# 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 = BrK2
# 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  1.175734994e+08 
1.22  8.831596510e+07 
1.24  6.664625476e+07 
1.26  5.051886520e+07 
1.28  3.846008818e+07 
1.30  2.940263018e+07 
1.32  2.256962331e+07 
1.34  1.739282549e+07 
1.36  1.345462137e+07 
1.38  1.044668038e+07 
1.40  8.140341985e+06 
1.42  6.365294055e+06 
1.44  4.994149547e+06 
1.46  3.931238308e+06 
1.48  3.104424004e+06 
1.50  2.459105545e+06 
1.52  1.953798781e+06 
1.54  1.556870175e+06 
1.56  1.244112272e+06 
1.58  9.969358949e+05 
1.60  8.010181448e+05 
1.62  6.452871618e+05 
1.64  5.211567641e+05 
1.66  4.219474781e+05 
1.68  3.424475099e+05 
1.70  2.785781716e+05 
1.72  2.271382276e+05 
1.74  1.856079952e+05 
1.76  1.519989049e+05 
1.78  1.247372780e+05 
1.80  1.025745571e+05 
1.82  8.451743653e+04 
1.84  6.977384742e+04 
1.86  5.771060804e+04 
1.88  4.782034070e+04 
1.90  3.969553882e+04 
1.92  3.300812746e+04 
1.94  2.749342107e+04 
1.96  2.293740680e+04 
1.98  1.916667044e+04 
2.00  1.604040444e+04 
2.02  1.344406303e+04 
2.04  1.128422979e+04 
2.06  9.484600600e+03 
2.08  7.982739959e+03 
2.10  6.727454873e+03 
2.12  5.676694492e+03 
2.14  4.795857291e+03 
2.16  4.056419786e+03 
2.18  3.434838613e+03 
2.20  2.911620658e+03 
2.22  2.470628197e+03 
2.24  2.098470545e+03 
2.26  1.784019103e+03 
2.28  1.518011201e+03 
2.30  1.292725596e+03 
2.32  1.101716495e+03 
2.34  9.395952393e+02 
2.36  8.018520043e+02 
2.38  6.847048043e+02 
2.40  5.849773782e+02 
2.42  5.000012818e+02 
2.44  4.275306584e+02 
2.46  3.656735028e+02 
2.48  3.128335483e+02 
2.50  2.676620669e+02 
2.52  2.290186154e+02 
2.54  1.959380732e+02 
2.56  1.676020898e+02 
2.58  1.433163214e+02 
2.60  1.224910212e+02 
2.62  1.046265564e+02 
2.64  8.929464455e+01 
2.66  7.613099388e+01 
2.68  6.482567829e+01 
2.70  5.511422153e+01 
2.72  4.677068021e+01 
2.74  3.960164465e+01 
2.76  3.344202915e+01 
2.78  2.815038396e+01 
2.80  2.360532288e+01 
2.82  1.970274838e+01 
2.84  1.635332205e+01 
2.86  1.348031244e+01 
2.88  1.101777119e+01 
2.90  8.908982102e+00 
2.92  7.105139766e+00 
2.94  5.564222598e+00 
2.96  4.250030884e+00 
2.98  3.131651612e+00 
3.00  2.181875432e+00 
3.02  1.377458925e+00 
3.04  6.983812042e-01 
3.06  1.273242316e-01 
3.08 -3.506556751e-01 
3.10 -7.483764031e-01 
3.12 -1.076986137e+00 
3.14 -1.346121464e+00 
3.16 -1.564114987e+00 
3.18 -1.738174132e+00 
3.20 -1.874535203e+00 
3.22 -1.978596159e+00 
3.24 -2.055031077e+00 
3.26 -2.107888828e+00 
3.28 -2.140678147e+00 
3.30 -2.156440959e+00 
3.32 -2.157815558e+00 
3.34 -2.147091033e+00 
3.36 -2.126254126e+00 
3.38 -2.097018842e+00 
3.40 -2.060895236e+00 
3.42 -2.019182696e+00 
3.44 -1.973009163e+00 
3.46 -1.923352795e+00 
3.48 -1.871060541e+00 
3.50 -1.816864772e+00 
3.52 -1.761400905e+00 
3.54 -1.705292174e+00 
3.56 -1.648898106e+00 
3.58 -1.592621651e+00 
3.60 -1.536801714e+00 
3.62 -1.481722630e+00 
3.64 -1.427620360e+00 
3.66 -1.374687981e+00 
3.68 -1.323080580e+00 
3.70 -1.272919651e+00 
3.72 -1.224297044e+00 
3.74 -1.177278559e+00 
3.76 -1.131907203e+00 
3.78 -1.088206169e+00 
3.80 -1.046181544e+00 
3.82 -1.005824801e+00 
3.84 -9.671150549e-01 
3.86 -9.300211310e-01 
3.88 -8.945034301e-01 
3.90 -8.605156172e-01 
3.92 -8.280061340e-01 
3.94 -7.969194567e-01 
3.96 -7.671973152e-01 
3.98 -7.387802144e-01 
4.00 -7.116076033e-01 
4.02 -6.856189304e-01 
4.04 -6.607542805e-01 
4.06 -6.369548961e-01 
4.08 -6.141635969e-01 
4.10 -5.923251050e-01 
4.12 -5.713862888e-01 
4.14 -5.512963341e-01 
4.16 -5.320068537e-01 
4.18 -5.134719445e-01 
4.20 -4.956482015e-01 
4.22 -4.786007868e-01 
4.24 -4.621951031e-01 
4.26 -4.463589602e-01 
4.28 -4.310630713e-01 
4.30 -4.162796426e-01 
4.32 -4.020003244e-01 
4.34 -3.883122081e-01 
4.36 -3.750324559e-01 
4.38 -3.621436296e-01 
4.40 -3.496290098e-01 
4.42 -3.374726215e-01 
4.44 -3.256592547e-01 
4.46 -3.141744812e-01 
4.48 -3.030046674e-01 
4.50 -2.921369821e-01 
4.52 -2.815594005e-01 
4.54 -2.712607039e-01 
4.56 -2.612304751e-01 
4.58 -2.514590897e-01 
4.60 -2.419377026e-01 
4.62 -2.326582312e-01 
4.64 -2.236133341e-01 
4.66 -2.147967879e-01 
4.68 -2.062025015e-01 
4.70 -1.978248879e-01 
4.72 -1.896592821e-01 
4.74 -1.817016007e-01 
4.76 -1.739473112e-01 
4.78 -1.663928726e-01 
4.80 -1.590374567e-01 
4.82 -1.518788416e-01 
4.84 -1.449149914e-01 
4.86 -1.381445559e-01 
4.88 -1.315662397e-01 
4.90 -1.251789576e-01 
4.92 -1.189817863e-01 
4.94 -1.129739172e-01 
4.96 -1.071546111e-01 
4.98 -1.015231545e-01 
5.00 -9.607881845e-02 
5.02 -9.082082010e-02 
5.04 -8.574828692e-02 
5.06 -8.086022435e-02 
5.08 -7.615548679e-02 
5.10 -7.163275219e-02 
5.12 -6.729050036e-02 
5.14 -6.312699504e-02 
5.16 -5.914026980e-02 
5.18 -5.532811774e-02 
5.20 -5.168808495e-02 
5.22 -4.821746749e-02 
5.24 -4.491331200e-02 
5.26 -4.177241954e-02 
5.28 -3.879135249e-02 
5.30 -3.596644436e-02 
5.32 -3.329381219e-02 
5.34 -3.076937118e-02 
5.36 -2.838885143e-02 
5.38 -2.614781631e-02 
5.40 -2.404168223e-02 
5.42 -2.206573953e-02 
5.44 -2.021517413e-02 
5.46 -1.848508960e-02 
5.48 -1.687052954e-02 
5.50 -1.536649978e-02 
5.52 -1.396799027e-02 
5.54 -1.266999646e-02 
5.56 -1.146753984e-02 
5.58 -1.035568758e-02 
5.60 -9.329571013e-03 
5.62 -8.384402869e-03 
5.64 -7.515493171e-03 
5.66 -6.718263654e-03 
5.68 -5.988260685e-03 
5.70 -5.321167886e-03 
5.72 -4.722236115e-03 
5.74 -4.178063798e-03 
5.76 -3.683205283e-03 
5.78 -3.234165101e-03 
5.80 -2.827595747e-03 
5.82 -2.460302270e-03 
5.84 -2.129245385e-03 
5.86 -1.831543212e-03 
5.88 -1.564471743e-03 
5.90 -1.325464148e-03 
5.92 -1.112109046e-03 
5.94 -9.221478409e-04 
5.96 -7.534712381e-04 
5.98 -6.041150646e-04 
6.00 -4.722554878e-04