# 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-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr
# implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1
# composition = Au2Fe
# 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 2024-04-11

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  3.797738590e+02 
1.16  3.492753057e+02 
1.18  3.212959495e+02 
1.20  2.956020354e+02 
1.22  2.719818512e+02 
1.24  2.502452528e+02 
1.26  2.302236916e+02 
1.28  2.117691735e+02 
1.30  1.947516964e+02 
1.32  1.790555923e+02 
1.34  1.645756711e+02 
1.36  1.512144515e+02 
1.38  1.388810613e+02 
1.40  1.274911063e+02 
1.42  1.169667968e+02 
1.44  1.072371291e+02 
1.46  9.823777053e+01 
1.48  8.991041546e+01 
1.50  8.220197027e+01 
1.52  7.506390517e+01 
1.54  6.845164841e+01 
1.56  6.232391794e+01 
1.58  5.664830962e+01 
1.60  5.142436777e+01 
1.62  4.662049192e+01 
1.64  4.220212419e+01 
1.66  3.813832776e+01 
1.68  3.440155825e+01 
1.70  3.096736961e+01 
1.72  2.781394870e+01 
1.74  2.492148668e+01 
1.76  2.227150613e+01 
1.78  1.984632196e+01 
1.80  1.762877037e+01 
1.82  1.560223343e+01 
1.84  1.375087292e+01 
1.86  1.205991570e+01 
1.88  1.051584520e+01 
1.90  9.106429893e+00 
1.92  7.820598576e+00 
1.94  6.648221875e+00 
1.96  5.579883723e+00 
1.98  4.606725143e+00 
2.00  3.720405969e+00 
2.02  2.913167731e+00 
2.04  2.177931978e+00 
2.06  1.508364909e+00 
2.08  8.988738854e-01 
2.10  3.445412004e-01 
2.12 -1.589783989e-01 
2.14 -6.155684577e-01 
2.16 -1.028749847e+00 
2.18 -1.401757443e+00 
2.20 -1.737591708e+00 
2.22 -2.039048487e+00 
2.24 -2.308734070e+00 
2.26 -2.549073216e+00 
2.28 -2.762315913e+00 
2.30 -2.950545751e+00 
2.32 -3.115690639e+00 
2.34 -3.259535520e+00 
2.36 -3.383736465e+00 
2.38 -3.489835481e+00 
2.40 -3.579275385e+00 
2.42 -3.653474271e+00 
2.44 -3.713930454e+00 
2.46 -3.761585989e+00 
2.48 -3.797345590e+00 
2.50 -3.822145887e+00 
2.52 -3.836940168e+00 
2.54 -3.842681413e+00 
2.56 -3.840304086e+00 
2.58 -3.830683092e+00 
2.60 -3.814627623e+00 
2.62 -3.792892898e+00 
2.64 -3.766165335e+00 
2.66 -3.735050464e+00 
2.68 -3.700066638e+00 
2.70 -3.661645718e+00 
2.72 -3.620118284e+00 
2.74 -3.575620851e+00 
2.76 -3.528224499e+00 
2.78 -3.477999060e+00 
2.80 -3.425014065e+00 
2.82 -3.369340230e+00 
2.84 -3.311051787e+00 
2.86 -3.250229670e+00 
2.88 -3.186965443e+00 
2.90 -3.121365795e+00 
2.92 -3.053557334e+00 
2.94 -2.983691357e+00 
2.96 -2.911948128e+00 
2.98 -2.838539963e+00 
3.00 -2.763712152e+00 
3.02 -2.687740591e+00 
3.04 -2.610925295e+00 
3.06 -2.533579716e+00 
3.08 -2.456017072e+00 
3.10 -2.378536113e+00 
3.12 -2.301409387e+00 
3.14 -2.224876571e+00 
3.16 -2.149144060e+00 
3.18 -2.074390146e+00 
3.20 -2.000773666e+00 
3.22 -1.928443351e+00 
3.24 -1.857545350e+00 
3.26 -1.788227258e+00 
3.28 -1.720638056e+00 
3.30 -1.654924347e+00 
3.32 -1.591224008e+00 
3.34 -1.529658700e+00 
3.36 -1.470326743e+00 
3.38 -1.413297557e+00 
3.40 -1.358608452e+00 
3.42 -1.306264039e+00 
3.44 -1.256238069e+00 
3.46 -1.208477189e+00 
3.48 -1.162905932e+00 
3.50 -1.119432245e+00 
3.52 -1.077952962e+00 
3.54 -1.038358768e+00 
3.56 -1.000538413e+00 
3.58 -9.643820272e-01 
3.60 -9.297835778e-01 
3.62 -8.966425216e-01 
3.64 -8.648647911e-01 
3.66 -8.343632467e-01 
3.68 -8.050577274e-01 
3.70 -7.768748178e-01 
3.72 -7.497474275e-01 
3.74 -7.236142596e-01 
3.76 -6.984192262e-01 
3.78 -6.741108498e-01 
3.80 -6.506416815e-01 
3.82 -6.279677525e-01 
3.84 -6.060480703e-01 
3.86 -5.848441672e-01 
3.88 -5.643197034e-01 
3.90 -5.444401271e-01 
3.92 -5.251723929e-01 
3.94 -5.064847445e-01 
3.96 -4.883465525e-01 
3.98 -4.707282292e-01 
4.00 -4.536012122e-01 
4.02 -4.369380288e-01 
4.04 -4.207124476e-01 
4.06 -4.048997227e-01 
4.08 -3.894769338e-01 
4.10 -3.744234180e-01 
4.12 -3.597212894e-01 
4.14 -3.453560016e-01 
4.16 -3.313169427e-01 
4.18 -3.175979804e-01 
4.20 -3.041978955e-01 
4.22 -2.911206123e-01 
4.24 -2.783751400e-01 
4.26 -2.659751504e-01 
4.28 -2.539381478e-01 
4.30 -2.422842373e-01 
4.32 -2.310345593e-01 
4.34 -2.202095157e-01 
4.36 -2.098269624e-01 
4.38 -1.999005616e-01 
4.40 -1.904384676e-01 
4.42 -1.814424839e-01 
4.44 -1.729077485e-01 
4.46 -1.648229323e-01 
4.48 -1.571703796e-01 
4.50 -1.499280378e-01 
4.52 -1.430705493e-01 
4.54 -1.365697487e-01 
4.56 -1.303958595e-01 
4.58 -1.245185421e-01 
4.60 -1.189077597e-01 
4.62 -1.135344576e-01 
4.64 -1.083710714e-01 
4.66 -1.033918937e-01 
4.68 -9.857333395e-02 
4.70 -9.389410432e-02 
4.72 -8.933536088e-02 
4.74 -8.488082373e-02 
4.76 -8.051689010e-02 
4.78 -7.623274716e-02 
4.80 -7.202048081e-02 
4.82 -6.787517781e-02 
4.84 -6.379498320e-02 
4.86 -5.978111763e-02 
4.88 -5.583780719e-02 
4.90 -5.197210967e-02 
4.92 -4.819361605e-02 
4.94 -4.451401753e-02 
4.96 -4.094654208e-02 
4.98 -3.750528124e-02 
5.00 -3.420444353e-02 
5.02 -3.105758473e-02 
5.04 -2.807687246e-02 
5.06 -2.527244234e-02 
5.08 -2.265189509e-02 
5.10 -2.021996935e-02 
5.12 -1.797840152e-02 
5.14 -1.592597157e-02 
5.16 -1.405871283e-02 
5.18 -1.237024590e-02 
5.20 -1.085216253e-02 
5.22 -9.494121393e-03 
5.24 -8.285331441e-03 
5.26 -7.214445537e-03 
5.28 -6.269744584e-03 
5.30 -5.439511264e-03 
5.32 -4.712324436e-03 
5.34 -4.077278009e-03 
5.36 -3.524132189e-03 
5.38 -3.043407180e-03 
5.40 -2.626430058e-03 
5.42 -2.265345186e-03 
5.44 -1.953097517e-03 
5.46 -1.683396808e-03 
5.48 -1.450669330e-03 
5.50 -1.250002295e-03 
5.52 -1.077084978e-03 
5.54 -9.281494598e-04 
5.56 -7.999130356e-04 
5.58 -6.895236626e-04 
5.60 -5.945092650e-04 
5.62 -5.127313330e-04 
5.64 -4.423429575e-04 
5.66 -3.817512417e-04 
5.68 -3.295839000e-04 
5.70 -2.846597704e-04 
5.72 -2.459629230e-04 
5.74 -2.126200277e-04 
5.76 -1.838806457e-04 
5.78 -1.591001202e-04 
5.80 -1.377247635e-04 
5.82 -1.192790588e-04 
5.84 -1.033546242e-04 
5.86 -8.960070882e-05 
5.88 -7.771601935e-05 
5.90 -6.744169755e-05 
5.92 -5.855529103e-05 
5.94 -5.086558010e-05 
5.96 -4.420814130e-05 
5.98 -3.844154383e-05 
6.00 -3.344408932e-05