# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2011--Zhou-X-W-Doty-F-P-Yang-P--Li-Na-K-Rb-Cs-F-Cl-Br-I
# implementation = 2011--Zhou-X-W--Li-Na-K-Rb-Cs-F-Cl-Br-I--LAMMPS--ipr1
# composition = F2Rb
# 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  1.085210661e+06 
1.12  8.463041309e+05 
1.14  6.628353608e+05 
1.16  5.212944398e+05 
1.18  4.116164406e+05 
1.20  3.262666452e+05 
1.22  2.595757510e+05 
1.24  2.072570609e+05 
1.26  1.660555481e+05 
1.28  1.334885767e+05 
1.30  1.076538023e+05 
1.32  8.708907148e+04 
1.34  7.066360802e+04 
1.36  5.750216574e+04 
1.38  4.692309988e+04 
1.40  3.839336281e+04 
1.42  3.149596429e+04 
1.44  2.590270878e+04 
1.46  2.135409051e+04 
1.48  1.764528263e+04 
1.50  1.461350922e+04 
1.52  1.212889021e+04 
1.54  1.008749384e+04 
1.56  8.406523804e+03 
1.58  7.019194280e+03 
1.60  5.871669571e+03 
1.62  4.920417507e+03 
1.64  4.130232241e+03 
1.66  3.472551548e+03 
1.68  2.924103654e+03 
1.70  2.465886270e+03 
1.72  2.082321761e+03 
1.74  1.760603099e+03 
1.76  1.490418594e+03 
1.78  1.263144030e+03 
1.80  1.071663550e+03 
1.82  9.100909947e+02 
1.84  7.735517343e+02 
1.86  6.579661782e+02 
1.88  5.600205424e+02 
1.90  4.769307812e+02 
1.92  4.063563750e+02 
1.94  3.463418864e+02 
1.96  2.952499455e+02 
1.98  2.517087092e+02 
2.00  2.145654651e+02 
2.02  1.828406938e+02 
2.04  1.557223235e+02 
2.06  1.325309801e+02 
2.08  1.126808775e+02 
2.10  9.568156143e+01 
2.12  8.111629956e+01 
2.14  6.862966543e+01 
2.16  5.792157809e+01 
2.18  4.873625003e+01 
2.20  4.085566830e+01 
2.22  3.409414470e+01 
2.24  2.828175518e+01 
2.26  2.329073374e+01 
2.28  1.901271229e+01 
2.30  1.534788702e+01 
2.32  1.221074144e+01 
2.34  9.527257473e+00 
2.36  7.235081369e+00 
2.38  5.280528159e+00 
2.40  3.617036715e+00 
2.42  2.204540316e+00 
2.44  1.008530567e+00 
2.46 -7.389107813e-04 
2.48 -8.496619488e-01 
2.50 -1.559518548e+00 
2.52 -2.149421492e+00 
2.54 -2.636950053e+00 
2.56 -3.039541326e+00 
2.58 -3.364545054e+00 
2.60 -3.622863970e+00 
2.62 -3.824093496e+00 
2.64 -3.976018775e+00 
2.66 -4.085731987e+00 
2.68 -4.159388175e+00 
2.70 -4.202307741e+00 
2.72 -4.219088878e+00 
2.74 -4.213698473e+00 
2.76 -4.189577671e+00 
2.78 -4.149693576e+00 
2.80 -4.096609731e+00 
2.82 -4.032542043e+00 
2.84 -3.959406606e+00 
2.86 -3.878851070e+00 
2.88 -3.792298718e+00 
2.90 -3.701021805e+00 
2.92 -3.606095830e+00 
2.94 -3.508453335e+00 
2.96 -3.408903095e+00 
2.98 -3.308146444e+00 
3.00 -3.206791136e+00 
3.02 -3.105582193e+00 
3.04 -3.005726246e+00 
3.06 -2.906596136e+00 
3.08 -2.808342114e+00 
3.10 -2.711285198e+00 
3.12 -2.615696276e+00 
3.14 -2.521801500e+00 
3.16 -2.429786969e+00 
3.18 -2.339828642e+00 
3.20 -2.252043947e+00 
3.22 -2.166483267e+00 
3.24 -2.083236643e+00 
3.26 -2.002409440e+00 
3.28 -1.923919971e+00 
3.30 -1.847779218e+00 
3.32 -1.773982808e+00 
3.34 -1.702513462e+00 
3.36 -1.633343267e+00 
3.38 -1.566435754e+00 
3.40 -1.501747786e+00 
3.42 -1.439231249e+00 
3.44 -1.378834546e+00 
3.46 -1.320503895e+00 
3.48 -1.264184421e+00 
3.50 -1.209820685e+00 
3.52 -1.157357007e+00 
3.54 -1.106741668e+00 
3.56 -1.057922978e+00 
3.58 -1.010850720e+00 
3.60 -9.654765625e-01 
3.62 -9.217540823e-01 
3.64 -8.796386983e-01 
3.66 -8.390875362e-01 
3.68 -8.000655038e-01 
3.70 -7.628619727e-01 
3.72 -7.270321796e-01 
3.74 -6.925486661e-01 
3.76 -6.593842547e-01 
3.78 -6.275106272e-01 
3.80 -5.968983107e-01 
3.82 -5.675166920e-01 
3.84 -5.393340598e-01 
3.86 -5.123176756e-01 
3.88 -4.864338730e-01 
3.90 -4.616481810e-01 
3.92 -4.379254709e-01 
3.94 -4.152301215e-01 
3.96 -3.935261990e-01 
3.98 -3.728335827e-01 
4.00 -3.531640901e-01 
4.02 -3.343544814e-01 
4.04 -3.163720859e-01 
4.06 -2.991846418e-01 
4.08 -2.827604833e-01 
4.10 -2.670687117e-01 
4.12 -2.520793456e-01 
4.14 -2.377634482e-01 
4.16 -2.240932314e-01 
4.18 -2.110421342e-01 
4.20 -1.985848757e-01 
4.22 -1.866974838e-01 
4.24 -1.753572997e-01 
4.26 -1.645429609e-01 
4.28 -1.542343629e-01 
4.30 -1.444126047e-01 
4.32 -1.350597240e-01 
4.34 -1.261591867e-01 
4.36 -1.176952727e-01 
4.38 -1.096530820e-01 
4.40 -1.020184753e-01 
4.42 -9.477797191e-02 
4.44 -8.791865046e-02 
4.46 -8.142805289e-02 
4.48 -7.529409507e-02 
4.50 -6.956795289e-02 
4.52 -6.418477829e-02 
4.54 -5.910853567e-02 
4.56 -5.433031954e-02 
4.58 -4.984095523e-02 
4.60 -4.563100320e-02 
4.62 -4.169077176e-02 
4.64 -3.801033742e-02 
4.66 -3.457957188e-02 
4.68 -3.138817483e-02 
4.70 -2.842571145e-02 
4.72 -2.568165363e-02 
4.74 -2.314542383e-02 
4.76 -2.080644056e-02 
4.78 -1.865416461e-02 
4.80 -1.667814495e-02 
4.82 -1.486806356e-02 
4.84 -1.321377846e-02 
4.86 -1.170536416e-02 
4.88 -1.035235712e-02 
4.90 -9.193967319e-03 
4.92 -8.139645657e-03 
4.94 -7.182375911e-03 
4.96 -6.314730376e-03 
4.98 -5.530607454e-03 
5.00 -4.823797980e-03 
5.02 -4.188180397e-03 
5.04 -3.617919782e-03 
5.06 -3.107481516e-03 
5.08 -2.651640417e-03 
5.10 -2.245485724e-03 
5.12 -1.884422299e-03 
5.14 -1.564168482e-03 
5.16 -1.280751001e-03 
5.18 -1.030497346e-03 
5.20 -8.100260332e-04 
5.22 -7.187311045e-04 
5.24 -6.591942205e-04 
5.26 -6.039040100e-04 
5.28 -5.526135562e-04 
5.30 -5.050859480e-04 
5.32 -4.610941972e-04 
5.34 -4.204211303e-04 
5.36 -3.828592571e-04 
5.38 -3.482106172e-04 
5.40 -3.162866067e-04 
5.42 -2.869077873e-04 
5.44 -2.599036786e-04 
5.46 -2.351125368e-04 
5.48 -2.123811195e-04 
5.50 -1.915644414e-04 
5.52 -1.725255189e-04 
5.54 -1.551351085e-04 
5.56 -1.392714385e-04 
5.58 -1.248199361e-04 
5.60 -1.116729517e-04 
5.62 -9.972948098e-05 
5.64 -8.889488689e-05 
5.66 -7.908062179e-05 
5.68 -7.020395151e-05 
5.70 -6.218768212e-05 
5.72 -5.495989020e-05 
5.74 -4.845365767e-05 
5.76 -4.260681168e-05 
5.78 -3.736167046e-05 
5.80 -3.266479554e-05 
5.82 -2.846675094e-05 
5.84 -2.472186967e-05 
5.86 -2.138802803e-05 
5.88 -1.842642787e-05 
5.90 -1.580138713e-05 
5.92 -1.348013873e-05 
5.94 -1.143263804e-05 
5.96 -9.631378880e-06 
5.98 -8.051218054e-06 
6.00 -6.669208513e-06