# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2023--Tramontina-D-R-Deluigi-O-R-Pinzon-R-et-al--Fe-Cu-Ni
# implementation = 2023--Tramontina-D-R--Fe-Cu-Ni--LAMMPS--ipr1
# composition = Cu2Ni
# 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 2023-06-29

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  3.845810420e+02 
0.90  3.407045832e+02 
0.92  3.035678590e+02 
0.94  2.722102646e+02 
0.96  2.456269349e+02 
0.98  2.229119890e+02 
1.00  2.032666347e+02 
1.02  1.860664796e+02 
1.04  1.708867798e+02 
1.06  1.572929129e+02 
1.08  1.449030858e+02 
1.10  1.334290113e+02 
1.12  1.226727666e+02 
1.14  1.124962691e+02 
1.16  1.028503557e+02 
1.18  9.375383576e+01 
1.20  8.525782247e+01 
1.22  7.739184347e+01 
1.24  7.012443530e+01 
1.26  6.343069179e+01 
1.28  5.729273018e+01 
1.30  5.169796118e+01 
1.32  4.663061251e+01 
1.34  4.204615861e+01 
1.36  3.789593047e+01 
1.38  3.413492161e+01 
1.40  3.072155050e+01 
1.42  2.761963124e+01 
1.44  2.479641957e+01 
1.46  2.222245885e+01 
1.48  1.987061668e+01 
1.50  1.771659296e+01 
1.52  1.573674492e+01 
1.54  1.391196239e+01 
1.56  1.223172207e+01 
1.58  1.068791694e+01 
1.60  9.273879893e+00 
1.62  7.983191113e+00 
1.64  6.810131512e+00 
1.66  5.750287442e+00 
1.68  4.800045820e+00 
1.70  3.956330265e+00 
1.72  3.213196423e+00 
1.74  2.560262419e+00 
1.76  1.986857346e+00 
1.78  1.482620848e+00 
1.80  1.037772731e+00 
1.82  6.431157667e-01 
1.84  2.898830628e-01 
1.86 -3.059083130e-02 
1.88 -3.271401432e-01 
1.90 -6.088549898e-01 
1.92 -8.827599393e-01 
1.94 -1.146435512e+00 
1.96 -1.394437746e+00 
1.98 -1.624051988e+00 
2.00 -1.835551036e+00 
2.02 -2.029729310e+00 
2.04 -2.207166696e+00 
2.06 -2.368585488e+00 
2.08 -2.514910475e+00 
2.10 -2.647053204e+00 
2.12 -2.765983408e+00 
2.14 -2.872564897e+00 
2.16 -2.967463273e+00 
2.18 -3.051204191e+00 
2.20 -3.124201449e+00 
2.22 -3.186741459e+00 
2.24 -3.239043162e+00 
2.26 -3.281294258e+00 
2.28 -3.313658502e+00 
2.30 -3.336289097e+00 
2.32 -3.349749991e+00 
2.34 -3.356004535e+00 
2.36 -3.355820741e+00 
2.38 -3.349720337e+00 
2.40 -3.338188491e+00 
2.42 -3.321615912e+00 
2.44 -3.300384117e+00 
2.46 -3.274925414e+00 
2.48 -3.245707921e+00 
2.50 -3.213217891e+00 
2.52 -3.177892686e+00 
2.54 -3.140105100e+00 
2.56 -3.100227848e+00 
2.58 -3.058558781e+00 
2.60 -3.015369011e+00 
2.62 -2.970932457e+00 
2.64 -2.925538962e+00 
2.66 -2.879430148e+00 
2.68 -2.832700430e+00 
2.70 -2.785417193e+00 
2.72 -2.737635730e+00 
2.74 -2.689450764e+00 
2.76 -2.640969098e+00 
2.78 -2.592276548e+00 
2.80 -2.543450770e+00 
2.82 -2.494570428e+00 
2.84 -2.445718280e+00 
2.86 -2.396983194e+00 
2.88 -2.348461202e+00 
2.90 -2.300260107e+00 
2.92 -2.252607611e+00 
2.94 -2.205610718e+00 
2.96 -2.158938334e+00 
2.98 -2.112525640e+00 
3.00 -2.066402117e+00 
3.02 -2.020598495e+00 
3.04 -1.975148515e+00 
3.06 -1.930086325e+00 
3.08 -1.885442647e+00 
3.10 -1.841239939e+00 
3.12 -1.797487911e+00 
3.14 -1.754181053e+00 
3.16 -1.711299966e+00 
3.18 -1.668816585e+00 
3.20 -1.626702741e+00 
3.22 -1.584938466e+00 
3.24 -1.543518073e+00 
3.26 -1.502452050e+00 
3.28 -1.461765245e+00 
3.30 -1.421489062e+00 
3.32 -1.381654825e+00 
3.34 -1.342294905e+00 
3.36 -1.303439328e+00 
3.38 -1.265113146e+00 
3.40 -1.227334992e+00 
3.42 -1.190120962e+00 
3.44 -1.153485948e+00 
3.46 -1.117444093e+00 
3.48 -1.082008105e+00 
3.50 -1.047189765e+00 
3.52 -1.012999464e+00 
3.54 -9.794462781e-01 
3.56 -9.465381352e-01 
3.58 -9.142814741e-01 
3.60 -8.826815558e-01 
3.62 -8.517434374e-01 
3.64 -8.214722837e-01 
3.66 -7.918720344e-01 
3.68 -7.629452824e-01 
3.70 -7.346934896e-01 
3.72 -7.071168685e-01 
3.74 -6.802144325e-01 
3.76 -6.539841633e-01 
3.78 -6.284230822e-01 
3.80 -6.035267868e-01 
3.82 -5.792902245e-01 
3.84 -5.557078553e-01 
3.86 -5.327727737e-01 
3.88 -5.104770157e-01 
3.90 -4.888128388e-01 
3.92 -4.677715529e-01 
3.94 -4.473431718e-01 
3.96 -4.275185795e-01 
3.98 -4.082870765e-01 
4.00 -3.896384679e-01 
4.02 -3.715617370e-01 
4.04 -3.540460630e-01 
4.06 -3.370803725e-01 
4.08 -3.206537182e-01 
4.10 -3.047557031e-01 
4.12 -2.893746743e-01 
4.14 -2.745025733e-01 
4.16 -2.601277730e-01 
4.18 -2.462427027e-01 
4.20 -2.328409307e-01 
4.22 -2.199118973e-01 
4.24 -2.074539349e-01 
4.26 -1.954656495e-01 
4.28 -1.839412601e-01 
4.30 -1.728858039e-01 
4.32 -1.623064425e-01 
4.34 -1.521987873e-01 
4.36 -1.425619625e-01 
4.38 -1.334059045e-01 
4.40 -1.247334317e-01 
4.42 -1.165299279e-01 
4.44 -1.087808529e-01 
4.46 -1.014880217e-01 
4.48 -9.465061126e-02 
4.50 -8.824181975e-02 
4.52 -8.222073698e-02 
4.54 -7.655659556e-02 
4.56 -7.124345480e-02 
4.58 -6.627897860e-02 
4.60 -6.165268827e-02 
4.62 -5.733804371e-02 
4.64 -5.331536508e-02 
4.66 -4.957385929e-02 
4.68 -4.611620575e-02 
4.70 -4.294657998e-02 
4.72 -4.007018036e-02 
4.74 -3.749125756e-02 
4.76 -3.521471045e-02 
4.78 -3.324700054e-02 
4.80 -3.155925856e-02 
4.82 -2.996999997e-02 
4.84 -2.845233270e-02 
4.86 -2.700619287e-02 
4.88 -2.563138257e-02 
4.90 -2.432595062e-02 
4.92 -2.308765017e-02 
4.94 -2.191476263e-02 
4.96 -2.080639982e-02 
4.98 -1.976246413e-02 
5.00 -1.878373280e-02 
5.02 -1.787163688e-02 
5.04 -1.702618175e-02 
5.06 -1.624583426e-02 
5.08 -1.553671331e-02 
5.10 -1.490349387e-02 
5.12 -1.434837278e-02 
5.14 -1.387108816e-02 
5.16 -1.346850878e-02 
5.18 -1.313493773e-02 
5.20 -1.286310067e-02 
5.22 -1.264718378e-02 
5.24 -1.248105581e-02 
5.26 -1.235787872e-02 
5.28 -1.227032355e-02 
5.30 -1.221132075e-02 
5.32 -1.217425031e-02 
5.34 -1.215310312e-02 
5.36 -1.214301240e-02 
5.38 -1.213984482e-02 
5.40 -1.214046712e-02 
5.42 -1.214266241e-02 
5.44 -1.214496576e-02 
5.46 -1.214658083e-02 
5.48 -1.214730915e-02 
5.50 -1.214740566e-02 
5.52 -1.214740567e-02 
5.54 -1.214740567e-02 
5.56 -1.214740567e-02 
5.58 -1.214740567e-02 
5.60 -1.214740567e-02 
5.62 -1.214740567e-02 
5.64 -1.214740567e-02 
5.66 -1.214740567e-02 
5.68 -1.214740567e-02 
5.70 -1.214740567e-02 
5.72 -1.214740567e-02 
5.74 -1.214740567e-02 
5.76 -1.214740567e-02 
5.78 -1.214740567e-02 
5.80 -1.214740567e-02 
5.82 -1.214740567e-02 
5.84 -1.214740567e-02 
5.86 -1.214740567e-02 
5.88 -1.214740567e-02 
5.90 -1.214740567e-02 
5.92 -1.214740567e-02 
5.94 -1.214740567e-02 
5.96 -1.214740567e-02 
5.98 -1.214740567e-02 
6.00 -1.214740567e-02