# 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 = Nb2Ni
# 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  1.279481179e+05 
1.06  1.187231739e+05 
1.08  1.101727606e+05 
1.10  1.022365038e+05 
1.12  9.486041034e+04 
1.14  8.799614253e+04 
1.16  8.160051709e+04 
1.18  7.563474473e+04 
1.20  7.006364359e+04 
1.22  6.485537394e+04 
1.24  5.998108984e+04 
1.26  5.541444910e+04 
1.28  5.113138626e+04 
1.30  4.711003352e+04 
1.32  4.333049318e+04 
1.34  3.977471715e+04 
1.36  3.642643389e+04 
1.38  3.327103680e+04 
1.40  3.029518997e+04 
1.42  2.748659840e+04 
1.44  2.483394104e+04 
1.46  2.232684174e+04 
1.48  1.995580010e+04 
1.50  1.771197160e+04 
1.52  1.558713520e+04 
1.54  1.357361920e+04 
1.56  1.166427069e+04 
1.58  9.852439531e+03 
1.60  8.131970500e+03 
1.62  6.497166661e+03 
1.64  5.050688020e+03 
1.66  3.924122627e+03 
1.68  3.048297855e+03 
1.70  2.367161375e+03 
1.72  1.837325686e+03 
1.74  1.425166244e+03 
1.76  1.104592134e+03 
1.78  8.553296761e+02 
1.80  6.615940520e+02 
1.82  5.110793381e+02 
1.84  3.941915293e+02 
1.86  3.034559391e+02 
1.88  2.330508289e+02 
1.90  1.784440347e+02 
1.92  1.361099228e+02 
1.94  1.033061869e+02 
1.96  7.789869107e+01 
1.98  5.822481855e+01 
2.00  4.298744624e+01 
2.02  3.123252241e+01 
2.04  2.225971141e+01 
2.06  1.543022437e+01 
2.08  1.024612817e+01 
2.10  6.313550642e+00 
2.12  3.330564873e+00 
2.14  1.070701149e+00 
2.16 -6.385651164e-01 
2.18 -1.929710555e+00 
2.20 -2.904337883e+00 
2.22 -3.640795849e+00 
2.24 -4.199647497e+00 
2.26 -4.626936830e+00 
2.28 -4.957268048e+00 
2.30 -5.216471148e+00 
2.32 -5.423688646e+00 
2.34 -5.593000923e+00 
2.36 -5.734669882e+00 
2.38 -5.856066945e+00 
2.40 -5.962344404e+00 
2.42 -6.056862435e+00 
2.44 -6.141378873e+00 
2.46 -6.216061335e+00 
2.48 -6.279931006e+00 
2.50 -6.331634498e+00 
2.52 -6.369893593e+00 
2.54 -6.393889430e+00 
2.56 -6.403656131e+00 
2.58 -6.400156222e+00 
2.60 -6.384572355e+00 
2.62 -6.358157611e+00 
2.64 -6.322657259e+00 
2.66 -6.280529779e+00 
2.68 -6.234514577e+00 
2.70 -6.187122579e+00 
2.72 -6.140434530e+00 
2.74 -6.095430155e+00 
2.76 -6.052131217e+00 
2.78 -6.010648126e+00 
2.80 -5.971490831e+00 
2.82 -5.934953701e+00 
2.84 -5.900795692e+00 
2.86 -5.868413359e+00 
2.88 -5.836978171e+00 
2.90 -5.805603277e+00 
2.92 -5.773499450e+00 
2.94 -5.740042225e+00 
2.96 -5.704734062e+00 
2.98 -5.667178642e+00 
3.00 -5.627015018e+00 
3.02 -5.583860194e+00 
3.04 -5.537332899e+00 
3.06 -5.487083551e+00 
3.08 -5.432857766e+00 
3.10 -5.374596748e+00 
3.12 -5.312570382e+00 
3.14 -5.247528390e+00 
3.16 -5.180481234e+00 
3.18 -5.112233749e+00 
3.20 -5.043361564e+00 
3.22 -4.974261004e+00 
3.24 -4.905193781e+00 
3.26 -4.836326088e+00 
3.28 -4.767761689e+00 
3.30 -4.699568565e+00 
3.32 -4.631798597e+00 
3.34 -4.564499735e+00 
3.36 -4.497720028e+00 
3.38 -4.431502857e+00 
3.40 -4.365872657e+00 
3.42 -4.300819624e+00 
3.44 -4.236317230e+00 
3.46 -4.172319004e+00 
3.48 -4.108743944e+00 
3.50 -4.045510283e+00 
3.52 -3.982549612e+00 
3.54 -3.919805080e+00 
3.56 -3.857229061e+00 
3.58 -3.794780879e+00 
3.60 -3.732424975e+00 
3.62 -3.670129885e+00 
3.64 -3.607868456e+00 
3.66 -3.545619685e+00 
3.68 -3.483372603e+00 
3.70 -3.421129720e+00 
3.72 -3.358898520e+00 
3.74 -3.296684643e+00 
3.76 -3.234490960e+00 
3.78 -3.172317267e+00 
3.80 -3.110160368e+00 
3.82 -3.048014551e+00 
3.84 -2.985872432e+00 
3.86 -2.923726137e+00 
3.88 -2.861568785e+00 
3.90 -2.799396199e+00 
3.92 -2.737208785e+00 
3.94 -2.675013493e+00 
3.96 -2.612825750e+00 
3.98 -2.550671268e+00 
4.00 -2.488587585e+00 
4.02 -2.426625216e+00 
4.04 -2.364848245e+00 
4.06 -2.303334201e+00 
4.08 -2.242173039e+00 
4.10 -2.181465021e+00 
4.12 -2.121317306e+00 
4.14 -2.061839015e+00 
4.16 -2.003134538e+00 
4.18 -1.945294847e+00 
4.20 -1.888386541e+00 
4.22 -1.832438348e+00 
4.24 -1.777425588e+00 
4.26 -1.723273447e+00 
4.28 -1.669887462e+00 
4.30 -1.617165117e+00 
4.32 -1.565003036e+00 
4.34 -1.513305799e+00 
4.36 -1.461996529e+00 
4.38 -1.411029402e+00 
4.40 -1.360404221e+00 
4.42 -1.310183230e+00 
4.44 -1.260499570e+00 
4.46 -1.211500677e+00 
4.48 -1.163304973e+00 
4.50 -1.116003672e+00 
4.52 -1.069664898e+00 
4.54 -1.024337385e+00 
4.56 -9.800538055e-01 
4.58 -9.368337356e-01 
4.60 -8.946862775e-01 
4.62 -8.536123683e-01 
4.64 -8.136067845e-01 
4.66 -7.746598759e-01 
4.68 -7.367590327e-01 
4.70 -6.998899114e-01 
4.72 -6.640374364e-01 
4.74 -6.291866264e-01 
4.76 -5.953231716e-01 
4.78 -5.624339288e-01 
4.80 -5.305071385e-01 
4.82 -4.995326740e-01 
4.84 -4.695020470e-01 
4.86 -4.404083382e-01 
4.88 -4.122460741e-01 
4.90 -3.850110224e-01 
4.92 -3.586998885e-01 
4.94 -3.333098993e-01 
4.96 -3.088391486e-01 
4.98 -2.852856262e-01 
5.00 -2.626459600e-01 
5.02 -2.409192552e-01 
5.04 -2.200990992e-01 
5.06 -2.001853983e-01 
5.08 -1.811663801e-01 
5.10 -1.630444518e-01 
5.12 -1.458030293e-01 
5.14 -1.294341803e-01 
5.16 -1.139560378e-01 
5.18 -9.919898130e-02 
5.20 -8.519679054e-02 
5.22 -7.225766942e-02 
5.24 -6.057843516e-02 
5.26 -5.040214013e-02 
5.28 -4.130420763e-02 
5.30 -3.258056929e-02 
5.32 -2.370660699e-02 
5.34 -1.471302039e-02 
5.36 -5.768812592e-03 
5.38  2.916703310e-03 
5.40  1.136420142e-02 
5.42  1.964789755e-02 
5.44  2.772659266e-02 
5.46  3.549539783e-02 
5.48  4.284575377e-02 
5.50  4.947361813e-02 
5.52  5.506903693e-02 
5.54  5.949223351e-02 
5.56  6.271826222e-02 
5.58  6.479599653e-02 
5.60  6.581881988e-02 
5.62  6.590412112e-02 
5.64  6.517931264e-02 
5.66  6.377259636e-02 
5.68  6.180711687e-02 
5.70  5.939747552e-02 
5.72  5.664784606e-02 
5.74  5.365114319e-02 
5.76  5.048885890e-02 
5.78  4.723130637e-02 
5.80  4.393810500e-02 
5.82  4.065880857e-02 
5.84  3.743362747e-02 
5.86  3.429422952e-02 
5.88  3.126462587e-02 
5.90  2.836216213e-02 
5.92  2.559864226e-02 
5.94  2.298161647e-02 
5.96  2.051586459e-02 
5.98  1.820510531e-02 
6.00  1.605319842e-02