# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2022--Mendelev-M-I--Ni-Al
# implementation = 2022--Mendelev-M-I--Ni-Al--LAMMPS--ipr1
# composition = Al2Ni
# 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 2022-10-04

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  6.489033920e+05 
1.00  5.979906848e+05 
1.02  5.510089865e+05 
1.04  5.075864946e+05 
1.06  4.673936167e+05 
1.08  4.301371137e+05 
1.10  3.955550716e+05 
1.12  3.634135350e+05 
1.14  3.335026505e+05 
1.16  3.056335211e+05 
1.18  2.796357803e+05 
1.20  2.553556102e+05 
1.22  2.326541738e+05 
1.24  2.114059768e+05 
1.26  1.914974922e+05 
1.28  1.728256777e+05 
1.30  1.552967321e+05 
1.32  1.388252296e+05 
1.34  1.233333821e+05 
1.36  1.087503088e+05 
1.38  9.501128523e+04 
1.40  8.205703558e+04 
1.42  6.983318294e+04 
1.44  5.845569553e+04 
1.46  4.802128745e+04 
1.48  3.839183559e+04 
1.50  2.945737670e+04 
1.52  2.181928630e+04 
1.54  1.612369404e+04 
1.56  1.188759312e+04 
1.58  8.741305223e+03 
1.60  6.408365352e+03 
1.62  4.681973059e+03 
1.64  3.407440754e+03 
1.66  2.469081517e+03 
1.68  1.780407842e+03 
1.70  1.276804787e+03 
1.72  9.100506683e+02 
1.74  6.442071612e+02 
1.76  4.525322574e+02 
1.78  3.151654855e+02 
1.80  2.173916844e+02 
1.82  1.483366601e+02 
1.84  9.998873141e+01 
1.86  6.646572823e+01 
1.88  4.346655451e+01 
1.90  2.786355291e+01 
1.92  1.740662882e+01 
1.94  1.049424752e+01 
1.96  5.976178992e+00 
1.98  3.046903012e+00 
2.00  1.151472617e+00 
2.02 -8.541557882e-02 
2.04 -9.108500285e-01 
2.06 -1.482288661e+00 
2.08 -1.897727310e+00 
2.10 -2.216686158e+00 
2.12 -2.474616284e+00 
2.14 -2.692598176e+00 
2.16 -2.883220456e+00 
2.18 -3.053285515e+00 
2.20 -3.205575063e+00 
2.22 -3.342318368e+00 
2.24 -3.465488872e+00 
2.26 -3.576695390e+00 
2.28 -3.677534867e+00 
2.30 -3.769248573e+00 
2.32 -3.852447044e+00 
2.34 -3.926947121e+00 
2.36 -3.991726360e+00 
2.38 -4.044777917e+00 
2.40 -4.084066116e+00 
2.42 -4.109372418e+00 
2.44 -4.121673072e+00 
2.46 -4.121679591e+00 
2.48 -4.109930150e+00 
2.50 -4.087138970e+00 
2.52 -4.054449211e+00 
2.54 -4.013672251e+00 
2.56 -3.967229500e+00 
2.58 -3.917764114e+00 
2.60 -3.867424360e+00 
2.62 -3.817622967e+00 
2.64 -3.769386381e+00 
2.66 -3.723165164e+00 
2.68 -3.678587177e+00 
2.70 -3.634730457e+00 
2.72 -3.590816651e+00 
2.74 -3.546339863e+00 
2.76 -3.501035888e+00 
2.78 -3.454776123e+00 
2.80 -3.407470584e+00 
2.82 -3.359167712e+00 
2.84 -3.310057731e+00 
2.86 -3.260412096e+00 
2.88 -3.210526627e+00 
2.90 -3.160671103e+00 
2.92 -3.111061521e+00 
2.94 -3.061861947e+00 
2.96 -3.013220645e+00 
2.98 -2.965322572e+00 
3.00 -2.918472424e+00 
3.02 -2.873210801e+00 
3.04 -2.830129075e+00 
3.06 -2.789582998e+00 
3.08 -2.751673356e+00 
3.10 -2.716267859e+00 
3.12 -2.683034545e+00 
3.14 -2.651484945e+00 
3.16 -2.621024824e+00 
3.18 -2.591009878e+00 
3.20 -2.560803339e+00 
3.22 -2.529832014e+00 
3.24 -2.497636851e+00 
3.26 -2.463913761e+00 
3.28 -2.428545627e+00 
3.30 -2.391630060e+00 
3.32 -2.353477820e+00 
3.34 -2.314578236e+00 
3.36 -2.275529443e+00 
3.38 -2.236926761e+00 
3.40 -2.199202286e+00 
3.42 -2.162477830e+00 
3.44 -2.126723777e+00 
3.46 -2.091901741e+00 
3.48 -2.057970031e+00 
3.50 -2.024882881e+00 
3.52 -1.992589605e+00 
3.54 -1.961033854e+00 
3.56 -1.930153142e+00 
3.58 -1.899878850e+00 
3.60 -1.870136934e+00 
3.62 -1.840849585e+00 
3.64 -1.811938094e+00 
3.66 -1.783327232e+00 
3.68 -1.754951431e+00 
3.70 -1.726760705e+00 
3.72 -1.698716497e+00 
3.74 -1.670787828e+00 
3.76 -1.642951582e+00 
3.78 -1.615192791e+00 
3.80 -1.587504703e+00 
3.82 -1.559888606e+00 
3.84 -1.532353360e+00 
3.86 -1.504914592e+00 
3.88 -1.477593526e+00 
3.90 -1.450415375e+00 
3.92 -1.423407269e+00 
3.94 -1.396595646e+00 
3.96 -1.370003057e+00 
3.98 -1.343644332e+00 
4.00 -1.317522725e+00 
4.02 -1.291633591e+00 
4.04 -1.265971370e+00 
4.06 -1.240530761e+00 
4.08 -1.215307330e+00 
4.10 -1.190298254e+00 
4.12 -1.165503244e+00 
4.14 -1.140925646e+00 
4.16 -1.116573728e+00 
4.18 -1.092461037e+00 
4.20 -1.068599742e+00 
4.22 -1.044995813e+00 
4.24 -1.021649463e+00 
4.26 -9.985558902e-01 
4.28 -9.757060019e-01 
4.30 -9.530871144e-01 
4.32 -9.306836381e-01 
4.34 -9.084777433e-01 
4.36 -8.864500072e-01 
4.38 -8.645800445e-01 
4.40 -8.428471202e-01 
4.42 -8.212307402e-01 
4.44 -7.997112151e-01 
4.46 -7.782702268e-01 
4.48 -7.568913217e-01 
4.50 -7.355604447e-01 
4.52 -7.142663610e-01 
4.54 -6.930011141e-01 
4.56 -6.717604253e-01 
4.58 -6.505440203e-01 
4.60 -6.293559490e-01 
4.62 -6.082048339e-01 
4.64 -5.871040713e-01 
4.66 -5.660719690e-01 
4.68 -5.451318147e-01 
4.70 -5.243118801e-01 
4.72 -5.036453002e-01 
4.74 -4.831698726e-01 
4.76 -4.629278052e-01 
4.78 -4.429655998e-01 
4.80 -4.233330219e-01 
4.82 -4.040826915e-01 
4.84 -3.852701972e-01 
4.86 -3.669510345e-01 
4.88 -3.491829137e-01 
4.90 -3.320201341e-01 
4.92 -3.155182052e-01 
4.94 -2.997238091e-01 
4.96 -2.846847527e-01 
4.98 -2.704338198e-01 
5.00 -2.569981927e-01 
5.02 -2.444001013e-01 
5.04 -2.326245509e-01 
5.06 -2.216604240e-01 
5.08 -2.114851642e-01 
5.10 -2.019691464e-01 
5.12 -1.929214056e-01 
5.14 -1.844406282e-01 
5.16 -1.765812996e-01 
5.18 -1.693435147e-01 
5.20 -1.627957674e-01 
5.22 -1.566873479e-01 
5.24 -1.505232063e-01 
5.26 -1.438915790e-01 
5.28 -1.366766369e-01 
5.30 -1.288895134e-01 
5.32 -1.205787113e-01 
5.34 -1.118444459e-01 
5.36 -1.027154338e-01 
5.38 -9.317380227e-02 
5.40 -8.325878315e-02 
5.42 -7.303304045e-02 
5.44 -6.257608059e-02 
5.46 -5.197861004e-02 
5.48 -4.132427270e-02 
5.50 -3.073956119e-02 
5.52 -2.042838777e-02 
5.54 -1.054404463e-02 
5.56 -1.196469857e-03 
5.58  7.537061001e-03 
5.60  1.560387807e-02 
5.62  2.296996997e-02 
5.64  2.961571096e-02 
5.66  3.553265685e-02 
5.68  4.072071063e-02 
5.70  4.518621054e-02 
5.72  4.894072295e-02 
5.74  5.200024827e-02 
5.76  5.438471883e-02 
5.78  5.611769381e-02 
5.80  5.722617658e-02 
5.82  5.774049635e-02 
5.84  5.769421016e-02 
5.86  5.712399243e-02 
5.88  5.606948877e-02 
5.90  5.457311807e-02 
5.92  5.267981318e-02 
5.94  5.043669542e-02 
5.96  4.789268201e-02 
5.98  4.509802875e-02 
6.00  4.210381287e-02