# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au
# implementation = 2004--Zhou-X-W--Cu-Ag-Au--LAMMPS--ipr1
# composition = AuCu2
# 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  3.851872609e+02 
1.00  3.531147337e+02 
1.02  3.239117502e+02 
1.04  2.972904108e+02 
1.06  2.729869000e+02 
1.08  2.507680659e+02 
1.10  2.304343861e+02 
1.12  2.118123721e+02 
1.14  1.947463440e+02 
1.16  1.790947510e+02 
1.18  1.647303339e+02 
1.20  1.515379015e+02 
1.22  1.394115694e+02 
1.24  1.282541631e+02 
1.26  1.179792690e+02 
1.28  1.085115197e+02 
1.30  9.978467910e+01 
1.32  9.173940535e+01 
1.34  8.432146779e+01 
1.36  7.748015706e+01 
1.38  7.116795294e+01 
1.40  6.534070957e+01 
1.42  5.995808461e+01 
1.44  5.498351093e+01 
1.46  5.038382162e+01 
1.48  4.612916828e+01 
1.50  4.219285883e+01 
1.52  3.855083453e+01 
1.54  3.518083955e+01 
1.56  3.206175242e+01 
1.58  2.917335060e+01 
1.60  2.649674162e+01 
1.62  2.401491099e+01 
1.64  2.171292153e+01 
1.66  1.957802659e+01 
1.68  1.760688090e+01 
1.70  1.579045725e+01 
1.72  1.411709782e+01 
1.74  1.257591882e+01 
1.76  1.115700567e+01 
1.78  9.851358555e+00 
1.80  8.650763582e+00 
1.82  7.547532099e+00 
1.84  6.534366304e+00 
1.86  5.604318191e+00 
1.88  4.750858749e+00 
1.90  3.967895102e+00 
1.92  3.249776971e+00 
1.94  2.591315146e+00 
1.96  1.987760154e+00 
1.98  1.434833143e+00 
2.00  9.287071177e-01 
2.02  4.659840593e-01 
2.04  4.363378135e-02 
2.06 -3.410741368e-01 
2.08 -6.906635480e-01 
2.10 -1.007519312e+00 
2.12 -1.293931749e+00 
2.14 -1.552110950e+00 
2.16 -1.784202910e+00 
2.18 -1.992283830e+00 
2.20 -2.178338235e+00 
2.22 -2.344262035e+00 
2.24 -2.491821811e+00 
2.26 -2.622653576e+00 
2.28 -2.738229108e+00 
2.30 -2.839889900e+00 
2.32 -2.928847750e+00 
2.34 -3.006283460e+00 
2.36 -3.073262477e+00 
2.38 -3.130559875e+00 
2.40 -3.179241916e+00 
2.42 -3.220191402e+00 
2.44 -3.253319958e+00 
2.46 -3.278609744e+00 
2.48 -3.296118695e+00 
2.50 -3.305965105e+00 
2.52 -3.308322977e+00 
2.54 -3.303434098e+00 
2.56 -3.291644042e+00 
2.58 -3.273418633e+00 
2.60 -3.249272510e+00 
2.62 -3.219746225e+00 
2.64 -3.185406091e+00 
2.66 -3.146832445e+00 
2.68 -3.104611177e+00 
2.70 -3.059325272e+00 
2.72 -3.011543153e+00 
2.74 -2.961802297e+00 
2.76 -2.910586978e+00 
2.78 -2.858307497e+00 
2.80 -2.805282024e+00 
2.82 -2.751739652e+00 
2.84 -2.697823054e+00 
2.86 -2.643612796e+00 
2.88 -2.589147437e+00 
2.90 -2.534447813e+00 
2.92 -2.479534688e+00 
2.94 -2.424442700e+00 
2.96 -2.369229198e+00 
2.98 -2.313975861e+00 
3.00 -2.258790923e+00 
3.02 -2.203803766e+00 
3.04 -2.149159793e+00 
3.06 -2.095011160e+00 
3.08 -2.041506080e+00 
3.10 -1.988779096e+00 
3.12 -1.936941127e+00 
3.14 -1.886075587e+00 
3.16 -1.836234399e+00 
3.18 -1.787440019e+00 
3.20 -1.739690008e+00 
3.22 -1.692960904e+00 
3.24 -1.647216515e+00 
3.26 -1.602410941e+00 
3.28 -1.558497451e+00 
3.30 -1.515427861e+00 
3.32 -1.473159483e+00 
3.34 -1.431655026e+00 
3.36 -1.390883759e+00 
3.38 -1.350821227e+00 
3.40 -1.311456538e+00 
3.42 -1.272777353e+00 
3.44 -1.234777585e+00 
3.46 -1.197455361e+00 
3.48 -1.160809350e+00 
3.50 -1.124837759e+00 
3.52 -1.089538720e+00 
3.54 -1.054905405e+00 
3.56 -1.020930776e+00 
3.58 -9.876021695e-01 
3.60 -9.549064925e-01 
3.62 -9.228262605e-01 
3.64 -8.913448561e-01 
3.66 -8.604454046e-01 
3.68 -8.301136667e-01 
3.70 -8.003401878e-01 
3.72 -7.711225640e-01 
3.74 -7.424663583e-01 
3.76 -7.143885525e-01 
3.78 -6.869160073e-01 
3.80 -6.600876836e-01 
3.82 -6.339489171e-01 
3.84 -6.085535589e-01 
3.86 -5.839539458e-01 
3.88 -5.602024809e-01 
3.90 -5.373404634e-01 
3.92 -5.153993011e-01 
3.94 -4.943947373e-01 
3.96 -4.743252035e-01 
3.98 -4.551786238e-01 
4.00 -4.369230737e-01 
4.02 -4.195168646e-01 
4.04 -4.029095716e-01 
4.06 -3.870458736e-01 
4.08 -3.718657299e-01 
4.10 -3.573100096e-01 
4.12 -3.433201467e-01 
4.14 -3.298398176e-01 
4.16 -3.168161630e-01 
4.18 -3.042005710e-01 
4.20 -2.919494990e-01 
4.22 -2.800236153e-01 
4.24 -2.683901156e-01 
4.26 -2.570212992e-01 
4.28 -2.458954031e-01 
4.30 -2.349977936e-01 
4.32 -2.243203767e-01 
4.34 -2.138618525e-01 
4.36 -2.036273929e-01 
4.38 -1.936287693e-01 
4.40 -1.838829737e-01 
4.42 -1.744100912e-01 
4.44 -1.652335433e-01 
4.46 -1.563772767e-01 
4.48 -1.478630218e-01 
4.50 -1.397100181e-01 
4.52 -1.319325089e-01 
4.54 -1.245390589e-01 
4.56 -1.175310877e-01 
4.58 -1.109041584e-01 
4.60 -1.046474226e-01 
4.62 -9.874511109e-02 
4.64 -9.317645909e-02 
4.66 -8.791822315e-02 
4.68 -8.294520867e-02 
4.70 -7.823125037e-02 
4.72 -7.375041840e-02 
4.74 -6.947792637e-02 
4.76 -6.539096095e-02 
4.78 -6.146911997e-02 
4.80 -5.769478040e-02 
4.82 -5.405330020e-02 
4.84 -5.053311111e-02 
4.86 -4.712603786e-02 
4.88 -4.382733132e-02 
4.90 -4.063485972e-02 
4.92 -3.754955295e-02 
4.94 -3.457465812e-02 
4.96 -3.171524139e-02 
4.98 -2.897753688e-02 
5.00 -2.636857435e-02 
5.02 -2.389536645e-02 
5.04 -2.156410418e-02 
5.06 -1.937993953e-02 
5.08 -1.734646705e-02 
5.10 -1.546531497e-02 
5.12 -1.373589275e-02 
5.14 -1.215585497e-02 
5.16 -1.072123568e-02 
5.18 -9.426210284e-03 
5.20 -8.263705069e-03 
5.22 -7.225553414e-03 
5.24 -6.302883181e-03 
5.26 -5.486406243e-03 
5.28 -4.766807294e-03 
5.30 -4.134856869e-03 
5.32 -3.581632054e-03 
5.34 -3.098704700e-03 
5.36 -2.678188873e-03 
5.38 -2.312820943e-03 
5.40 -1.995946787e-03 
5.42 -1.721580339e-03 
5.44 -1.484344229e-03 
5.46 -1.279442520e-03 
5.48 -1.102631066e-03 
5.50 -9.501760768e-04 
5.52 -8.188046842e-04 
5.54 -7.056452690e-04 
5.56 -6.082094621e-04 
5.58 -5.243307081e-04 
5.60 -4.520890168e-04 
5.62 -3.899455305e-04 
5.64 -3.364526854e-04 
5.66 -2.904012280e-04 
5.68 -2.507481607e-04 
5.70 -2.165979781e-04 
5.72 -1.871790083e-04 
5.74 -1.618271681e-04 
5.76 -1.399731247e-04 
5.78 -1.211279529e-04 
5.80 -1.048700166e-04 
5.82 -9.083910722e-05 
5.84 -7.872429968e-05 
5.86 -6.825968186e-05 
5.88 -5.921590796e-05 
5.90 -5.139689622e-05 
5.92 -4.463334178e-05 
5.94 -3.877960379e-05 
5.96 -3.371123388e-05 
5.98 -2.932045412e-05 
6.00 -2.551477477e-05