# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2023--Liang-A-Goodelman-D-C-Hodge-A-M-et-al--Fe-Ni-Cr-Co-Ti
# implementation = 2023--Liang-A--Fe-Ni-Cr-Co-Ti--LAMMPS--ipr1
# composition = CoTi2
# 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 2024-03-01

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  3.104291434e+02 
0.92  2.866585497e+02 
0.94  2.653492101e+02 
0.96  2.461805091e+02 
0.98  2.283798291e+02 
1.00  2.119846163e+02 
1.02  1.971935376e+02 
1.04  1.836745774e+02 
1.06  1.710123983e+02 
1.08  1.590205399e+02 
1.10  1.476378359e+02 
1.12  1.370442695e+02 
1.14  1.276380051e+02 
1.16  1.194345334e+02 
1.18  1.120498341e+02 
1.20  1.052065209e+02 
1.22  9.858310093e+01 
1.24  9.202329485e+01 
1.26  8.580978713e+01 
1.28  8.044298228e+01 
1.30  7.587118773e+01 
1.32  7.155324438e+01 
1.34  6.710651560e+01 
1.36  6.253298702e+01 
1.38  5.794106761e+01 
1.40  5.336196183e+01 
1.42  4.872903552e+01 
1.44  4.392612134e+01 
1.46  3.893509524e+01 
1.48  3.390855954e+01 
1.50  2.908172726e+01 
1.52  2.462022624e+01 
1.54  2.055914674e+01 
1.56  1.687079006e+01 
1.58  1.352713769e+01 
1.60  1.047762795e+01 
1.62  7.693060097e+00 
1.64  5.257715998e+00 
1.66  3.342290507e+00 
1.68  2.073100905e+00 
1.70  1.434235571e+00 
1.72  1.328093319e+00 
1.74  1.647599005e+00 
1.76  2.258427150e+00 
1.78  3.010714309e+00 
1.80  3.761133918e+00 
1.82  4.384408937e+00 
1.84  4.802269307e+00 
1.86  5.005993333e+00 
1.88  5.053222376e+00 
1.90  5.024088940e+00 
1.92  4.982514699e+00 
1.94  4.951922287e+00 
1.96  4.939964842e+00 
1.98  4.769319574e+00 
2.00  4.347904502e+00 
2.02  3.732369197e+00 
2.04  2.996596405e+00 
2.06  2.220466757e+00 
2.08  1.470893750e+00 
2.10  7.938508893e-01 
2.12  2.149781358e-01 
2.14 -2.688008742e-01 
2.16 -7.043083428e-01 
2.18 -1.104251157e+00 
2.20 -1.454200141e+00 
2.22 -1.753456269e+00 
2.24 -2.010353438e+00 
2.26 -2.238341972e+00 
2.28 -2.453037876e+00 
2.30 -2.664691833e+00 
2.32 -2.871504171e+00 
2.34 -3.069079381e+00 
2.36 -3.253524652e+00 
2.38 -3.421958465e+00 
2.40 -3.572063950e+00 
2.42 -3.702399494e+00 
2.44 -3.813417738e+00 
2.46 -3.906507326e+00 
2.48 -3.983751993e+00 
2.50 -4.047430428e+00 
2.52 -4.099084582e+00 
2.54 -4.139765171e+00 
2.56 -4.170483427e+00 
2.58 -4.192193007e+00 
2.60 -4.205864131e+00 
2.62 -4.212295966e+00 
2.64 -4.211876483e+00 
2.66 -4.204882866e+00 
2.68 -4.191534011e+00 
2.70 -4.172019181e+00 
2.72 -4.146555145e+00 
2.74 -4.115430231e+00 
2.76 -4.079117583e+00 
2.78 -4.038366993e+00 
2.80 -3.994093028e+00 
2.82 -3.947208569e+00 
2.84 -3.898483519e+00 
2.86 -3.848341293e+00 
2.88 -3.796733377e+00 
2.90 -3.743427821e+00 
2.92 -3.688150589e+00 
2.94 -3.630616773e+00 
2.96 -3.570616716e+00 
2.98 -3.508116345e+00 
3.00 -3.443273397e+00 
3.02 -3.376393767e+00 
3.04 -3.307868409e+00 
3.06 -3.238059991e+00 
3.08 -3.167160266e+00 
3.10 -3.095253208e+00 
3.12 -3.022424827e+00 
3.14 -2.948779622e+00 
3.16 -2.874460100e+00 
3.18 -2.799676312e+00 
3.20 -2.724708259e+00 
3.22 -2.649526201e+00 
3.24 -2.573796084e+00 
3.26 -2.497286894e+00 
3.28 -2.420013544e+00 
3.30 -2.342252430e+00 
3.32 -2.264495514e+00 
3.34 -2.187343104e+00 
3.36 -2.111359742e+00 
3.38 -2.036943448e+00 
3.40 -1.964264375e+00 
3.42 -1.893290721e+00 
3.44 -1.823839301e+00 
3.46 -1.755666211e+00 
3.48 -1.688573698e+00 
3.50 -1.622558591e+00 
3.52 -1.557758838e+00 
3.54 -1.494405389e+00 
3.56 -1.432804852e+00 
3.58 -1.373298215e+00 
3.60 -1.316188970e+00 
3.62 -1.261713635e+00 
3.64 -1.210061862e+00 
3.66 -1.161389421e+00 
3.68 -1.115835420e+00 
3.70 -1.073521809e+00 
3.72 -1.034442673e+00 
3.74 -9.984341587e-01 
3.76 -9.652997679e-01 
3.78 -9.348251460e-01 
3.80 -9.067812991e-01 
3.82 -8.809280488e-01 
3.84 -8.570173706e-01 
3.86 -8.348006537e-01 
3.88 -8.140689119e-01 
3.90 -7.946349292e-01 
3.92 -7.763136408e-01 
3.94 -7.589228995e-01 
3.96 -7.422844152e-01 
3.98 -7.262246015e-01 
4.00 -7.105751224e-01 
4.02 -6.951803680e-01 
4.04 -6.799103718e-01 
4.06 -6.646455520e-01 
4.08 -6.493085286e-01 
4.10 -6.338729659e-01 
4.12 -6.183208167e-01 
4.14 -6.026387548e-01 
4.16 -5.868177909e-01 
4.18 -5.708521268e-01 
4.20 -5.547429729e-01 
4.22 -5.385178368e-01 
4.24 -5.222125169e-01 
4.26 -5.058615052e-01 
4.28 -4.894830690e-01 
4.30 -4.730348387e-01 
4.32 -4.564506591e-01 
4.34 -4.396556516e-01 
4.36 -4.227400906e-01 
4.38 -4.061231043e-01 
4.40 -3.899513219e-01 
4.42 -3.741303695e-01 
4.44 -3.584534891e-01 
4.46 -3.426931943e-01 
4.48 -3.266614148e-01 
4.50 -3.102465089e-01 
4.52 -2.934189329e-01 
4.54 -2.761998354e-01 
4.56 -2.587007917e-01 
4.58 -2.411152383e-01 
4.60 -2.236969549e-01 
4.62 -2.067373440e-01 
4.64 -1.905393596e-01 
4.66 -1.753896572e-01 
4.68 -1.615303623e-01 
4.70 -1.491357277e-01 
4.72 -1.382981113e-01 
4.74 -1.290083146e-01 
4.76 -1.211524281e-01 
4.78 -1.145411664e-01 
4.80 -1.090177658e-01 
4.82 -1.044073040e-01 
4.84 -1.005159218e-01 
4.86 -9.714891994e-02 
4.88 -9.412444100e-02 
4.90 -9.128362697e-02 
4.92 -8.849560588e-02 
4.94 -8.565626938e-02 
4.96 -8.271083678e-02 
4.98 -7.963282122e-02 
5.00 -7.640593391e-02 
5.02 -7.302733625e-02 
5.04 -6.953166386e-02 
5.06 -6.595113043e-02 
5.08 -6.230462822e-02 
5.10 -5.860677579e-02 
5.12 -5.487039695e-02 
5.14 -5.110964804e-02 
5.16 -4.734235970e-02 
5.18 -4.359225256e-02 
5.20 -3.989092659e-02 
5.22 -3.627186034e-02 
5.24 -3.275099123e-02 
5.26 -2.934330420e-02 
5.28 -2.606761516e-02 
5.30 -2.294423259e-02 
5.32 -1.999270579e-02 
5.34 -1.723067630e-02 
5.36 -1.467281001e-02 
5.38 -1.233075897e-02 
5.40 -1.021303272e-02 
5.42 -8.325028644e-03 
5.44 -6.668618139e-03 
5.46 -5.241256768e-03 
5.48 -4.035359727e-03 
5.50 -3.036875113e-03 
5.52 -2.226854183e-03 
5.54 -1.585107121e-03 
5.56 -1.091211489e-03 
5.58 -7.230082476e-04 
5.60 -4.579406047e-04 
5.62 -2.745769851e-04 
5.64 -1.536774555e-04 
5.66 -7.845876758e-05 
5.68 -3.505552823e-05 
5.70 -1.249535102e-05 
5.72 -2.469179240e-06 
5.74  7.757718242e-07 
5.76  9.939167333e-07 
5.78  3.804608816e-07 
5.80 -1.385724502e-08 
5.82  0.000000000e+00 
5.84  0.000000000e+00 
5.86  0.000000000e+00 
5.88  0.000000000e+00 
5.90  0.000000000e+00 
5.92  0.000000000e+00 
5.94  0.000000000e+00 
5.96  0.000000000e+00 
5.98  0.000000000e+00 
6.00  0.000000000e+00