# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2020--Groger-R-Vitek-V-Dlouhy-A--Co-Cr-Fe-Mn-Ni
# implementation = 2020--Groger-R--Co-Cr-Fe-Mn-Ni--LAMMPS--ipr1
# composition = CoFe2
# 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 2022-05-24

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  5.712330062e+04 
1.02  4.498586532e+04 
1.04  3.558665422e+04 
1.06  2.827258458e+04 
1.08  2.255454608e+04 
1.10  1.806423066e+04 
1.12  1.452284112e+04 
1.14  1.171826877e+04 
1.16  9.488353443e+03 
1.18  7.708538734e+03 
1.20  6.282718646e+03 
1.22  5.136415632e+03 
1.24  4.211669257e+03 
1.26  3.463189164e+03 
1.28  2.855445728e+03 
1.30  2.360459255e+03 
1.32  1.956114832e+03 
1.34  1.624870815e+03 
1.36  1.352764369e+03 
1.38  1.128644215e+03 
1.40  9.435758032e+02 
1.42  7.903778217e+02 
1.44  6.632604567e+02 
1.46  5.575423633e+02 
1.48  4.694277065e+02 
1.50  3.958303575e+02 
1.52  3.342341672e+02 
1.54  2.825823679e+02 
1.56  2.391891903e+02 
1.58  2.026694134e+02 
1.60  1.718823992e+02 
1.62  1.458865709e+02 
1.64  1.239025537e+02 
1.66  1.052840175e+02 
1.68  8.949386648e+01 
1.70  7.608486234e+01 
1.72  6.468393518e+01 
1.74  5.497934857e+01 
1.76  4.671004427e+01 
1.78  3.965687732e+01 
1.80  3.363565895e+01 
1.82  2.849138879e+01 
1.84  2.409329394e+01 
1.86  2.033091504e+01 
1.88  1.711087603e+01 
1.90  1.435414866e+01 
1.92  1.199378082e+01 
1.94  9.972870698e+00 
1.96  8.242884991e+00 
1.98  6.762317609e+00 
2.00  5.495743758e+00 
2.02  4.412927763e+00 
2.04  3.488040061e+00 
2.06  2.698902948e+00 
2.08  2.026504245e+00 
2.10  1.454538287e+00 
2.12  9.689972744e-01 
2.14  5.578425602e-01 
2.16  2.107272026e-01 
2.18 -8.123858415e-02 
2.20 -3.256858230e-01 
2.22 -5.291820709e-01 
2.24 -6.974674097e-01 
2.26 -8.355083418e-01 
2.28 -9.475794865e-01 
2.30 -1.037359747e+00 
2.32 -1.108007946e+00 
2.34 -1.162227666e+00 
2.36 -1.202379429e+00 
2.38 -1.230577096e+00 
2.40 -1.248659054e+00 
2.42 -1.258216216e+00 
2.44 -1.260622172e+00 
2.46 -1.257058926e+00 
2.48 -1.248538816e+00 
2.50 -1.235923183e+00 
2.52 -1.219938232e+00 
2.54 -1.201188474e+00 
2.56 -1.180168182e+00 
2.58 -1.157293810e+00 
2.60 -1.132945600e+00 
2.62 -1.107435917e+00 
2.64 -1.081022387e+00 
2.66 -1.053956466e+00 
2.68 -1.026466755e+00 
2.70 -9.987476565e-01 
2.72 -9.709536528e-01 
2.74 -9.432056737e-01 
2.76 -9.156046380e-01 
2.78 -8.882342682e-01 
2.80 -8.611631209e-01 
2.82 -8.344462922e-01 
2.84 -8.081268369e-01 
2.86 -7.822369448e-01 
2.88 -7.568036780e-01 
2.90 -7.318603205e-01 
2.92 -7.074376205e-01 
2.94 -6.835621314e-01 
2.96 -6.602567615e-01 
2.98 -6.375412124e-01 
3.00 -6.154323218e-01 
3.02 -5.939443214e-01 
3.04 -5.730890212e-01 
3.06 -5.528759288e-01 
3.08 -5.333123122e-01 
3.10 -5.144032132e-01 
3.12 -4.961514167e-01 
3.14 -4.785573824e-01 
3.16 -4.616190888e-01 
3.18 -4.453283425e-01 
3.20 -4.296690706e-01 
3.22 -4.146231469e-01 
3.24 -4.001707113e-01 
3.26 -3.862898862e-01 
3.28 -3.729564775e-01 
3.30 -3.601436617e-01 
3.32 -3.478237565e-01 
3.34 -3.359747843e-01 
3.36 -3.245749518e-01 
3.38 -3.136004458e-01 
3.40 -3.030251714e-01 
3.42 -2.928204826e-01 
3.44 -2.829549089e-01 
3.46 -2.733953872e-01 
3.48 -2.641241023e-01 
3.50 -2.551347472e-01 
3.52 -2.464218705e-01 
3.54 -2.379806161e-01 
3.56 -2.298066532e-01 
3.58 -2.218961028e-01 
3.60 -2.142454638e-01 
3.62 -2.068515366e-01 
3.64 -1.997113461e-01 
3.66 -1.928220636e-01 
3.68 -1.861809268e-01 
3.70 -1.797851608e-01 
3.72 -1.736318967e-01 
3.74 -1.677180909e-01 
3.76 -1.620404433e-01 
3.78 -1.565953152e-01 
3.80 -1.513786477e-01 
3.82 -1.463858787e-01 
3.84 -1.416118604e-01 
3.86 -1.370507770e-01 
3.88 -1.326960616e-01 
3.90 -1.285403139e-01 
3.92 -1.245752167e-01 
3.94 -1.207914540e-01 
3.96 -1.171786277e-01 
3.98 -1.137251755e-01 
4.00 -1.104182879e-01 
4.02 -1.072438263e-01 
4.04 -1.041862401e-01 
4.06 -1.012303856e-01 
4.08 -9.836981790e-02 
4.10 -9.560116443e-02 
4.12 -9.292117950e-02 
4.14 -9.032673844e-02 
4.16 -8.781483305e-02 
4.18 -8.538256736e-02 
4.20 -8.302715342e-02 
4.22 -8.074590724e-02 
4.24 -7.853624491e-02 
4.26 -7.639567875e-02 
4.28 -7.432181375e-02 
4.30 -7.231234395e-02 
4.32 -7.036504911e-02 
4.34 -6.847779138e-02 
4.36 -6.664851218e-02 
4.38 -6.487522913e-02 
4.40 -6.315603312e-02 
4.42 -6.148908549e-02 
4.44 -5.987261534e-02 
4.46 -5.830491687e-02 
4.48 -5.678413788e-02 
4.50 -5.530768886e-02 
4.52 -5.387294251e-02 
4.54 -5.247744930e-02 
4.56 -5.111893126e-02 
4.58 -4.979527588e-02 
4.60 -4.850452992e-02 
4.62 -4.724489345e-02 
4.64 -4.601471377e-02 
4.66 -4.481247954e-02 
4.68 -4.363681482e-02 
4.70 -4.248647327e-02 
4.72 -4.136033227e-02 
4.74 -4.025738724e-02 
4.76 -3.917674584e-02 
4.78 -3.811762234e-02 
4.80 -3.707933193e-02 
4.82 -3.606128515e-02 
4.84 -3.506298226e-02 
4.86 -3.408400779e-02 
4.88 -3.312402494e-02 
4.90 -3.218277016e-02 
4.92 -3.126004767e-02 
4.94 -3.035572410e-02 
4.96 -2.946972304e-02 
4.98 -2.860201971e-02 
5.00 -2.775263563e-02 
5.02 -2.692163329e-02 
5.04 -2.610911089e-02 
5.06 -2.531519706e-02 
5.08 -2.454004563e-02 
5.10 -2.378383040e-02 
5.12 -2.304673993e-02 
5.14 -2.232897242e-02 
5.16 -2.163070853e-02 
5.18 -2.095163641e-02 
5.20 -2.029100094e-02 
5.22 -1.964810284e-02 
5.24 -1.902231351e-02 
5.26 -1.841306737e-02 
5.28 -1.781985437e-02 
5.30 -1.724221232e-02 
5.32 -1.667971934e-02 
5.34 -1.613198627e-02 
5.36 -1.559864905e-02 
5.38 -1.507936118e-02 
5.40 -1.457378608e-02 
5.42 -1.408158955e-02 
5.44 -1.360243211e-02 
5.46 -1.313596150e-02 
5.48 -1.268180502e-02 
5.50 -1.223956196e-02 
5.52 -1.180879603e-02 
5.54 -1.138902775e-02 
5.56 -1.097972686e-02 
5.58 -1.058030474e-02 
5.60 -1.019010681e-02 
5.62 -9.808404967e-03 
5.64 -9.434389950e-03 
5.66 -9.067163789e-03 
5.68 -8.705732199e-03 
5.70 -8.348996992e-03 
5.72 -7.995751266e-03 
5.74 -7.645190231e-03 
5.76 -7.297575304e-03 
5.78 -6.953327693e-03 
5.80 -6.612884905e-03 
5.82 -6.276697843e-03 
5.84 -5.945227908e-03 
5.86 -5.618944101e-03 
5.88 -5.298320120e-03 
5.90 -4.983831464e-03 
5.92 -4.675952531e-03 
5.94 -4.375153718e-03 
5.96 -4.081898526e-03 
5.98 -3.796640654e-03 
6.00 -3.519821105e-03