# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2021--Song-H-Mendelev-M-I--Al-Sm
# implementation = 2021--Song-H--Al-Sm--LAMMPS--ipr1
# composition = Al2Sm
# 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  nan             
1.02  nan             
1.04  nan             
1.06  nan             
1.08  nan             
1.10  nan             
1.12  nan             
1.14  nan             
1.16 -1.128045464e+06 
1.18 -9.154778794e+05 
1.20 -7.259663942e+05 
1.22 -5.761600997e+05 
1.24 -4.581868931e+05 
1.26 -3.650554797e+05 
1.28 -2.913648885e+05 
1.30 -2.329282758e+05 
1.32 -1.864928026e+05 
1.34 -1.495221253e+05 
1.36 -1.200317352e+05 
1.38 -9.646575550e+04 
1.40 -7.760191688e+04 
1.42 -6.247749040e+04 
1.44 -5.033275552e+04 
1.46 -4.056737603e+04 
1.48 -3.270622226e+04 
1.50 -2.637214624e+04 
1.52 -2.126451875e+04 
1.54 -1.714317789e+04 
1.56 -1.381593581e+04 
1.58 -1.112881306e+04 
1.60 -8.958258564e+03 
1.62 -7.204867417e+03 
1.64 -5.788523097e+03 
1.66 -4.644612209e+03 
1.68 -3.720991137e+03 
1.70 -2.975563785e+03 
1.72 -2.374332058e+03 
1.74 -1.889814276e+03 
1.76 -1.499763745e+03 
1.78 -1.186158762e+03 
1.80 -9.343993849e+02 
1.82 -7.326547670e+02 
1.84 -5.713365316e+02 
1.86 -4.426749774e+02 
1.88 -3.403748586e+02 
1.90 -2.593340149e+02 
1.92 -1.954147036e+02 
1.94 -1.452584043e+02 
1.96 -1.061378318e+02 
1.98 -7.584098817e+01 
2.00 -5.257613926e+01 
2.02 -3.489265619e+01 
2.04 -2.162116141e+01 
2.06 -1.181980445e+01 
2.08 -4.731179010e+00 
2.10  2.515000715e-01 
2.12  3.612797431e+00 
2.14  5.738412843e+00 
2.16  6.934474599e+00 
2.18  7.442954000e+00 
2.20  7.454033403e+00 
2.22  7.116108516e+00 
2.24  6.544066615e+00 
2.26  5.825984996e+00 
2.28  5.028546809e+00 
2.30  4.201477382e+00 
2.32  3.381163997e+00 
2.34  2.593432007e+00 
2.36  1.855683272e+00 
2.38  1.178645816e+00 
2.40  5.677379638e-01 
2.42  2.413798109e-02 
2.44 -4.540655931e-01 
2.46 -8.708401106e-01 
2.48 -1.231571902e+00 
2.50 -1.542488280e+00 
2.52 -1.810198995e+00 
2.54 -2.041332779e+00 
2.56 -2.242344530e+00 
2.58 -2.419406318e+00 
2.60 -2.578282772e+00 
2.62 -2.724211640e+00 
2.64 -2.861274572e+00 
2.66 -2.991586458e+00 
2.68 -3.115585281e+00 
2.70 -3.232477548e+00 
2.72 -3.339771095e+00 
2.74 -3.435596468e+00 
2.76 -3.519847990e+00 
2.78 -3.592873069e+00 
2.80 -3.655364946e+00 
2.82 -3.708173826e+00 
2.84 -3.752007239e+00 
2.86 -3.787421553e+00 
2.88 -3.814870605e+00 
2.90 -3.834731644e+00 
2.92 -3.847322578e+00 
2.94 -3.852979476e+00 
2.96 -3.852173465e+00 
2.98 -3.845459698e+00 
3.00 -3.833376346e+00 
3.02 -3.816438640e+00 
3.04 -3.795142198e+00 
3.06 -3.769966343e+00 
3.08 -3.741377105e+00 
3.10 -3.709827835e+00 
3.12 -3.675755935e+00 
3.14 -3.639583998e+00 
3.16 -3.601721588e+00 
3.18 -3.562565158e+00 
3.20 -3.522495985e+00 
3.22 -3.481875991e+00 
3.24 -3.441041321e+00 
3.26 -3.400293599e+00 
3.28 -3.359894453e+00 
3.30 -3.320073960e+00 
3.32 -3.281033972e+00 
3.34 -3.242947458e+00 
3.36 -3.205958146e+00 
3.38 -3.170180680e+00 
3.40 -3.135701411e+00 
3.42 -3.102579364e+00 
3.44 -3.070845431e+00 
3.46 -3.040503536e+00 
3.48 -3.011534032e+00 
3.50 -2.983891343e+00 
3.52 -2.957496276e+00 
3.54 -2.932236498e+00 
3.56 -2.907969523e+00 
3.58 -2.884526723e+00 
3.60 -2.861718455e+00 
3.62 -2.839340362e+00 
3.64 -2.817180967e+00 
3.66 -2.795030606e+00 
3.68 -2.772691761e+00 
3.70 -2.749990927e+00 
3.72 -2.726790821e+00 
3.74 -2.702990589e+00 
3.76 -2.678523015e+00 
3.78 -2.653360757e+00 
3.80 -2.627502568e+00 
3.82 -2.600954336e+00 
3.84 -2.573727666e+00 
3.86 -2.545840073e+00 
3.88 -2.517314769e+00 
3.90 -2.488179996e+00 
3.92 -2.458467820e+00 
3.94 -2.428212298e+00 
3.96 -2.397446950e+00 
3.98 -2.366201432e+00 
4.00 -2.334497963e+00 
4.02 -2.302354483e+00 
4.04 -2.269791464e+00 
4.06 -2.236833943e+00 
4.08 -2.203513151e+00 
4.10 -2.169868365e+00 
4.12 -2.135949018e+00 
4.14 -2.101817080e+00 
4.16 -2.067549723e+00 
4.18 -2.033239973e+00 
4.20 -1.998982817e+00 
4.22 -1.964864782e+00 
4.24 -1.930964110e+00 
4.26 -1.897351479e+00 
4.28 -1.864090627e+00 
4.30 -1.831238872e+00 
4.32 -1.798847560e+00 
4.34 -1.766962421e+00 
4.36 -1.735623866e+00 
4.38 -1.704867221e+00 
4.40 -1.674722903e+00 
4.42 -1.645216563e+00 
4.44 -1.616369173e+00 
4.46 -1.588197115e+00 
4.48 -1.560712211e+00 
4.50 -1.533921784e+00 
4.52 -1.507828673e+00 
4.54 -1.482431283e+00 
4.56 -1.457723641e+00 
4.58 -1.433695455e+00 
4.60 -1.410332222e+00 
4.62 -1.387615363e+00 
4.64 -1.365522402e+00 
4.66 -1.344027203e+00 
4.68 -1.323100254e+00 
4.70 -1.302709032e+00 
4.72 -1.282818439e+00 
4.74 -1.263391321e+00 
4.76 -1.244389079e+00 
4.78 -1.225772382e+00 
4.80 -1.207501979e+00 
4.82 -1.189539631e+00 
4.84 -1.171849168e+00 
4.86 -1.154397675e+00 
4.88 -1.137156811e+00 
4.90 -1.120104198e+00 
4.92 -1.103224435e+00 
4.94 -1.086505829e+00 
4.96 -1.069936718e+00 
4.98 -1.053504917e+00 
5.00 -1.037197933e+00 
5.02 -1.021003249e+00 
5.04 -1.004907717e+00 
5.06 -9.888985380e-01 
5.08 -9.729624717e-01 
5.10 -9.570865512e-01 
5.12 -9.412578910e-01 
5.14 -9.254638194e-01 
5.16 -9.096919650e-01 
5.18 -8.939308616e-01 
5.20 -8.781684296e-01 
5.22 -8.623957345e-01 
5.24 -8.466009368e-01 
5.26 -8.307771110e-01 
5.28 -8.149162426e-01 
5.30 -7.990095830e-01 
5.32 -7.830560052e-01 
5.34 -7.670489992e-01 
5.36 -7.509825330e-01 
5.38 -7.348621532e-01 
5.40 -7.186915476e-01 
5.42 -7.024525610e-01 
5.44 -6.861611321e-01 
5.46 -6.698378958e-01 
5.48 -6.534701644e-01 
5.50 -6.368374205e-01 
5.52 -6.201281289e-01 
5.54 -6.035624571e-01 
5.56 -5.873023217e-01 
5.58 -5.714747990e-01 
5.60 -5.563397539e-01 
5.62 -5.415409198e-01 
5.64 -5.265585833e-01 
5.66 -5.109834257e-01 
5.68 -4.945148706e-01 
5.70 -4.772545759e-01 
5.72 -4.593456471e-01 
5.74 -4.409509344e-01 
5.76 -4.222570134e-01 
5.78 -4.032057055e-01 
5.80 -3.837712447e-01 
5.82 -3.640041235e-01 
5.84 -3.440062481e-01 
5.86 -3.239110471e-01 
5.88 -3.038341126e-01 
5.90 -2.840651274e-01 
5.92 -2.649509593e-01 
5.94 -2.467166909e-01 
5.96 -2.294951678e-01 
5.98 -2.133511939e-01 
6.00 -1.983005927e-01