# 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 = IdNa2
# 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  1.325081223e+04 
1.22  1.128788897e+04 
1.24  9.640686486e+03 
1.26  8.254370107e+03 
1.28  7.084328400e+03 
1.30  6.094426193e+03 
1.32  5.254576513e+03 
1.34  4.540514450e+03 
1.36  3.931668898e+03 
1.38  3.411407396e+03 
1.40  2.965780025e+03 
1.42  2.583246904e+03 
1.44  2.254175482e+03 
1.46  1.970470691e+03 
1.48  1.725461444e+03 
1.50  1.513371480e+03 
1.52  1.329419763e+03 
1.54  1.169653336e+03 
1.56  1.030571183e+03 
1.58  9.092885466e+02 
1.60  8.033708500e+02 
1.62  7.106970087e+02 
1.64  6.294767425e+02 
1.66  5.581857255e+02 
1.68  4.955538259e+02 
1.70  4.404102718e+02 
1.72  3.917914854e+02 
1.74  3.488690001e+02 
1.76  3.109362184e+02 
1.78  2.773613002e+02 
1.80  2.476020780e+02 
1.82  2.211931696e+02 
1.84  1.977300176e+02 
1.86  1.768638055e+02 
1.88  1.582837674e+02 
1.90  1.417224331e+02 
1.92  1.269450159e+02 
1.94  1.137465793e+02 
1.96  1.019460648e+02 
1.98  9.139252729e+01 
2.00  8.194404361e+01 
2.02  7.347383322e+01 
2.04  6.587539075e+01 
2.06  5.905394096e+01 
2.08  5.292553809e+01 
2.10  4.741597734e+01 
2.12  4.245982146e+01 
2.14  3.800104886e+01 
2.16  3.398426215e+01 
2.18  3.036331284e+01 
2.20  2.709724679e+01 
2.22  2.414936001e+01 
2.24  2.148622051e+01 
2.26  1.907976444e+01 
2.28  1.690465393e+01 
2.30  1.493729954e+01 
2.32  1.315796654e+01 
2.34  1.154783766e+01 
2.36  1.009013025e+01 
2.38  8.770128160e+00 
2.40  7.574673911e+00 
2.42  6.491989088e+00 
2.44  5.511514516e+00 
2.46  4.623768725e+00 
2.48  3.820230223e+00 
2.50  3.093267924e+00 
2.52  2.435437288e+00 
2.54  1.840980500e+00 
2.56  1.304350564e+00 
2.58  8.206851909e-01 
2.60  3.844559718e-01 
2.62 -8.413385250e-03 
2.64 -3.615190284e-01 
2.66 -6.784427041e-01 
2.68 -9.623341780e-01 
2.70 -1.216120236e+00 
2.72 -1.442460110e+00 
2.74 -1.643770658e+00 
2.76 -1.822249038e+00 
2.78 -1.979893228e+00 
2.80 -2.118534876e+00 
2.82 -2.239903892e+00 
2.84 -2.345387010e+00 
2.86 -2.436362479e+00 
2.88 -2.514031417e+00 
2.90 -2.579596807e+00 
2.92 -2.634097614e+00 
2.94 -2.679531969e+00 
2.96 -2.715683715e+00 
2.98 -2.743234937e+00 
3.00 -2.762955754e+00 
3.02 -2.775552854e+00 
3.04 -2.781675417e+00 
3.06 -2.781920302e+00 
3.08 -2.776836575e+00 
3.10 -2.766929430e+00 
3.12 -2.752663618e+00 
3.14 -2.734466426e+00 
3.16 -2.712730314e+00 
3.18 -2.687862533e+00 
3.20 -2.660189716e+00 
3.22 -2.629940340e+00 
3.24 -2.597460621e+00 
3.26 -2.562989141e+00 
3.28 -2.526681494e+00 
3.30 -2.488751313e+00 
3.32 -2.449390776e+00 
3.34 -2.408772518e+00 
3.36 -2.367051503e+00 
3.38 -2.324366846e+00 
3.40 -2.280843581e+00 
3.42 -2.236594369e+00 
3.44 -2.191721131e+00 
3.46 -2.146316800e+00 
3.48 -2.100494778e+00 
3.50 -2.054316183e+00 
3.52 -2.007835706e+00 
3.54 -1.961125206e+00 
3.56 -1.914251962e+00 
3.58 -1.867280087e+00 
3.60 -1.820271952e+00 
3.62 -1.773288670e+00 
3.64 -1.726390430e+00 
3.66 -1.679636689e+00 
3.68 -1.633086233e+00 
3.70 -1.586797114e+00 
3.72 -1.540826037e+00 
3.74 -1.495229317e+00 
3.76 -1.450061760e+00 
3.78 -1.405376074e+00 
3.80 -1.361222751e+00 
3.82 -1.317649685e+00 
3.84 -1.274701783e+00 
3.86 -1.232420621e+00 
3.88 -1.190844136e+00 
3.90 -1.150006385e+00 
3.92 -1.109937360e+00 
3.94 -1.070662883e+00 
3.96 -1.032234759e+00 
3.98 -9.947641251e-01 
4.00 -9.581097572e-01 
4.02 -9.222860506e-01 
4.04 -8.873031221e-01 
4.06 -8.531671655e-01 
4.08 -8.198808405e-01 
4.10 -7.874436829e-01 
4.12 -7.558525264e-01 
4.14 -7.251019225e-01 
4.16 -6.951845494e-01 
4.18 -6.660916010e-01 
4.20 -6.378131478e-01 
4.22 -6.103384627e-01 
4.24 -5.836563097e-01 
4.26 -5.577551892e-01 
4.28 -5.326235412e-01 
4.30 -5.082499053e-01 
4.32 -4.846230393e-01 
4.34 -4.617319985e-01 
4.36 -4.395661794e-01 
4.38 -4.181153321e-01 
4.40 -3.973695455e-01 
4.42 -3.773192100e-01 
4.44 -3.579549628e-01 
4.46 -3.392676201e-01 
4.48 -3.212481013e-01 
4.50 -3.040029543e-01 
4.52 -2.874232586e-01 
4.54 -2.714549389e-01 
4.56 -2.560932472e-01 
4.58 -2.413394762e-01 
4.60 -2.271801395e-01 
4.62 -2.136077015e-01 
4.64 -2.006139056e-01 
4.66 -1.881896013e-01 
4.68 -1.763247910e-01 
4.70 -1.650086792e-01 
4.72 -1.542297262e-01 
4.74 -1.439757043e-01 
4.76 -1.342337569e-01 
4.78 -1.249904589e-01 
4.80 -1.162318798e-01 
4.82 -1.079436465e-01 
4.84 -1.001110079e-01 
4.86 -9.271889840e-02 
4.88 -8.575200239e-02 
4.90 -7.919481645e-02 
4.92 -7.303171121e-02 
4.94 -6.724699115e-02 
4.96 -6.182478621e-02 
4.98 -5.674889232e-02 
5.00 -5.200457019e-02 
5.02 -4.757640385e-02 
5.04 -4.344917427e-02 
5.06 -3.960790251e-02 
5.08 -3.603788954e-02 
5.10 -3.272475236e-02 
5.12 -2.965445647e-02 
5.14 -2.681334472e-02 
5.16 -2.418816244e-02 
5.18 -2.176607895e-02 
5.20 -1.953470551e-02 
5.22 -1.748210984e-02 
5.24 -1.559682727e-02 
5.26 -1.386786875e-02 
5.28 -1.228472578e-02 
5.30 -1.083737257e-02 
5.32 -9.516265495e-03 
5.34 -8.312340118e-03 
5.36 -7.217005997e-03 
5.38 -6.222139431e-03 
5.40 -5.320074407e-03 
5.42 -4.503591930e-03 
5.44 -3.765907964e-03 
5.46 -3.100660161e-03 
5.48 -2.501893603e-03 
5.50 -1.964045705e-03 
5.52 -1.481930495e-03 
5.54 -1.050722404e-03 
5.56 -6.659397388e-04 
5.58 -3.234279717e-04 
5.60 -7.810044949e-05 
5.62 -7.265181815e-05 
5.64 -6.756715881e-05 
5.66 -6.278312560e-05 
5.68 -5.828562566e-05 
5.70 -5.406099169e-05 
5.72 -5.009598352e-05 
5.74 -4.637778856e-05 
5.76 -4.289402141e-05 
5.78 -3.963272242e-05 
5.80 -3.658235545e-05 
5.82 -3.373180474e-05 
5.84 -3.107037098e-05 
5.86 -2.858776668e-05 
5.88 -2.627411076e-05 
5.90 -2.411992262e-05 
5.92 -2.211611544e-05 
5.94 -2.025398908e-05 
5.96 -1.852522241e-05 
5.98 -1.692186517e-05 
6.00 -1.543632947e-05