# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2024--Mendelev-M-I--Ni-Ti
# implementation = 2024--Mendelev-M-I--Ni-Ti--LAMMPS--ipr1
# composition = NiTi2
# 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  1.333095073e+04 
1.06  1.226541299e+04 
1.08  1.127839366e+04 
1.10  1.036285861e+04 
1.12  9.512430226e+03 
1.14  8.721410141e+03 
1.16  7.984757233e+03 
1.18  7.297960957e+03 
1.20  6.656950234e+03 
1.22  6.058068843e+03 
1.24  5.497996193e+03 
1.26  4.973706502e+03 
1.28  4.482459615e+03 
1.30  4.021746851e+03 
1.32  3.589264593e+03 
1.34  3.182896636e+03 
1.36  2.800714871e+03 
1.38  2.440973126e+03 
1.40  2.102080007e+03 
1.42  1.782582527e+03 
1.44  1.482924454e+03 
1.46  1.212637526e+03 
1.48  9.683442891e+02 
1.50  7.453573720e+02 
1.52  5.401710890e+02 
1.54  3.765624847e+02 
1.56  2.627948812e+02 
1.58  1.842620189e+02 
1.60  1.304781388e+02 
1.62  9.393868068e+01 
1.64  6.929838976e+01 
1.66  5.277451014e+01 
1.68  4.171057076e+01 
1.70  3.425617155e+01 
1.72  2.913554737e+01 
1.74  2.548414627e+01 
1.76  2.272917139e+01 
1.78  2.050084419e+01 
1.80  1.856837643e+01 
1.82  1.679415474e+01 
1.84  1.510147962e+01 
1.86  1.345262497e+01 
1.88  1.183424066e+01 
1.90  1.024767565e+01 
1.92  8.702876698e+00 
1.94  7.213752783e+00 
1.96  5.792653080e+00 
1.98  4.448424019e+00 
2.00  3.186766302e+00 
2.02  2.010970593e+00 
2.04  9.223974499e-01 
2.06 -7.888379919e-02 
2.08 -9.934692510e-01 
2.10 -1.814914110e+00 
2.12 -2.544380163e+00 
2.14 -3.189825325e+00 
2.16 -3.756005815e+00 
2.18 -4.248359465e+00 
2.20 -4.672688164e+00 
2.22 -5.034938282e+00 
2.24 -5.341047657e+00 
2.26 -5.596841542e+00 
2.28 -5.807961553e+00 
2.30 -5.979813405e+00 
2.32 -6.117512450e+00 
2.34 -6.225497895e+00 
2.36 -6.306777886e+00 
2.38 -6.364388155e+00 
2.40 -6.403027543e+00 
2.42 -6.426385431e+00 
2.44 -6.435467260e+00 
2.46 -6.431063932e+00 
2.48 -6.415287837e+00 
2.50 -6.390913059e+00 
2.52 -6.360301489e+00 
2.54 -6.324944115e+00 
2.56 -6.285232692e+00 
2.58 -6.241226152e+00 
2.60 -6.193522368e+00 
2.62 -6.143137276e+00 
2.64 -6.091269799e+00 
2.66 -6.039075669e+00 
2.68 -5.987251533e+00 
2.70 -5.935944973e+00 
2.72 -5.884843874e+00 
2.74 -5.833450757e+00 
2.76 -5.781373967e+00 
2.78 -5.728393197e+00 
2.80 -5.674451802e+00 
2.82 -5.619544651e+00 
2.84 -5.563673939e+00 
2.86 -5.506857536e+00 
2.88 -5.449146158e+00 
2.90 -5.390648310e+00 
2.92 -5.331562959e+00 
2.94 -5.272220015e+00 
2.96 -5.213097823e+00 
2.98 -5.154572897e+00 
3.00 -5.096713612e+00 
3.02 -5.039341514e+00 
3.04 -4.982132581e+00 
3.06 -4.924715839e+00 
3.08 -4.866726605e+00 
3.10 -4.807844351e+00 
3.12 -4.747819637e+00 
3.14 -4.686490844e+00 
3.16 -4.623791226e+00 
3.18 -4.559746527e+00 
3.20 -4.494464682e+00 
3.22 -4.428118163e+00 
3.24 -4.360919220e+00 
3.26 -4.293088498e+00 
3.28 -4.224817518e+00 
3.30 -4.156225458e+00 
3.32 -4.087313555e+00 
3.34 -4.018014679e+00 
3.36 -3.948358083e+00 
3.38 -3.878474386e+00 
3.40 -3.808558924e+00 
3.42 -3.738841832e+00 
3.44 -3.669565341e+00 
3.46 -3.600968536e+00 
3.48 -3.533276646e+00 
3.50 -3.466688067e+00 
3.52 -3.401367882e+00 
3.54 -3.337447352e+00 
3.56 -3.275026788e+00 
3.58 -3.214181218e+00 
3.60 -3.154968223e+00 
3.62 -3.097436726e+00 
3.64 -3.041626614e+00 
3.66 -2.987561051e+00 
3.68 -2.935248006e+00 
3.70 -2.884680420e+00 
3.72 -2.835830358e+00 
3.74 -2.788648164e+00 
3.76 -2.743065778e+00 
3.78 -2.699000233e+00 
3.80 -2.656357072e+00 
3.82 -2.615033615e+00 
3.84 -2.574921996e+00 
3.86 -2.535911901e+00 
3.88 -2.497892971e+00 
3.90 -2.460756829e+00 
3.92 -2.424398707e+00 
3.94 -2.388718669e+00 
3.96 -2.353622433e+00 
3.98 -2.319021810e+00 
4.00 -2.284834789e+00 
4.02 -2.250985318e+00 
4.04 -2.217402828e+00 
4.06 -2.184021585e+00 
4.08 -2.150779938e+00 
4.10 -2.117619577e+00 
4.12 -2.084484896e+00 
4.14 -2.051322592e+00 
4.16 -2.018081636e+00 
4.18 -1.984713771e+00 
4.20 -1.951174683e+00 
4.22 -1.917426042e+00 
4.24 -1.883438477e+00 
4.26 -1.849192456e+00 
4.28 -1.814675242e+00 
4.30 -1.779880407e+00 
4.32 -1.744808095e+00 
4.34 -1.709465179e+00 
4.36 -1.673865292e+00 
4.38 -1.638028769e+00 
4.40 -1.601982435e+00 
4.42 -1.565759232e+00 
4.44 -1.529397737e+00 
4.46 -1.492941483e+00 
4.48 -1.456438106e+00 
4.50 -1.419938289e+00 
4.52 -1.383494533e+00 
4.54 -1.347159668e+00 
4.56 -1.310985162e+00 
4.58 -1.275019174e+00 
4.60 -1.239304438e+00 
4.62 -1.203875753e+00 
4.64 -1.168756937e+00 
4.66 -1.133958268e+00 
4.68 -1.099473087e+00 
4.70 -1.065276560e+00 
4.72 -1.031349297e+00 
4.74 -9.976864355e-01 
4.76 -9.643016083e-01 
4.78 -9.312157933e-01 
4.80 -8.984652178e-01 
4.82 -8.660876207e-01 
4.84 -8.341273592e-01 
4.86 -8.026407701e-01 
4.88 -7.716642973e-01 
4.90 -7.412513603e-01 
4.92 -7.114660142e-01 
4.94 -6.823079802e-01 
4.96 -6.536870197e-01 
4.98 -6.258388280e-01 
5.00 -5.989508842e-01 
5.02 -5.731545776e-01 
5.04 -5.486229637e-01 
5.06 -5.252450457e-01 
5.08 -5.025924489e-01 
5.10 -4.803512117e-01 
5.12 -4.582928567e-01 
5.14 -4.364822595e-01 
5.16 -4.150121761e-01 
5.18 -3.939858541e-01 
5.20 -3.734946033e-01 
5.22 -3.534696535e-01 
5.24 -3.338792855e-01 
5.26 -3.147373715e-01 
5.28 -2.960855557e-01 
5.30 -2.779793269e-01 
5.32 -2.604581735e-01 
5.34 -2.436932270e-01 
5.36 -2.278415524e-01 
5.38 -2.129862939e-01 
5.40 -1.991570545e-01 
5.42 -1.863456397e-01 
5.44 -1.745180876e-01 
5.46 -1.636237495e-01 
5.48 -1.536020434e-01 
5.50 -1.443873886e-01 
5.52 -1.359127339e-01 
5.54 -1.281120069e-01 
5.56 -1.209217495e-01 
5.58 -1.142821448e-01 
5.60 -1.081375978e-01 
5.62 -1.024369962e-01 
5.64 -9.713374568e-02 
5.66 -9.218565277e-02 
5.68 -8.755470878e-02 
5.70 -8.320681494e-02 
5.72 -7.911147703e-02 
5.74 -7.524149038e-02 
5.76 -7.157262991e-02 
5.78 -6.808335579e-02 
5.80 -6.475454235e-02 
5.82 -6.156923647e-02 
5.84 -5.851245022e-02 
5.86 -5.557099268e-02 
5.88 -5.273334547e-02 
5.90 -4.998958727e-02 
5.92 -4.733137276e-02 
5.94 -4.475197240e-02 
5.96 -4.224638001e-02 
5.98 -3.981149573e-02 
6.00 -3.744628041e-02