# 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 = ClK2
# 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  5.073856214e+05 
1.20  4.104735912e+05 
1.22  3.332172333e+05 
1.24  2.714029269e+05 
1.26  2.217679479e+05 
1.28  1.817747989e+05 
1.30  1.494437191e+05 
1.32  1.232214628e+05 
1.34  1.018873183e+05 
1.36  8.447724169e+04 
1.38  7.022773675e+04 
1.40  5.853176324e+04 
1.42  4.890503040e+04 
1.44  4.096046864e+04 
1.46  3.438673493e+04 
1.48  2.893356760e+04 
1.50  2.439896642e+04 
1.52  2.061899039e+04 
1.54  1.746073631e+04 
1.56  1.481611442e+04 
1.58  1.259659670e+04 
1.60  1.072986352e+04 
1.62  9.156626314e+03 
1.64  7.828085346e+03 
1.66  6.703889671e+03 
1.68  5.750784560e+03 
1.70  4.941233915e+03 
1.72  4.252409741e+03 
1.74  3.665212160e+03 
1.76  3.163790481e+03 
1.78  2.734891810e+03 
1.80  2.367430471e+03 
1.82  2.052112739e+03 
1.84  1.781107222e+03 
1.86  1.547835062e+03 
1.88  1.346748390e+03 
1.90  1.173159412e+03 
1.92  1.023112244e+03 
1.94  8.932465668e+02 
1.96  7.806767749e+02 
1.98  6.829742280e+02 
2.00  5.980689778e+02 
2.02  5.241941342e+02 
2.04  4.598396987e+02 
2.06  4.037150566e+02 
2.08  3.547240605e+02 
2.10  3.118991807e+02 
2.12  2.744235637e+02 
2.14  2.415945253e+02 
2.16  2.128065285e+02 
2.18  1.875362839e+02 
2.20  1.653332972e+02 
2.22  1.458072605e+02 
2.24  1.286199517e+02 
2.26  1.134814791e+02 
2.28  1.001331643e+02 
2.30  8.835364132e+01 
2.32  7.795060764e+01 
2.34  6.875533916e+01 
2.36  6.062273964e+01 
2.38  5.342522041e+01 
2.40  4.705113501e+01 
2.42  4.140283170e+01 
2.44  3.639479774e+01 
2.46  3.195208433e+01 
2.48  2.800895318e+01 
2.50  2.451000355e+01 
2.52  2.140193479e+01 
2.54  1.863990228e+01 
2.56  1.618471527e+01 
2.58  1.400184259e+01 
2.60  1.206083187e+01 
2.62  1.033476286e+01 
2.64  8.799939112e+00 
2.66  7.435360209e+00 
2.68  6.222585995e+00 
2.70  5.145023233e+00 
2.72  4.188000618e+00 
2.74  3.338339101e+00 
2.76  2.584598155e+00 
2.78  1.916822591e+00 
2.80  1.325886043e+00 
2.82  8.036433376e-01 
2.84  3.432134040e-01 
2.86 -6.272738897e-02 
2.88 -4.194389814e-01 
2.90 -7.320165813e-01 
2.92 -1.005063062e+00 
2.94 -1.242685828e+00 
2.96 -1.448551257e+00 
2.98 -1.625933043e+00 
3.00 -1.777755243e+00 
3.02 -1.906630672e+00 
3.04 -2.014895247e+00 
3.06 -2.104673573e+00 
3.08 -2.177854317e+00 
3.10 -2.236038352e+00 
3.12 -2.280737420e+00 
3.14 -2.313310925e+00 
3.16 -2.334984098e+00 
3.18 -2.346864273e+00 
3.20 -2.349955386e+00 
3.22 -2.345170830e+00 
3.24 -2.333344764e+00 
3.26 -2.315241978e+00 
3.28 -2.291557490e+00 
3.30 -2.262949367e+00 
3.32 -2.230023706e+00 
3.34 -2.193340216e+00 
3.36 -2.153420064e+00 
3.38 -2.110725915e+00 
3.40 -2.065711865e+00 
3.42 -2.018833592e+00 
3.44 -1.970484365e+00 
3.46 -1.921018845e+00 
3.48 -1.870769094e+00 
3.50 -1.820039181e+00 
3.52 -1.769105482e+00 
3.54 -1.718307662e+00 
3.56 -1.667785585e+00 
3.58 -1.617701501e+00 
3.60 -1.568230145e+00 
3.62 -1.519520681e+00 
3.64 -1.471697955e+00 
3.66 -1.424863945e+00 
3.68 -1.379099378e+00 
3.70 -1.334465491e+00 
3.72 -1.291005888e+00 
3.74 -1.248748463e+00 
3.76 -1.207707349e+00 
3.78 -1.167884832e+00 
3.80 -1.129273216e+00 
3.82 -1.091856593e+00 
3.84 -1.055612482e+00 
3.86 -1.020513338e+00 
3.88 -9.865278910e-01 
3.90 -9.536223258e-01 
3.92 -9.217612893e-01 
3.94 -8.909086542e-01 
3.96 -8.610282317e-01 
3.98 -8.320847550e-01 
4.00 -8.040436282e-01 
4.02 -7.768714849e-01 
4.04 -7.508439616e-01 
4.06 -7.255966163e-01 
4.08 -7.010615766e-01 
4.10 -6.772238496e-01 
4.12 -6.540679966e-01 
4.14 -6.315782788e-01 
4.16 -6.097387776e-01 
4.18 -5.885334930e-01 
4.20 -5.679464231e-01 
4.22 -5.479616271e-01 
4.24 -5.285632757e-01 
4.26 -5.097356900e-01 
4.28 -4.914633728e-01 
4.30 -4.737310332e-01 
4.32 -4.565415911e-01 
4.34 -4.399921462e-01 
4.36 -4.239088009e-01 
4.38 -4.082818947e-01 
4.40 -3.931014497e-01 
4.42 -3.783572361e-01 
4.44 -3.640396341e-01 
4.46 -3.501382148e-01 
4.48 -3.366414105e-01 
4.50 -3.235387275e-01 
4.52 -3.108197697e-01 
4.54 -2.984742935e-01 
4.56 -2.864922584e-01 
4.58 -2.748638722e-01 
4.60 -2.635796296e-01 
4.62 -2.526300539e-01 
4.64 -2.420038465e-01 
4.66 -2.316956580e-01 
4.68 -2.216973756e-01 
4.70 -2.120012840e-01 
4.72 -2.026000699e-01 
4.74 -1.934868207e-01 
4.76 -1.846550188e-01 
4.78 -1.760985299e-01 
4.80 -1.678115884e-01 
4.82 -1.597887725e-01 
4.84 -1.520248066e-01 
4.86 -1.445151159e-01 
4.88 -1.372551817e-01 
4.90 -1.302407277e-01 
4.92 -1.234676884e-01 
4.94 -1.169321770e-01 
4.96 -1.106304516e-01 
4.98 -1.045588831e-01 
5.00 -9.871392232e-02 
5.02 -9.309206917e-02 
5.04 -8.768984248e-02 
5.06 -8.250375203e-02 
5.08 -7.753027260e-02 
5.10 -7.276582047e-02 
5.12 -6.820673250e-02 
5.14 -6.384924813e-02 
5.16 -5.968949427e-02 
5.18 -5.572347330e-02 
5.20 -5.194705412e-02 
5.22 -4.835596631e-02 
5.24 -4.494579728e-02 
5.26 -4.171199234e-02 
5.28 -3.864985760e-02 
5.30 -3.575456542e-02 
5.32 -3.302116232e-02 
5.34 -3.044457903e-02 
5.36 -2.801964258e-02 
5.38 -2.574108997e-02 
5.40 -2.360358328e-02 
5.42 -2.160172602e-02 
5.44 -1.974433868e-02 
5.46 -1.808494308e-02 
5.48 -1.653275249e-02 
5.50 -1.508363516e-02 
5.52 -1.373336632e-02 
5.54 -1.247765325e-02 
5.56 -1.131216172e-02 
5.58 -1.023254116e-02 
5.60 -9.234448321e-03 
5.62 -8.313569367e-03 
5.64 -7.465640214e-03 
5.66 -6.686465153e-03 
5.68 -5.971933638e-03 
5.70 -5.318035248e-03 
5.72 -4.720872803e-03 
5.74 -4.176673677e-03 
5.76 -3.681799323e-03 
5.78 -3.232753083e-03 
5.80 -2.826186346e-03 
5.82 -2.458903131e-03 
5.84 -2.127863202e-03 
5.86 -1.830183796e-03 
5.88 -1.563140091e-03 
5.90 -1.324164512e-03 
5.92 -1.110844993e-03 
5.94 -9.209223100e-04 
5.96 -7.522865990e-04 
5.98 -6.029731694e-04 
6.00 -4.711577210e-04