 
1.56  2.080199321e+01 
1.58  1.987730640e+01 
1.60  1.896494936e+01 
1.62  1.805909318e+01 
1.64  1.716992681e+01 
1.66  1.631212462e+01 
1.68  1.548571825e+01 
1.70  1.468873067e+01 
1.72  1.392372955e+01 
1.74  1.319845396e+01 
1.76  1.249521405e+01 
1.78  1.180670035e+01 
1.80  1.113056594e+01 
1.82  1.046877254e+01 
1.84  9.831123444e+00 
1.86  9.221787947e+00 
1.88  8.643040673e+00 
1.90  8.096763838e+00 
1.92  7.585527107e+00 
1.94  7.113650479e+00 
1.96  6.681773221e+00 
1.98  6.291508597e+00 
2.00  5.927179187e+00 
2.02  5.576918044e+00 
2.04  5.233885196e+00 
2.06  4.893424926e+00 
2.08  4.553402961e+00 
2.10  4.214734655e+00 
2.12  3.887708448e+00 
2.14  3.573649410e+00 
2.16  3.271947375e+00 
2.18  2.981034872e+00 
2.20  2.699460317e+00 
2.22  2.426426727e+00 
2.24  2.162036633e+00 
2.26  1.907391026e+00 
2.28  1.664475787e+00 
2.30  1.436094206e+00 
2.32  1.227556484e+00 
2.34  1.041808764e+00 
2.36  8.803710724e-01 
2.38  7.365547577e-01 
2.40  6.070232151e-01 
2.42  4.900680746e-01 
2.44  3.838842857e-01 
2.46  2.866638953e-01 
2.48  1.973558816e-01 
2.50  1.151235907e-01 
2.52  3.870201435e-02 
2.54 -3.293172673e-02 
2.56 -1.005695602e-01 
2.58 -1.638300242e-01 
2.60 -2.209871350e-01 
2.62 -2.734631000e-01 
2.64 -3.229087346e-01 
2.66 -3.707680124e-01 
2.68 -4.181374000e-01 
2.70 -4.657171552e-01 
2.72 -5.138833167e-01 
2.74 -5.628473187e-01 
2.76 -6.128216665e-01 
2.78 -6.641167822e-01 
2.80 -7.171467036e-01 
2.82 -7.723718595e-01 
2.84 -8.302222357e-01 
2.86 -8.910287466e-01 
2.88 -9.549683361e-01 
2.90 -1.022017471e+00 
2.92 -1.091914265e+00 
2.94 -1.164144538e+00 
2.96 -1.237975316e+00 
2.98 -1.311998532e+00 
3.00 -1.384892361e+00 
3.02 -1.455842239e+00 
3.04 -1.522705482e+00 
3.06 -1.584419268e+00 
3.08 -1.640156520e+00 
3.10 -1.689318836e+00 
3.12 -1.735596916e+00 
3.14 -1.779958883e+00 
3.16 -1.822322565e+00 
3.18 -1.862539872e+00 
3.20 -1.900449938e+00 
3.22 -1.935937313e+00 
3.24 -1.968976558e+00 
3.26 -1.999651984e+00 
3.28 -2.028151637e+00 
3.30 -2.054742255e+00 
3.32 -2.079734671e+00 
3.34 -2.103448349e+00 
3.36 -2.126181814e+00 
3.38 -2.148194171e+00 
3.40 -2.169701586e+00 
3.42 -2.190890491e+00 
3.44 -2.211945496e+00 
3.46 -2.233084839e+00 
3.48 -2.254591519e+00 
3.50 -2.276826811e+00 
3.52 -2.300216379e+00 
3.54 -2.325207281e+00 
3.56 -2.352203507e+00 
3.58 -2.381494764e+00 
3.60 -2.413195394e+00 
3.62 -2.447207969e+00 
3.64 -2.482589349e+00 
3.66 -2.517486475e+00 
3.68 -2.551759291e+00 
3.70 -2.585357497e+00 
3.72 -2.618238714e+00 
3.74 -2.650371276e+00 
3.76 -2.681736978e+00 
3.78 -2.712333735e+00 
3.80 -2.742178074e+00 
3.82 -2.771307293e+00 
3.84 -2.799781041e+00 
3.86 -2.827681986e+00 
3.88 -2.855115181e+00 
3.90 -2.882205719e+00 
3.92 -2.909094375e+00 
3.94 -2.935931079e+00 
3.96 -2.962866318e+00 
3.98 -2.990040918e+00 
4.00 -3.017574897e+00 
4.02 -3.045556395e+00 
4.04 -3.074031757e+00 
4.06 -3.102997832e+00 
4.08 -3.132397316e+00 
4.10 -3.162117635e+00 
4.12 -3.191993454e+00 
4.14 -3.221812495e+00 
4.16 -3.251324056e+00 
4.18 -3.280249458e+00 
4.20 -3.308293585e+00 
4.22 -3.335156816e+00 
4.24 -3.360546734e+00 
4.26 -3.384189170e+00 
4.28 -3.406155229e+00 
4.30 -3.426476632e+00 
4.32 -3.444773331e+00 
4.34 -3.460719270e+00 
4.36 -3.474067778e+00 
4.38 -3.484672440e+00 
4.40 -3.492500649e+00 
4.42 -3.497637082e+00 
4.44 -3.500275989e+00 
4.46 -3.500703129e+00 
4.48 -3.499270020e+00 
4.50 -3.496364329e+00 
4.52 -3.492380472e+00 
4.54 -3.487693861e+00 
4.56 -3.482641035e+00 
4.58 -3.477506549e+00 
4.60 -3.472516318e+00 
4.62 -3.467836258e+00 
4.64 -3.463574774e+00 
4.66 -3.459787583e+00 
4.68 -3.456483681e+00 
4.70 -3.453631611e+00 
4.72 -3.451165591e+00 
4.74 -3.448991379e+00 
4.76 -3.446991961e+00 
4.78 -3.445033239e+00 
4.80 -3.442969869e+00 
4.82 -3.440651300e+00 
4.84 -3.437927899e+00 
4.86 -3.434656911e+00 
4.88 -3.430707860e+00 
4.90 -3.425967002e+00 
4.92 -3.420340428e+00 
4.94 -3.413611658e+00 
4.96 -3.405519007e+00 
4.98 -3.395936183e+00 
5.00 -3.384765285e+00 
5.02 -3.371939328e+00 
5.04 -3.357424196e+00 
5.06 -3.341220166e+00 
5.08 -3.323363088e+00 
5.10 -3.303925231e+00 
5.12 -3.283015658e+00 
5.14 -3.260741642e+00 
5.16 -3.237162833e+00 
5.18 -3.212497956e+00 
5.20 -3.187000306e+00 
5.22 -3.160936281e+00 
5.24 -3.134574345e+00 
5.26 -3.108174563e+00 
5.28 -3.081979517e+00 
5.30 -3.056207204e+00 
5.32 -3.031046251e+00 
5.34 -3.006653500e+00 
5.36 -2.983153788e+00 
5.38 -2.960641559e+00 
5.40 -2.939183873e+00 
5.42 -2.918824295e+00 
5.44 -2.899587234e+00 
5.46 -2.881482294e+00 
5.48 -2.864508326e+00 
5.50 -2.848656932e+00 
5.52 -2.833915269e+00 
5.54 -2.820268063e+00 
5.56 -2.807698839e+00 
5.58 -2.796190415e+00 
5.60 -2.785724756e+00 
5.62 -2.776282346e+00 
5.64 -2.767841219e+00 
5.66 -2.760375826e+00 
5.68 -2.753855885e+00 
5.70 -2.748245350e+00 
5.72 -2.743501582e+00 
5.74 -2.739574779e+00 
5.76 -2.736407679e+00 
5.78 -2.733935510e+00 
5.80 -2.732086153e+00 
5.82 -2.730780444e+00 
5.84 -2.729932582e+00 
5.86 -2.729450571e+00 
5.88 -2.729236677e+00 
5.90 -2.729187880e+00 
5.92 -2.729196325e+00 
5.94 -2.729196325e+00 
5.96 -2.729196325e+00 
5.98 -2.729196325e+00 
6.00 -2.729196325e+00