# 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 = Br2Cs
# 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  1.031165812e+06 
1.32  8.506280471e+05 
1.34  7.036793482e+05 
1.36  5.837080326e+05 
1.38  4.854738583e+05 
1.40  4.048093946e+05 
1.42  3.383890190e+05 
1.44  2.835506941e+05 
1.46  2.381568896e+05 
1.48  2.004858187e+05 
1.50  1.691466402e+05 
1.52  1.430129735e+05 
1.54  1.211693604e+05 
1.56  1.028704117e+05 
1.58  8.750711509e+04 
1.60  7.458081740e+04 
1.62  6.368240352e+04 
1.64  5.447500964e+04 
1.66  4.668091230e+04 
1.68  4.007052305e+04 
1.70  3.445350862e+04 
1.72  2.967181042e+04 
1.74  2.559405456e+04 
1.76  2.211057335e+04 
1.78  1.912968620e+04 
1.80  1.657468949e+04 
1.82  1.438122780e+04 
1.84  1.249518288e+04 
1.86  1.087094571e+04 
1.88  9.470097735e+03 
1.90  8.260185684e+03 
1.92  7.213701543e+03 
1.94  6.307314895e+03 
1.96  5.521180281e+03 
1.98  4.838463821e+03 
2.00  4.244804251e+03 
2.02  3.727937127e+03 
2.04  3.277378192e+03 
2.06  2.884146018e+03 
2.08  2.540533868e+03 
2.10  2.239955285e+03 
2.12  1.976727174e+03 
2.14  1.745958967e+03 
2.16  1.543433042e+03 
2.18  1.365509026e+03 
2.20  1.209032201e+03 
2.22  1.071276627e+03 
2.24  9.498999862e+02 
2.26  8.428556585e+02 
2.28  7.483643812e+02 
2.30  6.648799925e+02 
2.32  5.910565889e+02 
2.34  5.257213192e+02 
2.36  4.678480346e+02 
2.38  4.165380602e+02 
2.40  3.710207663e+02 
2.42  3.306117805e+02 
2.44  2.947112193e+02 
2.46  2.627940590e+02 
2.48  2.343993509e+02 
2.50  2.091216337e+02 
2.52  1.866048302e+02 
2.54  1.665352319e+02 
2.56  1.486364775e+02 
2.58  1.326632317e+02 
2.60  1.184012858e+02 
2.62  1.056620239e+02 
2.64  9.427745207e+01 
2.66  8.409892537e+01 
2.68  7.499406378e+01 
2.70  6.684745531e+01 
2.72  5.955552212e+01 
2.74  5.302634031e+01 
2.76  4.717849788e+01 
2.78  4.193938164e+01 
2.80  3.724416583e+01 
2.82  3.303569748e+01 
2.84  2.926313427e+01 
2.86  2.587886927e+01 
2.88  2.284364533e+01 
2.90  2.012240159e+01 
2.92  1.768270642e+01 
2.94  1.549558847e+01 
2.96  1.353515331e+01 
2.98  1.177817643e+01 
3.00  1.020390718e+01 
3.02  8.794013220e+00 
3.04  7.531815517e+00 
3.06  6.402392729e+00 
3.08  5.392394858e+00 
3.10  4.489847634e+00 
3.12  3.684004896e+00 
3.14  2.965217161e+00 
3.16  2.324814576e+00 
3.18  1.755002644e+00 
3.20  1.248769328e+00 
3.22  7.998022831e-01 
3.24  4.024151324e-01 
3.26  5.046539749e-02 
3.28 -2.597436511e-01 
3.30 -5.320948289e-01 
3.32 -7.703834708e-01 
3.34 -9.780540472e-01 
3.36 -1.158210236e+00 
3.38 -1.313649845e+00 
3.40 -1.446925583e+00 
3.42 -1.560337877e+00 
3.44 -1.656048325e+00 
3.46 -1.735985642e+00 
3.48 -1.801681931e+00 
3.50 -1.854693663e+00 
3.52 -1.896427842e+00 
3.54 -1.928155439e+00 
3.56 -1.951023489e+00 
3.58 -1.966066006e+00 
3.60 -1.974213873e+00 
3.62 -1.976303829e+00 
3.64 -1.973086680e+00 
3.66 -1.965234815e+00 
3.68 -1.953412820e+00 
3.70 -1.938097206e+00 
3.72 -1.919746382e+00 
3.74 -1.898785253e+00 
3.76 -1.875589819e+00 
3.78 -1.850491934e+00 
3.80 -1.823783735e+00 
3.82 -1.795721744e+00 
3.84 -1.766567247e+00 
3.86 -1.736474466e+00 
3.88 -1.705804405e+00 
3.90 -1.674530455e+00 
3.92 -1.642735494e+00 
3.94 -1.610537158e+00 
3.96 -1.578037458e+00 
3.98 -1.545324924e+00 
4.00 -1.512476401e+00 
4.02 -1.479558633e+00 
4.04 -1.446629657e+00 
4.06 -1.413740014e+00 
4.08 -1.380933797e+00 
4.10 -1.348249561e+00 
4.12 -1.315721093e+00 
4.14 -1.283378074e+00 
4.16 -1.251246645e+00 
4.18 -1.219349879e+00 
4.20 -1.187708190e+00 
4.22 -1.156551859e+00 
4.24 -1.125704775e+00 
4.26 -1.095109159e+00 
4.28 -1.064786950e+00 
4.30 -1.034757371e+00 
4.32 -1.005037264e+00 
4.34 -9.756413997e-01 
4.36 -9.465827639e-01 
4.38 -9.178728159e-01 
4.40 -8.895217285e-01 
4.42 -8.615386056e-01 
4.44 -8.339316797e-01 
4.46 -8.067084896e-01 
4.48 -7.798760403e-01 
4.50 -7.534409438e-01 
4.52 -7.274095425e-01 
4.54 -7.017880146e-01 
4.56 -6.765824634e-01 
4.58 -6.517989891e-01 
4.60 -6.274437446e-01 
4.62 -6.035229752e-01 
4.64 -5.800430439e-01 
4.66 -5.570101795e-01 
4.68 -5.344291591e-01 
4.70 -5.123091188e-01 
4.72 -4.906568204e-01 
4.74 -4.694790667e-01 
4.76 -4.487819850e-01 
4.78 -4.285719858e-01 
4.80 -4.088568476e-01 
4.82 -3.896429259e-01 
4.84 -3.709362923e-01 
4.86 -3.527426542e-01 
4.88 -3.350672729e-01 
4.90 -3.179148820e-01 
4.92 -3.012896069e-01 
4.94 -2.851948879e-01 
4.96 -2.696334070e-01 
4.98 -2.546070214e-01 
5.00 -2.401167025e-01 
5.02 -2.261624839e-01 
5.04 -2.127434172e-01 
5.06 -1.998575382e-01 
5.08 -1.875032045e-01 
5.10 -1.756932843e-01 
5.12 -1.644016297e-01 
5.14 -1.536223491e-01 
5.16 -1.433484931e-01 
5.18 -1.335720835e-01 
5.20 -1.242841515e-01 
5.22 -1.154747854e-01 
5.24 -1.071331856e-01 
5.26 -9.924772747e-02 
5.28 -9.180602985e-02 
5.30 -8.479502960e-02 
5.32 -7.820105990e-02 
5.34 -7.200993182e-02 
5.36 -6.620701816e-02 
5.38 -6.077733821e-02 
5.40 -5.570564258e-02 
5.42 -5.097649711e-02 
5.44 -4.657436489e-02 
5.46 -4.248368561e-02 
5.48 -3.868895138e-02 
5.50 -3.517477856e-02 
5.52 -3.192597480e-02 
5.54 -2.892760096e-02 
5.56 -2.616502756e-02 
5.58 -2.362398543e-02 
5.60 -2.129061043e-02 
5.62 -1.915148220e-02 
5.64 -1.719365690e-02 
5.66 -1.540469407e-02 
5.68 -1.377267779e-02 
5.70 -1.228623234e-02 
5.72 -1.093453265e-02 
5.74 -9.707309927e-03 
5.76 -8.594852707e-03 
5.78 -7.588003853e-03 
5.80 -6.678153798e-03 
5.82 -5.857230516e-03 
5.84 -5.117686604e-03 
5.86 -4.452483906e-03 
5.88 -3.855076060e-03 
5.90 -3.319389370e-03 
5.92 -2.839802362e-03 
5.94 -2.411124354e-03 
5.96 -2.096477893e-03 
5.98 -1.846678994e-03 
6.00 -1.620079755e-03