# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2015--Purja-Pun-G-P-Yamakov-V-Mishin-Y--Ni-Al-Co
# implementation = 2015--Purja-Pun-G-P--Ni-Al-Co--LAMMPS--ipr2
# 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 2022-05-24

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  6.185915959e+04 
1.00  5.645577600e+04 
1.02  5.127789177e+04 
1.04  4.646877617e+04 
1.06  4.200965797e+04 
1.08  3.788319919e+04 
1.10  3.407252160e+04 
1.12  3.056114509e+04 
1.14  2.733284863e+04 
1.16  2.437176430e+04 
1.18  2.166255917e+04 
1.20  1.919041795e+04 
1.22  1.694121110e+04 
1.24  1.490135337e+04 
1.26  1.305688123e+04 
1.28  1.138997073e+04 
1.30  9.888449451e+03 
1.32  8.541500779e+03 
1.34  7.338493042e+03 
1.36  6.269148608e+03 
1.38  5.323477893e+03 
1.40  4.491678369e+03 
1.42  3.764202295e+03 
1.44  3.131844529e+03 
1.46  2.585788088e+03 
1.48  2.117619962e+03 
1.50  1.719343457e+03 
1.52  1.383347874e+03 
1.54  1.102435348e+03 
1.56  8.698696693e+02 
1.58  6.793622832e+02 
1.60  5.250733014e+02 
1.62  4.016330627e+02 
1.64  3.041486710e+02 
1.66  2.281915855e+02 
1.68  1.697921427e+02 
1.70  1.254436910e+02 
1.72  9.210388647e+01 
1.74  6.719049300e+01 
1.76  4.857709391e+01 
1.78  3.459146845e+01 
1.80  2.401761627e+01 
1.82  1.608305806e+01 
1.84  1.027570121e+01 
1.86  6.155617680e+00 
1.88  3.336043684e+00 
1.90  1.481084986e+00 
1.92  3.053178985e-01 
1.94 -4.251766875e-01 
1.96 -8.927614574e-01 
1.98 -1.228291249e+00 
2.00 -1.511023672e+00 
2.02 -1.770683497e+00 
2.04 -2.010433760e+00 
2.06 -2.229846852e+00 
2.08 -2.427518550e+00 
2.10 -2.602429978e+00 
2.12 -2.756769966e+00 
2.14 -2.895331506e+00 
2.16 -3.023978402e+00 
2.18 -3.147224592e+00 
2.20 -3.266222634e+00 
2.22 -3.378811349e+00 
2.24 -3.482477731e+00 
2.26 -3.575468741e+00 
2.28 -3.656777462e+00 
2.30 -3.725620574e+00 
2.32 -3.781806177e+00 
2.34 -3.826165382e+00 
2.36 -3.860008944e+00 
2.38 -3.884733248e+00 
2.40 -3.901517884e+00 
2.42 -3.911270728e+00 
2.44 -3.914682421e+00 
2.46 -3.912282131e+00 
2.48 -3.904650656e+00 
2.50 -3.892278548e+00 
2.52 -3.875581899e+00 
2.54 -3.854935441e+00 
2.56 -3.830704760e+00 
2.58 -3.803282864e+00 
2.60 -3.773108939e+00 
2.62 -3.740630522e+00 
2.64 -3.706189123e+00 
2.66 -3.670004128e+00 
2.68 -3.632137636e+00 
2.70 -3.592457937e+00 
2.72 -3.550636609e+00 
2.74 -3.506262077e+00 
2.76 -3.459075664e+00 
2.78 -3.409263039e+00 
2.80 -3.357645979e+00 
2.82 -3.305570126e+00 
2.84 -3.254419609e+00 
2.86 -3.205001554e+00 
2.88 -3.157299250e+00 
2.90 -3.110736469e+00 
2.92 -3.064561769e+00 
2.94 -3.018131242e+00 
2.96 -2.971065036e+00 
2.98 -2.923288499e+00 
3.00 -2.874914092e+00 
3.02 -2.826118362e+00 
3.04 -2.777119800e+00 
3.06 -2.728143210e+00 
3.08 -2.679260043e+00 
3.10 -2.630448252e+00 
3.12 -2.581711654e+00 
3.14 -2.533074256e+00 
3.16 -2.484579676e+00 
3.18 -2.436302096e+00 
3.20 -2.388332974e+00 
3.22 -2.340718066e+00 
3.24 -2.293432144e+00 
3.26 -2.246425128e+00 
3.28 -2.199654494e+00 
3.30 -2.153091243e+00 
3.32 -2.106710455e+00 
3.34 -2.060477663e+00 
3.36 -2.014361181e+00 
3.38 -1.968335185e+00 
3.40 -1.922380193e+00 
3.42 -1.876484021e+00 
3.44 -1.830643306e+00 
3.46 -1.784865771e+00 
3.48 -1.739177043e+00 
3.50 -1.693648689e+00 
3.52 -1.648379302e+00 
3.54 -1.603456813e+00 
3.56 -1.558981373e+00 
3.58 -1.515073089e+00 
3.60 -1.471868910e+00 
3.62 -1.429517820e+00 
3.64 -1.388155539e+00 
3.66 -1.347884147e+00 
3.68 -1.308760125e+00 
3.70 -1.270793442e+00 
3.72 -1.233974539e+00 
3.74 -1.198286606e+00 
3.76 -1.163701529e+00 
3.78 -1.130188813e+00 
3.80 -1.097720862e+00 
3.82 -1.066274381e+00 
3.84 -1.035828632e+00 
3.86 -1.006360565e+00 
3.88 -9.778499256e-01 
3.90 -9.502794926e-01 
3.92 -9.236281676e-01 
3.94 -8.978709801e-01 
3.96 -8.729794091e-01 
3.98 -8.489216935e-01 
4.00 -8.256631212e-01 
4.02 -8.031662979e-01 
4.04 -7.813913923e-01 
4.06 -7.602964207e-01 
4.08 -7.398428441e-01 
4.10 -7.199998954e-01 
4.12 -7.007361012e-01 
4.14 -6.820184384e-01 
4.16 -6.638124500e-01 
4.18 -6.460823443e-01 
4.20 -6.287910781e-01 
4.22 -6.119004270e-01 
4.24 -5.953727565e-01 
4.26 -5.791756210e-01 
4.28 -5.632807660e-01 
4.30 -5.476730425e-01 
4.32 -5.323407956e-01 
4.34 -5.172730329e-01 
4.36 -5.024673910e-01 
4.38 -4.879304235e-01 
4.40 -4.736696580e-01 
4.42 -4.596932179e-01 
4.44 -4.460098166e-01 
4.46 -4.326287578e-01 
4.48 -4.195599217e-01 
4.50 -4.068137643e-01 
4.52 -3.943998879e-01 
4.54 -3.823186253e-01 
4.56 -3.705657229e-01 
4.58 -3.591371056e-01 
4.60 -3.480291261e-01 
4.62 -3.372385497e-01 
4.64 -3.267625433e-01 
4.66 -3.165986789e-01 
4.68 -3.067449392e-01 
4.70 -2.971997133e-01 
4.72 -2.879611238e-01 
4.74 -2.790207449e-01 
4.76 -2.703662287e-01 
4.78 -2.619851871e-01 
4.80 -2.538653422e-01 
4.82 -2.459946902e-01 
4.84 -2.383617032e-01 
4.86 -2.309556111e-01 
4.88 -2.237667149e-01 
4.90 -2.167867787e-01 
4.92 -2.100094167e-01 
4.94 -2.034305601e-01 
4.96 -1.970489015e-01 
4.98 -1.908662341e-01 
5.00 -1.848875882e-01 
5.02 -1.791218696e-01 
5.04 -1.735851769e-01 
5.06 -1.682942821e-01 
5.08 -1.632640848e-01 
5.10 -1.585044228e-01 
5.12 -1.540173063e-01 
5.14 -1.497954163e-01 
5.16 -1.458181675e-01 
5.18 -1.420506581e-01 
5.20 -1.384477892e-01 
5.22 -1.349563113e-01 
5.24 -1.315198079e-01 
5.26 -1.280850917e-01 
5.28 -1.246089064e-01 
5.30 -1.210640931e-01 
5.32 -1.174440513e-01 
5.34 -1.137644547e-01 
5.36 -1.100612370e-01 
5.38 -1.063847666e-01 
5.40 -1.027910025e-01 
5.42 -9.933148451e-02 
5.44 -9.604431828e-02 
5.46 -9.294853535e-02 
5.48 -9.004375640e-02 
5.50 -8.731145006e-02 
5.52 -8.471889224e-02 
5.54 -8.222478387e-02 
5.56 -7.978477406e-02 
5.58 -7.735568757e-02 
5.60 -7.489872218e-02 
5.62 -7.238136128e-02 
5.64 -6.977829737e-02 
5.66 -6.707190076e-02 
5.68 -6.425278392e-02 
5.70 -6.131537992e-02 
5.72 -5.825822857e-02 
5.74 -5.508494778e-02 
5.76 -5.180284927e-02 
5.78 -4.842141593e-02 
5.80 -4.495158579e-02 
5.82 -4.145564804e-02 
5.84 -3.785125593e-02 
5.86 -3.402389916e-02 
5.88 -3.049902337e-02 
5.90 -2.733229694e-02 
5.92 -2.416753505e-02 
5.94 -2.096571241e-02 
5.96 -1.757762379e-02 
5.98 -1.401630210e-02 
6.00 -1.052070747e-02