# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2021--Starikov-S-Smirnova-D-Pradhan-T-et-al--Fe
# implementation = 2021--Starikov-S--Fe--LAMMPS--ipr1
# composition = Fe2nmFe
# 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  1.984262959e+03 
0.98  1.983951608e+03 
1.00  1.983677281e+03 
1.02  1.983400898e+03 
1.04  1.983128155e+03 
1.06  1.982909512e+03 
1.08  1.982767905e+03 
1.10  1.982677392e+03 
1.12  1.982560166e+03 
1.14  1.982409608e+03 
1.16  1.982251452e+03 
1.18  1.982106304e+03 
1.20  1.981967980e+03 
1.22  1.981812451e+03 
1.24  1.981623650e+03 
1.26  1.981393763e+03 
1.28  1.981139280e+03 
1.30  1.980881371e+03 
1.32  1.980649545e+03 
1.34  1.980457507e+03 
1.36  1.980298124e+03 
1.38  1.980157924e+03 
1.40  1.980028400e+03 
1.42  1.979917406e+03 
1.44  1.979833526e+03 
1.46  1.979780093e+03 
1.48  1.979753907e+03 
1.50  1.979751205e+03 
1.52  1.952869028e+03 
1.54  1.886408659e+03 
1.56  1.624210856e+03 
1.58  1.319902794e+03 
1.60  1.040069171e+03 
1.62  8.072605566e+02 
1.64  6.311009178e+02 
1.66  4.929893006e+02 
1.68  3.737213029e+02 
1.70  2.649291876e+02 
1.72  1.709079733e+02 
1.74  9.688097908e+01 
1.76  4.672841147e+01 
1.78  1.930017714e+01 
1.80  7.734733749e+00 
1.82  3.528375231e+00 
1.84  1.554969074e+00 
1.86  1.902563107e-01 
1.88 -8.529385726e-01 
1.90 -1.646796607e+00 
1.92 -2.231301363e+00 
1.94 -2.629436686e+00 
1.96 -2.878539394e+00 
1.98 -3.024905433e+00 
2.00 -3.108745711e+00 
2.02 -3.171985763e+00 
2.04 -3.256450827e+00 
2.06 -3.356524654e+00 
2.08 -3.462095720e+00 
2.10 -3.548608734e+00 
2.12 -3.614893747e+00 
2.14 -3.674653715e+00 
2.16 -3.730833735e+00 
2.18 -3.776802712e+00 
2.20 -3.808532645e+00 
2.22 -3.829098416e+00 
2.24 -3.840124559e+00 
2.26 -3.841628530e+00 
2.28 -3.833595159e+00 
2.30 -3.817349324e+00 
2.32 -3.796433805e+00 
2.34 -3.773292790e+00 
2.36 -3.747031030e+00 
2.38 -3.718979522e+00 
2.40 -3.688676740e+00 
2.42 -3.653727633e+00 
2.44 -3.619395906e+00 
2.46 -3.593634754e+00 
2.48 -3.576310532e+00 
2.50 -3.559649310e+00 
2.52 -3.542439182e+00 
2.54 -3.523502178e+00 
2.56 -3.501625095e+00 
2.58 -3.475982491e+00 
2.60 -3.445252784e+00 
2.62 -3.408491078e+00 
2.64 -3.364863300e+00 
2.66 -3.311725585e+00 
2.68 -3.244821499e+00 
2.70 -3.159759512e+00 
2.72 -3.053605648e+00 
2.74 -2.921640990e+00 
2.76 -2.759918917e+00 
2.78 -2.566586079e+00 
2.80 -2.454100384e+00 
2.82 -2.347319141e+00 
2.84 -2.242136802e+00 
2.86 -2.141866999e+00 
2.88 -2.048424330e+00 
2.90 -1.961417144e+00 
2.92 -1.878338058e+00 
2.94 -1.794941105e+00 
2.96 -1.706116256e+00 
2.98 -1.597970688e+00 
3.00 -1.462194605e+00 
3.02 -1.323108608e+00 
3.04 -1.185924019e+00 
3.06 -1.054505737e+00 
3.08 -9.378028512e-01 
3.10 -8.434014252e-01 
3.12 -7.727699779e-01 
3.14 -7.196653627e-01 
3.16 -6.799260540e-01 
3.18 -6.478039215e-01 
3.20 -6.183693296e-01 
3.22 -5.854434959e-01 
3.24 -5.436553264e-01 
3.26 -5.037985528e-01 
3.28 -4.719248402e-01 
3.30 -4.480504533e-01 
3.32 -4.324701791e-01 
3.34 -4.250983744e-01 
3.36 -4.259615704e-01 
3.38 -4.348911959e-01 
3.40 -4.516114751e-01 
3.42 -4.760325424e-01 
3.44 -5.070186515e-01 
3.46 -5.424137964e-01 
3.48 -5.800638106e-01 
3.50 -6.179830958e-01 
3.52 -6.542499256e-01 
3.54 -6.868821282e-01 
3.56 -7.131469570e-01 
3.58 -7.301585827e-01 
3.60 -7.362462391e-01 
3.62 -7.309240321e-01 
3.64 -7.176976784e-01 
3.66 -7.003911483e-01 
3.68 -6.812005808e-01 
3.70 -6.603818581e-01 
3.72 -6.387212800e-01 
3.74 -6.168898223e-01 
3.76 -5.975236921e-01 
3.78 -5.832149068e-01 
3.80 -5.768935548e-01 
3.82 -5.721627512e-01 
3.84 -5.667560809e-01 
3.86 -5.613773138e-01 
3.88 -5.567943545e-01 
3.90 -5.538002168e-01 
3.92 -5.530028436e-01 
3.94 -5.552856609e-01 
3.96 -5.613149335e-01 
3.98 -5.717854855e-01 
4.00 -5.871473634e-01 
4.02 -6.067365357e-01 
4.04 -6.305454138e-01 
4.06 -6.574393736e-01 
4.08 -6.868920285e-01 
4.10 -7.179042613e-01 
4.12 -7.498046417e-01 
4.14 -7.817419365e-01 
4.16 -8.129178081e-01 
4.18 -8.426071004e-01 
4.20 -8.698992483e-01 
4.22 -8.941704185e-01 
4.24 -9.145104450e-01 
4.26 -9.307813818e-01 
4.28 -9.423579058e-01 
4.30 -9.491828597e-01 
4.32 -9.509619920e-01 
4.34 -9.481971186e-01 
4.36 -9.408187330e-01 
4.38 -9.292359810e-01 
4.40 -9.134525722e-01 
4.42 -8.939433034e-01 
4.44 -8.706501126e-01 
4.46 -8.440214689e-01 
4.48 -8.141851233e-01 
4.50 -7.816567248e-01 
4.52 -7.472129519e-01 
4.54 -7.113080529e-01 
4.56 -6.747804195e-01 
4.58 -6.380885745e-01 
4.60 -6.018215787e-01 
4.62 -5.664518203e-01 
4.64 -5.324258098e-01 
4.66 -5.003351420e-01 
4.68 -4.704868592e-01 
4.70 -4.435397737e-01 
4.72 -4.197032070e-01 
4.74 -3.993852503e-01 
4.76 -3.821436819e-01 
4.78 -3.680117561e-01 
4.80 -3.565948792e-01 
4.82 -3.478676098e-01 
4.84 -3.414616133e-01 
4.86 -3.370545311e-01 
4.88 -3.339778503e-01 
4.90 -3.316944100e-01 
4.92 -3.296370473e-01 
4.94 -3.272463507e-01 
4.96 -3.240211921e-01 
4.98 -3.194454203e-01 
5.00 -3.133168976e-01 
5.02 -3.054369789e-01 
5.04 -2.955699054e-01 
5.06 -2.835747093e-01 
5.08 -2.691943549e-01 
5.10 -2.522878201e-01 
5.12 -2.328193367e-01 
5.14 -2.113039745e-01 
5.16 -1.882547178e-01 
5.18 -1.641893746e-01 
5.20 -1.396271466e-01 
5.22 -1.150633979e-01 
5.24 -9.103504270e-02 
5.26 -6.801535383e-02 
5.28 -4.655286497e-02 
5.30 -2.710341773e-02 
5.32 -1.023329325e-02 
5.34  3.624820398e-03 
5.36  1.388364135e-02 
5.38  2.094322673e-02 
5.40  2.691498790e-02 
5.42  3.200163377e-02 
5.44  3.601916238e-02 
5.46  3.901971172e-02 
5.48  4.090229812e-02 
5.50  4.192686085e-02 
5.52  4.220532339e-02 
5.54  4.190925632e-02 
5.56  4.123274653e-02 
5.58  4.030764813e-02 
5.60  3.932798918e-02 
5.62  3.846218385e-02 
5.64  3.785522075e-02 
5.66  3.772262962e-02 
5.68  3.816086481e-02 
5.70  3.944340594e-02 
5.72  4.156533906e-02 
5.74  4.448402156e-02 
5.76  4.789376722e-02 
5.78  5.164361823e-02 
5.80  5.549083288e-02 
5.82  5.922890175e-02 
5.84  6.266739146e-02 
5.86  6.554396516e-02 
5.88  6.772568044e-02 
5.90  6.889540419e-02 
5.92  6.895123466e-02 
5.94  6.752655606e-02 
5.96  6.458968849e-02 
5.98  6.005149149e-02 
6.00  5.438929131e-02