# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2022--Guo-J-Ward-L-Babuji-Y-et-al--Li-K-Cl
# implementation = 2022--Guo-J--Li-K-Cl--LAMMPS--ipr1
# composition = 1923
# 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 2022-12-14

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  1.209109531e+02 
1.04  1.131248497e+02 
1.06  1.060138651e+02 
1.08  9.950949503e+01 
1.10  9.343787374e+01 
1.12  8.774134675e+01 
1.14  8.245129830e+01 
1.16  7.748144021e+01 
1.18  7.277297984e+01 
1.20  6.826256452e+01 
1.22  6.389426130e+01 
1.24  5.971489983e+01 
1.26  5.578621452e+01 
1.28  5.215522463e+01 
1.30  4.879385576e+01 
1.32  4.568774125e+01 
1.34  4.280220278e+01 
1.36  4.005252119e+01 
1.38  3.741899843e+01 
1.40  3.496627638e+01 
1.42  3.269242751e+01 
1.44  3.062783534e+01 
1.46  2.877637201e+01 
1.48  2.709409184e+01 
1.50  2.554827566e+01 
1.52  2.410833852e+01 
1.54  2.274947634e+01 
1.56  2.146171911e+01 
1.58  2.024831894e+01 
1.60  1.907561718e+01 
1.62  1.792610987e+01 
1.64  1.680428190e+01 
1.66  1.571843653e+01 
1.68  1.465529093e+01 
1.70  1.360432452e+01 
1.72  1.257092059e+01 
1.74  1.158571818e+01 
1.76  1.063306447e+01 
1.78  9.705242238e+00 
1.80  8.798838594e+00 
1.82  7.916585382e+00 
1.84  7.073385669e+00 
1.86  6.275140418e+00 
1.88  5.524521399e+00 
1.90  4.823409638e+00 
1.92  4.175640938e+00 
1.94  3.589364335e+00 
1.96  3.064069523e+00 
1.98  2.599240077e+00 
2.00  2.176189789e+00 
2.02  1.780115322e+00 
2.04  1.401622116e+00 
2.06  1.034151191e+00 
2.08  6.745928508e-01 
2.10  3.243184306e-01 
2.12 -8.697397401e-04 
2.14 -2.996554454e-01 
2.16 -5.747216897e-01 
2.18 -8.311941351e-01 
2.20 -1.074772437e+00 
2.22 -1.310639744e+00 
2.24 -1.542709382e+00 
2.26 -1.772956752e+00 
2.28 -2.000982014e+00 
2.30 -2.222944614e+00 
2.32 -2.424031755e+00 
2.34 -2.599179089e+00 
2.36 -2.747278579e+00 
2.38 -2.875578343e+00 
2.40 -2.987906699e+00 
2.42 -3.086467572e+00 
2.44 -3.173601584e+00 
2.46 -3.251672644e+00 
2.48 -3.321764859e+00 
2.50 -3.384705125e+00 
2.52 -3.442117645e+00 
2.54 -3.495193165e+00 
2.56 -3.544693713e+00 
2.58 -3.589720154e+00 
2.60 -3.627566142e+00 
2.62 -3.659305621e+00 
2.64 -3.686342378e+00 
2.66 -3.710025414e+00 
2.68 -3.731564176e+00 
2.70 -3.751975733e+00 
2.72 -3.772087352e+00 
2.74 -3.792593864e+00 
2.76 -3.814138697e+00 
2.78 -3.837374877e+00 
2.80 -3.862977189e+00 
2.82 -3.891604281e+00 
2.84 -3.923829580e+00 
2.86 -3.960065777e+00 
2.88 -4.000505115e+00 
2.90 -4.045092953e+00 
2.92 -4.093544527e+00 
2.94 -4.145400969e+00 
2.96 -4.200102363e+00 
2.98 -4.255634706e+00 
3.00 -4.310333786e+00 
3.02 -4.363883990e+00 
3.04 -4.413798392e+00 
3.06 -4.458994998e+00 
3.08 -4.498771448e+00 
3.10 -4.532575088e+00 
3.12 -4.563391795e+00 
3.14 -4.592003509e+00 
3.16 -4.618222563e+00 
3.18 -4.641700769e+00 
3.20 -4.662003124e+00 
3.22 -4.678694580e+00 
3.24 -4.691420254e+00 
3.26 -4.699966468e+00 
3.28 -4.704298619e+00 
3.30 -4.704577715e+00 
3.32 -4.701159291e+00 
3.34 -4.694577836e+00 
3.36 -4.685518748e+00 
3.38 -4.674779923e+00 
3.40 -4.663226560e+00 
3.42 -4.651744981e+00 
3.44 -4.641202492e+00 
3.46 -4.632418897e+00 
3.48 -4.626150961e+00 
3.50 -4.623085475e+00 
3.52 -4.623832802e+00 
3.54 -4.628913143e+00 
3.56 -4.638732320e+00 
3.58 -4.653550074e+00 
3.60 -4.673448760e+00 
3.62 -4.698312192e+00 
3.64 -4.726925327e+00 
3.66 -4.756754284e+00 
3.68 -4.787609713e+00 
3.70 -4.819403793e+00 
3.72 -4.852034115e+00 
3.74 -4.885386438e+00 
3.76 -4.919337811e+00 
3.78 -4.953759910e+00 
3.80 -4.988522466e+00 
3.82 -5.023496605e+00 
3.84 -5.058557973e+00 
3.86 -5.093589493e+00 
3.88 -5.128483652e+00 
3.90 -5.163144183e+00 
3.92 -5.197487068e+00 
3.94 -5.231440786e+00 
3.96 -5.264945792e+00 
3.98 -5.297953275e+00 
4.00 -5.330423318e+00 
4.02 -5.362322675e+00 
4.04 -5.393622436e+00 
4.06 -5.424295887e+00 
4.08 -5.454316838e+00 
4.10 -5.483658650e+00 
4.12 -5.512294041e+00 
4.14 -5.540195661e+00 
4.16 -5.567337258e+00 
4.18 -5.593695219e+00 
4.20 -5.619250164e+00 
4.22 -5.643988326e+00 
4.24 -5.667902483e+00 
4.26 -5.690992281e+00 
4.28 -5.712984543e+00 
4.30 -5.733575006e+00 
4.32 -5.752807427e+00 
4.34 -5.770738491e+00 
4.36 -5.787432628e+00 
4.38 -5.802955454e+00 
4.40 -5.817366319e+00 
4.42 -5.830711321e+00 
4.44 -5.843018169e+00 
4.46 -5.854293844e+00 
4.48 -5.864525380e+00 
4.50 -5.873683310e+00 
4.52 -5.881726817e+00 
4.54 -5.888609356e+00 
4.56 -5.894283646e+00 
4.58 -5.898705286e+00 
4.60 -5.901834715e+00 
4.62 -5.903637688e+00 
4.64 -5.904084734e+00 
4.66 -5.903150220e+00 
4.68 -5.900811649e+00 
4.70 -5.897049690e+00 
4.72 -5.891849275e+00 
4.74 -5.885201869e+00 
4.76 -5.877108780e+00 
4.78 -5.867585213e+00 
4.80 -5.856664519e+00 
4.82 -5.844402060e+00 
4.84 -5.830877999e+00 
4.86 -5.816198445e+00 
4.88 -5.800494490e+00 
4.90 -5.783918962e+00 
4.92 -5.766640968e+00 
4.94 -5.748788185e+00 
4.96 -5.730438510e+00 
4.98 -5.711686322e+00 
5.00 -5.692611879e+00 
5.02 -5.673278221e+00 
5.04 -5.653730062e+00 
5.06 -5.633995105e+00 
5.08 -5.614087871e+00 
5.10 -5.594015648e+00 
5.12 -5.573785805e+00 
5.14 -5.553112315e+00 
5.16 -5.531071674e+00 
5.18 -5.507773671e+00 
5.20 -5.483450366e+00 
5.22 -5.458360707e+00 
5.24 -5.432778146e+00 
5.26 -5.406977734e+00 
5.28 -5.381223967e+00 
5.30 -5.355760443e+00 
5.32 -5.330802071e+00 
5.34 -5.306530190e+00 
5.36 -5.283090571e+00 
5.38 -5.260594017e+00 
5.40 -5.239119049e+00 
5.42 -5.218716094e+00 
5.44 -5.199412565e+00 
5.46 -5.181218276e+00 
5.48 -5.164130701e+00 
5.50 -5.148139687e+00 
5.52 -5.133231335e+00 
5.54 -5.119390838e+00 
5.56 -5.106604217e+00 
5.58 -5.094858944e+00 
5.60 -5.084143579e+00 
5.62 -5.074446597e+00 
5.64 -5.065754686e+00 
5.66 -5.058050769e+00 
5.68 -5.051312054e+00 
5.70 -5.045508338e+00 
5.72 -5.040600742e+00 
5.74 -5.036540968e+00 
5.76 -5.033271096e+00 
5.78 -5.030723842e+00 
5.80 -5.028823191e+00 
5.82 -5.027485270e+00 
5.84 -5.026619313e+00 
5.86 -5.026128639e+00 
5.88 -5.025911534e+00 
5.90 -5.025862004e+00 
5.92 -5.025870402e+00 
5.94 -5.025870402e+00 
5.96 -5.025870402e+00 
5.98 -5.025870402e+00 
6.00 -5.025870402e+00