# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2024--Hayakawa-S-Xu-H--Fe-Ni-Al
# implementation = 2024--Hayakawa-S--Fe-Ni-Al--LAMMPS--ipr1
# composition = Al2Ni
# 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 2025-12-17

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  3.772769944e+02 
1.04  3.447002181e+02 
1.06  3.157715755e+02 
1.08  2.900068196e+02 
1.10  2.669711447e+02 
1.12  2.463526431e+02 
1.14  2.279695251e+02 
1.16  2.115303080e+02 
1.18  1.967860612e+02 
1.20  1.835213828e+02 
1.22  1.715469715e+02 
1.24  1.606961632e+02 
1.26  1.508220105e+02 
1.28  1.417961810e+02 
1.30  1.334976863e+02 
1.32  1.258325134e+02 
1.34  1.187307037e+02 
1.36  1.121159819e+02 
1.38  1.055828090e+02 
1.40  9.901125926e+01 
1.42  9.256620741e+01 
1.44  8.636435866e+01 
1.46  8.047590077e+01 
1.48  7.488646784e+01 
1.50  6.956370544e+01 
1.52  6.448197627e+01 
1.54  5.962235872e+01 
1.56  5.497133676e+01 
1.58  5.051943180e+01 
1.60  4.625997518e+01 
1.62  4.218863344e+01 
1.64  3.830385266e+01 
1.66  3.460643177e+01 
1.68  3.109828588e+01 
1.70  2.778179421e+01 
1.72  2.465940978e+01 
1.74  2.173314765e+01 
1.76  1.900440043e+01 
1.78  1.647394554e+01 
1.80  1.414159670e+01 
1.82  1.200569233e+01 
1.84  1.005943480e+01 
1.86  8.295897621e+00 
1.88  6.709555514e+00 
1.90  5.293147893e+00 
1.92  4.037701717e+00 
1.94  2.932924248e+00 
1.96  1.967896758e+00 
1.98  1.131424802e+00 
2.00  4.121446432e-01 
2.02 -2.014278908e-01 
2.04 -7.207324046e-01 
2.06 -1.156934976e+00 
2.08 -1.520701086e+00 
2.10 -1.822017094e+00 
2.12 -2.083084025e+00 
2.14 -2.320918887e+00 
2.16 -2.537070102e+00 
2.18 -2.732993192e+00 
2.20 -2.910082790e+00 
2.22 -3.069618299e+00 
2.24 -3.212691238e+00 
2.26 -3.340209885e+00 
2.28 -3.452961401e+00 
2.30 -3.551686174e+00 
2.32 -3.637092089e+00 
2.34 -3.709854305e+00 
2.36 -3.770610593e+00 
2.38 -3.819953049e+00 
2.40 -3.858421803e+00 
2.42 -3.886543665e+00 
2.44 -3.904877238e+00 
2.46 -3.914014369e+00 
2.48 -3.914575257e+00 
2.50 -3.907201893e+00 
2.52 -3.892550757e+00 
2.54 -3.871285735e+00 
2.56 -3.844072199e+00 
2.58 -3.811573212e+00 
2.60 -3.774447536e+00 
2.62 -3.733324793e+00 
2.64 -3.688780244e+00 
2.66 -3.641340940e+00 
2.68 -3.591464704e+00 
2.70 -3.539543720e+00 
2.72 -3.485933949e+00 
2.74 -3.430963331e+00 
2.76 -3.374924990e+00 
2.78 -3.318078623e+00 
2.80 -3.260653565e+00 
2.82 -3.202852785e+00 
2.84 -3.144858084e+00 
2.86 -3.086837313e+00 
2.88 -3.028954280e+00 
2.90 -2.971372084e+00 
2.92 -2.914227478e+00 
2.94 -2.857614688e+00 
2.96 -2.801588086e+00 
2.98 -2.746166153e+00 
3.00 -2.691336022e+00 
3.02 -2.637060366e+00 
3.04 -2.583286300e+00 
3.06 -2.529955443e+00 
3.08 -2.477014358e+00 
3.10 -2.424424530e+00 
3.12 -2.372171217e+00 
3.14 -2.320270851e+00 
3.16 -2.268776846e+00 
3.18 -2.217783911e+00 
3.20 -2.167428074e+00 
3.22 -2.117875211e+00 
3.24 -2.069289703e+00 
3.26 -2.021818216e+00 
3.28 -1.975588501e+00 
3.30 -1.930709315e+00 
3.32 -1.887270916e+00 
3.34 -1.845345983e+00 
3.36 -1.804990880e+00 
3.38 -1.766247255e+00 
3.40 -1.729145566e+00 
3.42 -1.693708159e+00 
3.44 -1.659937417e+00 
3.46 -1.627807964e+00 
3.48 -1.597268648e+00 
3.50 -1.568244970e+00 
3.52 -1.540641377e+00 
3.54 -1.514345173e+00 
3.56 -1.489237501e+00 
3.58 -1.465199856e+00 
3.60 -1.442115727e+00 
3.62 -1.419871844e+00 
3.64 -1.398359260e+00 
3.66 -1.377474247e+00 
3.68 -1.357119031e+00 
3.70 -1.337202357e+00 
3.72 -1.317639932e+00 
3.74 -1.298354720e+00 
3.76 -1.279277130e+00 
3.78 -1.260345090e+00 
3.80 -1.241504038e+00 
3.82 -1.222706816e+00 
3.84 -1.203913510e+00 
3.86 -1.185091218e+00 
3.88 -1.166213772e+00 
3.90 -1.147261267e+00 
3.92 -1.128218843e+00 
3.94 -1.109075722e+00 
3.96 -1.089824715e+00 
3.98 -1.070461745e+00 
4.00 -1.050985359e+00 
4.02 -1.031396226e+00 
4.04 -1.011696663e+00 
4.06 -9.918901390e-01 
4.08 -9.719808036e-01 
4.10 -9.519730151e-01 
4.12 -9.318709014e-01 
4.14 -9.116780268e-01 
4.16 -8.913985906e-01 
4.18 -8.710389336e-01 
4.20 -8.506075474e-01 
4.22 -8.301149308e-01 
4.24 -8.095734337e-01 
4.26 -7.889970799e-01 
4.28 -7.684014008e-01 
4.30 -7.478032496e-01 
4.32 -7.272206162e-01 
4.34 -7.066724427e-01 
4.36 -6.861784269e-01 
4.38 -6.657588293e-01 
4.40 -6.454342838e-01 
4.42 -6.252256100e-01 
4.44 -6.051536090e-01 
4.46 -5.852389244e-01 
4.48 -5.655021229e-01 
4.50 -5.459637072e-01 
4.52 -5.266437688e-01 
4.54 -5.075619344e-01 
4.56 -4.887375533e-01 
4.58 -4.701889519e-01 
4.60 -4.519342343e-01 
4.62 -4.339897299e-01 
4.64 -4.163719145e-01 
4.66 -3.990958844e-01 
4.68 -3.821766752e-01 
4.70 -3.656248383e-01 
4.72 -3.494508154e-01 
4.74 -3.336666854e-01 
4.76 -3.182851797e-01 
4.78 -3.033188450e-01 
4.80 -2.887708207e-01 
4.82 -2.746343982e-01 
4.84 -2.609070989e-01 
4.86 -2.475918194e-01 
4.88 -2.347046453e-01 
4.90 -2.222629744e-01 
4.92 -2.102780065e-01 
4.94 -1.987642762e-01 
4.96 -1.877015519e-01 
4.98 -1.770595074e-01 
5.00 -1.668077369e-01 
5.02 -1.569240741e-01 
5.04 -1.473991741e-01 
5.06 -1.382284549e-01 
5.08 -1.294111326e-01 
5.10 -1.209485608e-01 
5.12 -1.128431015e-01 
5.14 -1.050973266e-01 
5.16 -9.771349531e-02 
5.18 -9.069387059e-02 
5.20 -8.404082537e-02 
5.22 -7.775069300e-02 
5.24 -7.181859459e-02 
5.26 -6.623874337e-02 
5.28 -6.100291236e-02 
5.30 -5.608706877e-02 
5.32 -5.149146078e-02 
5.34 -4.721704635e-02 
5.36 -4.325772059e-02 
5.38 -3.960262358e-02 
5.40 -3.623796644e-02 
5.42 -3.314823919e-02 
5.44 -3.031701451e-02 
5.46 -2.772777822e-02 
5.48 -2.536416769e-02 
5.50 -2.321045262e-02 
5.52 -2.125094046e-02 
5.54 -1.947121862e-02 
5.56 -1.785798248e-02 
5.58 -1.639892867e-02 
5.60 -1.508071196e-02 
5.62 -1.388950867e-02 
5.64 -1.281468377e-02 
5.66 -1.184991223e-02 
5.68 -1.099218269e-02 
5.70 -1.023084891e-02 
5.72 -9.549425734e-03 
5.74 -8.925867313e-03 
5.76 -8.351380605e-03 
5.78 -7.822739015e-03 
5.80 -7.358925762e-03 
5.82 -6.967831714e-03 
5.84 -6.665920629e-03 
5.86 -6.454413221e-03 
5.88 -6.286971597e-03 
5.90 -6.127530370e-03 
5.92 -5.954249783e-03 
5.94 -5.745288052e-03 
5.96 -5.490722590e-03 
5.98 -5.192398455e-03 
6.00 -4.855372440e-03