# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2008--Chenoweth-K-van-Duin-A-C-T-Goddard-W-A--C-H-O
# implementation = 2008--Chenoweth-K--C-H-O--LAMMPS--ipr1
# composition = H2O
# 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 2022-05-24

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 -2.003838288e+01 
1.56 -2.141923017e+01 
1.58 -2.242867952e+01 
1.60 -2.310162600e+01 
1.62 -2.346605706e+01 
1.64 -2.354370243e+01 
1.66 -2.335057097e+01 
1.68 -2.289616491e+01 
1.70 -2.221761621e+01 
1.72 -2.134469789e+01 
1.74 -2.031110067e+01 
1.76 -1.914710602e+01 
1.78 -1.790176602e+01 
1.80 -1.661143057e+01 
1.82 -1.530969400e+01 
1.84 -1.406308088e+01 
1.86 -1.285045246e+01 
1.88 -1.168644492e+01 
1.90 -1.058470942e+01 
1.92 -9.557009483e+00 
1.94 -8.612541053e+00 
1.96 -7.757431070e+00 
1.98 -6.994848604e+00 
2.00 -6.325267746e+00 
2.02 -5.746769851e+00 
2.04 -5.255308693e+00 
2.06 -4.845008688e+00 
2.08 -4.508734005e+00 
2.10 -4.238657313e+00 
2.12 -4.026653739e+00 
2.14 -3.864662750e+00 
2.16 -3.744945769e+00 
2.18 -3.660532936e+00 
2.20 -3.604082339e+00 
2.22 -3.570492763e+00 
2.24 -3.554703784e+00 
2.26 -3.552548505e+00 
2.28 -3.599032757e+00 
2.30 -3.666200879e+00 
2.32 -3.726337216e+00 
2.34 -3.779906930e+00 
2.36 -3.827322595e+00 
2.38 -3.869000800e+00 
2.40 -3.905364806e+00 
2.42 -3.936845901e+00 
2.44 -3.963892448e+00 
2.46 -3.986954708e+00 
2.48 -4.006439007e+00 
2.50 -4.022701423e+00 
2.52 -4.036051273e+00 
2.54 -4.046761726e+00 
2.56 -4.055079883e+00 
2.58 -4.061229067e+00 
2.60 -4.065410205e+00 
2.62 -4.067803122e+00 
2.64 -4.068570050e+00 
2.66 -4.067864031e+00 
2.68 -4.065821890e+00 
2.70 -4.062552526e+00 
2.72 -4.058136432e+00 
2.74 -4.052626500e+00 
2.76 -4.046050437e+00 
2.78 -4.038426881e+00 
2.80 -4.029779171e+00 
2.82 -4.020136720e+00 
2.84 -4.009535411e+00 
2.86 -3.998017993e+00 
2.88 -3.985634465e+00 
2.90 -3.972442496e+00 
2.92 -3.958510455e+00 
2.94 -3.943923141e+00 
2.96 -3.928775888e+00 
2.98 -3.913157755e+00 
3.00 -3.897147590e+00 
3.02 -3.880814373e+00 
3.04 -3.864217553e+00 
3.06 -3.847407384e+00 
3.08 -3.830425464e+00 
3.10 -3.813308442e+00 
3.12 -3.796092430e+00 
3.14 -3.778813662e+00 
3.16 -3.761508644e+00 
3.18 -3.744214292e+00 
3.20 -3.726968071e+00 
3.22 -3.709808109e+00 
3.24 -3.692773326e+00 
3.26 -3.675903547e+00 
3.28 -3.659239620e+00 
3.30 -3.642823532e+00 
3.32 -3.626698535e+00 
3.34 -3.610909266e+00 
3.36 -3.595500710e+00 
3.38 -3.580513045e+00 
3.40 -3.565979268e+00 
3.42 -3.551925296e+00 
3.44 -3.538370109e+00 
3.46 -3.525325866e+00 
3.48 -3.512797984e+00 
3.50 -3.500785189e+00 
3.52 -3.489279522e+00 
3.54 -3.478266319e+00 
3.56 -3.467724846e+00 
3.58 -3.457632381e+00 
3.60 -3.447966711e+00 
3.62 -3.438706220e+00 
3.64 -3.429829865e+00 
3.66 -3.421317153e+00 
3.68 -3.413148133e+00 
3.70 -3.405303374e+00 
3.72 -3.397763969e+00 
3.74 -3.390511519e+00 
3.76 -3.383528140e+00 
3.78 -3.376796457e+00 
3.80 -3.370299615e+00 
3.82 -3.364021279e+00 
3.84 -3.357945644e+00 
3.86 -3.352057448e+00 
3.88 -3.346341982e+00 
3.90 -3.340785327e+00 
3.92 -3.335375325e+00 
3.94 -3.330102071e+00 
3.96 -3.324957977e+00 
3.98 -3.319937830e+00 
4.00 -3.315038493e+00 
4.02 -3.310257277e+00 
4.04 -3.305591121e+00 
4.06 -3.301036560e+00 
4.08 -3.296589724e+00 
4.10 -3.292246331e+00 
4.12 -3.288001681e+00 
4.14 -3.283850652e+00 
4.16 -3.279787691e+00 
4.18 -3.275806808e+00 
4.20 -3.271901570e+00 
4.22 -3.268065087e+00 
4.24 -3.264290012e+00 
4.26 -3.260568528e+00 
4.28 -3.256892341e+00 
4.30 -3.253252672e+00 
4.32 -3.249640249e+00 
4.34 -3.246045303e+00 
4.36 -3.242457701e+00 
4.38 -3.238867394e+00 
4.40 -3.235264567e+00 
4.42 -3.231639655e+00 
4.44 -3.227983354e+00 
4.46 -3.224286632e+00 
4.48 -3.220540740e+00 
4.50 -3.216737228e+00 
4.52 -3.212867951e+00 
4.54 -3.208925088e+00 
4.56 -3.204901150e+00 
4.58 -3.200788994e+00 
4.60 -3.196581835e+00 
4.62 -3.192273258e+00 
4.64 -3.187857232e+00 
4.66 -3.183328118e+00 
4.68 -3.178680683e+00 
4.70 -3.173910110e+00 
4.72 -3.169012008e+00 
4.74 -3.163982421e+00 
4.76 -3.158817838e+00 
4.78 -3.153515201e+00 
4.80 -3.148071911e+00 
4.82 -3.142485835e+00 
4.84 -3.136755313e+00 
4.86 -3.130879163e+00 
4.88 -3.124856679e+00 
4.90 -3.118687642e+00 
4.92 -3.112372314e+00 
4.94 -3.105911443e+00 
4.96 -3.099306263e+00 
4.98 -3.092558487e+00 
5.00 -3.085670310e+00 
5.02 -3.078644409e+00 
5.04 -3.071484013e+00 
5.06 -3.064192972e+00 
5.08 -3.056775756e+00 
5.10 -3.049237445e+00 
5.12 -3.041583720e+00 
5.14 -3.033820853e+00 
5.16 -3.025955694e+00 
5.18 -3.017995655e+00 
5.20 -3.009948703e+00 
5.22 -3.001823339e+00 
5.24 -2.993628570e+00 
5.26 -2.985373588e+00 
5.28 -2.977067375e+00 
5.30 -2.968718643e+00 
5.32 -2.960335836e+00 
5.34 -2.951927117e+00 
5.36 -2.943500375e+00 
5.38 -2.935063212e+00 
5.40 -2.926622951e+00 
5.42 -2.918186626e+00 
5.44 -2.909760992e+00 
5.46 -2.901352517e+00 
5.48 -2.892967386e+00 
5.50 -2.884611504e+00 
5.52 -2.876290496e+00 
5.54 -2.868009711e+00 
5.56 -2.859774223e+00 
5.58 -2.851588835e+00 
5.60 -2.843458083e+00 
5.62 -2.835386238e+00 
5.64 -2.827377312e+00 
5.66 -2.819435059e+00 
5.68 -2.811562980e+00 
5.70 -2.803764332e+00 
5.72 -2.796042121e+00 
5.74 -2.788399120e+00 
5.76 -2.780837860e+00 
5.78 -2.773360644e+00 
5.80 -2.765969546e+00 
5.82 -2.758666417e+00 
5.84 -2.751452887e+00 
5.86 -2.744330369e+00 
5.88 -2.737300067e+00 
5.90 -2.730362972e+00 
5.92 -2.723519872e+00 
5.94 -2.716771350e+00 
5.96 -2.710117793e+00 
5.98 -2.703559386e+00 
6.00 -2.697096125e+00