# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2024--Mendelev-M-I--Ni-Al-Nb
# implementation = 2024--Mendelev-M-I--Ni-Al-Nb--LAMMPS--ipr1
# composition = AlNb2
# 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 2024-11-27

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  3.966610500e+05 
1.06  3.696871581e+05 
1.08  3.446804033e+05 
1.10  3.214648560e+05 
1.12  2.998837055e+05 
1.14  2.797962970e+05 
1.16  2.610763140e+05 
1.18  2.436100037e+05 
1.20  2.272949024e+05 
1.22  2.120387547e+05 
1.24  1.977577592e+05 
1.26  1.843757967e+05 
1.28  1.718238213e+05 
1.30  1.600386394e+05 
1.32  1.489623376e+05 
1.34  1.385420734e+05 
1.36  1.287296491e+05 
1.38  1.194810082e+05 
1.40  1.107559982e+05 
1.42  1.025182750e+05 
1.44  9.473493608e+04 
1.46  8.737569615e+04 
1.48  8.041256530e+04 
1.50  7.381973978e+04 
1.52  6.757361509e+04 
1.54  6.165255977e+04 
1.56  5.603643297e+04 
1.58  5.070632126e+04 
1.60  4.564450052e+04 
1.62  4.083441526e+04 
1.64  3.626064837e+04 
1.66  3.190888190e+04 
1.68  2.776582021e+04 
1.70  2.381903556e+04 
1.72  2.005689942e+04 
1.74  1.646856178e+04 
1.76  1.304631878e+04 
1.78  1.013292495e+04 
1.80  7.860044410e+03 
1.82  6.087927522e+03 
1.84  4.707364349e+03 
1.86  3.632929606e+03 
1.88  2.797722022e+03 
1.90  2.149339651e+03 
1.92  1.646750196e+03 
1.94  1.257834310e+03 
1.96  9.574582887e+02 
1.98  7.259622208e+02 
2.00  5.479741857e+02 
2.02  4.114860307e+02 
2.04  3.071317226e+02 
2.06  2.277058281e+02 
2.08  1.675276678e+02 
2.10  1.221304323e+02 
2.12  8.804734825e+01 
2.14  6.259669497e+01 
2.16  4.370571623e+01 
2.18  2.977593372e+01 
2.20  1.957840767e+01 
2.22  1.217125556e+01 
2.24  6.835264479e+00 
2.26  3.024398791e+00 
2.28  3.265644739e-01 
2.30 -1.567271509e+00 
2.32 -2.887131445e+00 
2.34 -3.802787308e+00 
2.36 -4.438310620e+00 
2.38 -4.883253004e+00 
2.40 -5.201221776e+00 
2.42 -5.436382616e+00 
2.44 -5.618301261e+00 
2.46 -5.765499149e+00 
2.48 -5.888579681e+00 
2.50 -5.992986686e+00 
2.52 -6.080960784e+00 
2.54 -6.153120323e+00 
2.56 -6.209736542e+00 
2.58 -6.251435567e+00 
2.60 -6.278911150e+00 
2.62 -6.292952248e+00 
2.64 -6.294570078e+00 
2.66 -6.284921073e+00 
2.68 -6.265392411e+00 
2.70 -6.237672580e+00 
2.72 -6.203782777e+00 
2.74 -6.166027890e+00 
2.76 -6.126687400e+00 
2.78 -6.087372501e+00 
2.80 -6.048917237e+00 
2.82 -6.011547296e+00 
2.84 -5.975031236e+00 
2.86 -5.938839703e+00 
2.88 -5.902397592e+00 
2.90 -5.865300395e+00 
2.92 -5.827330222e+00 
2.94 -5.788390226e+00 
2.96 -5.748435933e+00 
2.98 -5.707384459e+00 
3.00 -5.665041668e+00 
3.02 -5.621108053e+00 
3.04 -5.575240910e+00 
3.06 -5.527111215e+00 
3.08 -5.476474479e+00 
3.10 -5.423270875e+00 
3.12 -5.367762918e+00 
3.14 -5.310689816e+00 
3.16 -5.253037489e+00 
3.18 -5.195553240e+00 
3.20 -5.138719555e+00 
3.22 -5.082808088e+00 
3.24 -5.027928789e+00 
3.26 -4.974073987e+00 
3.28 -4.921157857e+00 
3.30 -4.869052132e+00 
3.32 -4.817613760e+00 
3.34 -4.766705667e+00 
3.36 -4.716211413e+00 
3.38 -4.666043122e+00 
3.40 -4.616142060e+00 
3.42 -4.566471178e+00 
3.44 -4.516998755e+00 
3.46 -4.467672562e+00 
3.48 -4.418404862e+00 
3.50 -4.369106656e+00 
3.52 -4.319702172e+00 
3.54 -4.270128271e+00 
3.56 -4.220334108e+00 
3.58 -4.170280273e+00 
3.60 -4.119937656e+00 
3.62 -4.069286207e+00 
3.64 -4.018313705e+00 
3.66 -3.967014624e+00 
3.68 -3.915389186e+00 
3.70 -3.863442171e+00 
3.72 -3.811179875e+00 
3.74 -3.758608247e+00 
3.76 -3.705732519e+00 
3.78 -3.652557185e+00 
3.80 -3.599086285e+00 
3.82 -3.545323955e+00 
3.84 -3.491275201e+00 
3.86 -3.436946842e+00 
3.88 -3.382348558e+00 
3.90 -3.327493931e+00 
3.92 -3.272401406e+00 
3.94 -3.217095029e+00 
3.96 -3.161604846e+00 
3.98 -3.105966802e+00 
4.00 -3.050222337e+00 
4.02 -2.994421348e+00 
4.04 -2.938626195e+00 
4.06 -2.882911993e+00 
4.08 -2.827365628e+00 
4.10 -2.772083687e+00 
4.12 -2.717169093e+00 
4.14 -2.662726216e+00 
4.16 -2.608854222e+00 
4.18 -2.555638437e+00 
4.20 -2.503139428e+00 
4.22 -2.451379558e+00 
4.24 -2.400327488e+00 
4.26 -2.349901492e+00 
4.28 -2.299999994e+00 
4.30 -2.250513193e+00 
4.32 -2.201330305e+00 
4.34 -2.152348415e+00 
4.36 -2.103483107e+00 
4.38 -2.054681002e+00 
4.40 -2.005934380e+00 
4.42 -1.957298020e+00 
4.44 -1.908897697e+00 
4.46 -1.860873610e+00 
4.48 -1.813337107e+00 
4.50 -1.766372524e+00 
4.52 -1.720041332e+00 
4.54 -1.674385872e+00 
4.56 -1.629432718e+00 
4.58 -1.585195669e+00 
4.60 -1.541678409e+00 
4.62 -1.498876852e+00 
4.64 -1.456781182e+00 
4.66 -1.415377626e+00 
4.68 -1.374649963e+00 
4.70 -1.334580798e+00 
4.72 -1.295152621e+00 
4.74 -1.256348657e+00 
4.76 -1.218153540e+00 
4.78 -1.180553818e+00 
4.80 -1.143538315e+00 
4.82 -1.107098358e+00 
4.84 -1.071227873e+00 
4.86 -1.035923417e+00 
4.88 -1.001184080e+00 
4.90 -9.670113737e-01 
4.92 -9.334089761e-01 
4.94 -9.003825279e-01 
4.96 -8.679393496e-01 
4.98 -8.360881431e-01 
5.00 -8.048386941e-01 
5.02 -7.742015802e-01 
5.04 -7.441878974e-01 
5.06 -7.148090014e-01 
5.08 -6.860763843e-01 
5.10 -6.580015723e-01 
5.12 -6.305957170e-01 
5.14 -6.038698799e-01 
5.16 -5.778357340e-01 
5.18 -5.525039352e-01 
5.20 -5.278874516e-01 
5.22 -5.039980808e-01 
5.24 -4.808483362e-01 
5.26 -4.584444486e-01 
5.28 -4.367945639e-01 
5.30 -4.158937799e-01 
5.32 -3.957483127e-01 
5.34 -3.763429394e-01 
5.36 -3.576669275e-01 
5.38 -3.397307294e-01 
5.40 -3.223957598e-01 
5.42 -3.056097266e-01 
5.44 -2.896491148e-01 
5.46 -2.746872799e-01 
5.48 -2.609177243e-01 
5.50 -2.481474410e-01 
5.52 -2.356730890e-01 
5.54 -2.229319044e-01 
5.56 -2.097909284e-01 
5.58 -1.963922738e-01 
5.60 -1.829120993e-01 
5.62 -1.694549252e-01 
5.64 -1.559225815e-01 
5.66 -1.423200032e-01 
5.68 -1.287327325e-01 
5.70 -1.152814453e-01 
5.72 -1.021281634e-01 
5.74 -8.963795526e-02 
5.76 -7.805588511e-02 
5.78 -6.749978818e-02 
5.80 -5.800301851e-02 
5.82 -4.954539593e-02 
5.84 -4.207509206e-02 
5.86 -3.552363860e-02 
5.88 -2.981577910e-02 
5.90 -2.487550448e-02 
5.92 -2.062930052e-02 
5.94 -1.700738392e-02 
5.96 -1.394350112e-02 
5.98 -1.137370554e-02 
6.00 -9.235165005e-03