# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2021--Oliveira-D-S-Cotta-M-A--Ga-As-Au
# implementation = 2021--Oliveira-D-S--Ga-As-Au--LAMMPS--ipr1
# composition = AuGa2
# 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 2025-07-01

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  4.396205457e+02 
0.94  4.046116422e+02 
0.96  3.725717798e+02 
0.98  3.432561355e+02 
1.00  3.163540496e+02 
1.02  2.920534279e+02 
1.04  2.695424536e+02 
1.06  2.491089059e+02 
1.08  2.303310920e+02 
1.10  2.131766313e+02 
1.12  1.973709655e+02 
1.14  1.827511580e+02 
1.16  1.693807655e+02 
1.18  1.568821694e+02 
1.20  1.452695773e+02 
1.22  1.345064233e+02 
1.24  1.245180459e+02 
1.26  1.151681011e+02 
1.28  1.065379714e+02 
1.30  9.849183393e+01 
1.32  9.099599909e+01 
1.34  8.400199892e+01 
1.36  7.760121571e+01 
1.38  7.143727340e+01 
1.40  6.574203499e+01 
1.42  6.029631443e+01 
1.44  5.518949519e+01 
1.46  5.050809892e+01 
1.48  4.603711304e+01 
1.50  4.186984678e+01 
1.52  3.798020054e+01 
1.54  3.434423435e+01 
1.56  3.095408624e+01 
1.58  2.779349716e+01 
1.60  2.490080439e+01 
1.62  2.216067312e+01 
1.64  1.961150413e+01 
1.66  1.729886843e+01 
1.68  1.511095724e+01 
1.70  1.309161868e+01 
1.72  1.123137432e+01 
1.74  9.520752985e+00 
1.76  8.055739867e+00 
1.78  6.627135323e+00 
1.80  5.329618694e+00 
1.82  4.155316249e+00 
1.84  3.122706726e+00 
1.86  2.171834937e+00 
1.88  1.321835390e+00 
1.90  5.640176442e-01 
1.92 -1.100715982e-01 
1.94 -7.084561741e-01 
1.96 -1.236671678e+00 
1.98 -1.699393541e+00 
2.00 -2.059074177e+00 
2.02 -2.381137804e+00 
2.04 -2.677647145e+00 
2.06 -2.928685043e+00 
2.08 -3.139056038e+00 
2.10 -3.313352836e+00 
2.12 -3.456160548e+00 
2.14 -3.516858616e+00 
2.16 -3.603527177e+00 
2.18 -3.666912363e+00 
2.20 -3.711400705e+00 
2.22 -3.741503708e+00 
2.24 -3.761167166e+00 
2.26 -3.772061250e+00 
2.28 -3.775283634e+00 
2.30 -3.771967553e+00 
2.32 -3.763110579e+00 
2.34 -3.748865668e+00 
2.36 -3.728520375e+00 
2.38 -3.702558056e+00 
2.40 -3.620401289e+00 
2.42 -3.583724482e+00 
2.44 -3.542115994e+00 
2.46 -3.496141203e+00 
2.48 -3.446380197e+00 
2.50 -3.393449700e+00 
2.52 -3.338036518e+00 
2.54 -3.280835363e+00 
2.56 -3.222540948e+00 
2.58 -3.163847983e+00 
2.60 -3.096731057e+00 
2.62 -3.055432488e+00 
2.64 -3.013026163e+00 
2.66 -2.970526352e+00 
2.68 -2.928158132e+00 
2.70 -2.885910810e+00 
2.72 -2.863717562e+00 
2.74 -2.855762786e+00 
2.76 -2.844045995e+00 
2.78 -2.828748572e+00 
2.80 -2.810370215e+00 
2.82 -2.789474058e+00 
2.84 -2.766554742e+00 
2.86 -2.741913588e+00 
2.88 -2.715732865e+00 
2.90 -2.688198339e+00 
2.92 -2.659478715e+00 
2.94 -2.629802547e+00 
2.96 -2.599464095e+00 
2.98 -2.568762617e+00 
3.00 -2.537977395e+00 
3.02 -2.507142204e+00 
3.04 -2.475983229e+00 
3.06 -2.444540279e+00 
3.08 -2.412844989e+00 
3.10 -2.380895158e+00 
3.12 -2.348878416e+00 
3.14 -2.263472773e+00 
3.16 -2.232509817e+00 
3.18 -2.202747728e+00 
3.20 -2.174458137e+00 
3.22 -2.147803575e+00 
3.24 -2.122862463e+00 
3.26 -2.099490734e+00 
3.28 -2.077392535e+00 
3.30 -2.056304539e+00 
3.32 -2.035994682e+00 
3.34 -2.016254549e+00 
3.36 -1.996884506e+00 
3.38 -1.977638069e+00 
3.40 -1.958260533e+00 
3.42 -1.938505648e+00 
3.44 -1.918177642e+00 
3.46 -1.897197647e+00 
3.48 -1.875512092e+00 
3.50 -1.853087742e+00 
3.52 -1.829946235e+00 
3.54 -1.806133440e+00 
3.56 -1.781710193e+00 
3.58 -1.756752613e+00 
3.60 -1.731352281e+00 
3.62 -1.705616286e+00 
3.64 -1.679667134e+00 
3.66 -1.653579443e+00 
3.68 -1.593264572e+00 
3.70 -1.564731837e+00 
3.72 -1.534610178e+00 
3.74 -1.502773235e+00 
3.76 -1.469190891e+00 
3.78 -1.433902896e+00 
3.80 -1.397007036e+00 
3.82 -1.358646913e+00 
3.84 -1.318999517e+00 
3.86 -1.278264592e+00 
3.88 -1.236655587e+00 
3.90 -1.194392045e+00 
3.92 -1.151680681e+00 
3.94 -1.108672860e+00 
3.96 -1.065487262e+00 
3.98 -1.022222161e+00 
4.00 -9.789682298e-01 
4.02 -9.357858805e-01 
4.04 -8.926993874e-01 
4.06 -8.496974846e-01 
4.08 -8.067340977e-01 
4.10 -7.637290930e-01 
4.12 -7.205904884e-01 
4.14 -6.773657794e-01 
4.16 -6.341781257e-01 
4.18 -5.911581670e-01 
4.20 -5.484436566e-01 
4.22 -5.061793124e-01 
4.24 -4.645165202e-01 
4.26 -4.236128921e-01 
4.28 -3.836316828e-01 
4.30 -3.447410701e-01 
4.32 -3.071133034e-01 
4.34 -2.709477361e-01 
4.36 -2.365338344e-01 
4.38 -2.041892512e-01 
4.40 -1.742467385e-01 
4.42 -1.482619388e-01 
4.44 -1.287639619e-01 
4.46 -1.160027095e-01 
4.48 -1.084317500e-01 
4.50 -1.037244321e-01 
4.52 -9.984557720e-02 
4.54 -9.553456586e-02 
4.56 -9.036976574e-02 
4.58 -8.464091408e-02 
4.60 -7.911640238e-02 
4.62 -7.477235665e-02 
4.64 -7.253360826e-02 
4.66 -7.306157172e-02 
4.68 -7.661068636e-02 
4.70 -8.296343917e-02 
4.72 -9.144406553e-02 
4.74 -1.010046251e-01 
4.76 -1.107152188e-01 
4.78 -1.202609903e-01 
4.80 -1.294003243e-01 
4.82 -1.378999465e-01 
4.84 -1.453172749e-01 
4.86 -1.506099840e-01 
4.88 -1.528249932e-01 
4.90 -1.511679405e-01 
4.92 -1.450396070e-01 
4.94 -1.340735625e-01 
4.96 -1.181642594e-01 
4.98 -9.748421322e-02 
5.00 -7.248916983e-02 
5.02 -4.391046750e-02 
5.04 -1.273415019e-02 
5.06  1.983322170e-02 
5.08  5.241168433e-02 
5.10  8.350705356e-02 
5.12  1.115808087e-01 
5.14  1.351287485e-01 
5.16  1.527659119e-01 
5.18  1.634957902e-01 
5.20  1.672340433e-01 
5.22  1.641972139e-01 
5.24  1.549940906e-01 
5.26  1.405027216e-01 
5.28  1.217262195e-01 
5.30  9.972853218e-02 
5.32  7.557657035e-02 
5.34  5.029050332e-02 
5.36  2.480338619e-02 
5.38 -6.929749044e-05 
5.40 -2.365010476e-02 
5.42 -4.541048302e-02 
5.44 -6.497274254e-02 
5.46 -8.210419860e-02 
5.48 -9.670476516e-02 
5.50 -1.087894494e-01 
5.52 -1.184672939e-01 
5.54 -1.259183430e-01 
5.56 -1.313701702e-01 
5.58 -1.350753974e-01 
5.60 -1.373097602e-01 
5.62 -1.383823890e-01 
5.64 -1.385587261e-01 
5.66 -1.380535431e-01 
5.68 -1.370399125e-01 
5.70 -1.356568962e-01 
5.72 -1.340160882e-01 
5.74 -1.322071397e-01 
5.76 -1.303023861e-01 
5.78 -1.283606846e-01 
5.80 -1.264305638e-01 
5.82 -1.245527760e-01 
5.84 -1.227623382e-01 
5.86 -1.210901348e-01 
5.88 -1.195641539e-01 
5.90 -1.182104157e-01 
5.92 -1.170536497e-01 
5.94 -1.161177683e-01 
5.96 -1.154261785e-01 
5.98 -1.150019699e-01 
6.00 -5.769430755e-02