# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2018--Farkas-D-Caro-A--Fe-Ni-Cr-Co-Cu
# implementation = 2018--Farkas-D--Fe-Ni-Cr-Co-Cu--LAMMPS--ipr1
# composition = CrFe2
# 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 -6.541376665e+02 
0.94 -6.093840810e+02 
0.96 -5.700460090e+02 
0.98 -5.336703459e+02 
1.00 -4.990975071e+02 
1.02 -4.660169841e+02 
1.04 -4.356486709e+02 
1.06 -4.079304038e+02 
1.08 -3.822382256e+02 
1.10 -3.583273632e+02 
1.12 -3.363183386e+02 
1.14 -3.164422672e+02 
1.16 -2.984425393e+02 
1.18 -2.816789601e+02 
1.20 -2.653531469e+02 
1.22 -2.491560013e+02 
1.24 -2.334012031e+02 
1.26 -2.188519708e+02 
1.28 -2.053731720e+02 
1.30 -1.931787306e+02 
1.32 -1.819127485e+02 
1.34 -1.713557091e+02 
1.36 -1.611237124e+02 
1.38 -1.510518792e+02 
1.40 -1.408663585e+02 
1.42 -1.308885569e+02 
1.44 -1.212312665e+02 
1.46 -1.117429134e+02 
1.48 -1.025652314e+02 
1.50 -9.361341625e+01 
1.52 -8.488481212e+01 
1.54 -7.644902547e+01 
1.56 -6.843443371e+01 
1.58 -6.095011455e+01 
1.60 -5.418715986e+01 
1.62 -4.810443175e+01 
1.64 -4.254611482e+01 
1.66 -3.728013559e+01 
1.68 -3.240137868e+01 
1.70 -2.780636825e+01 
1.72 -2.342148783e+01 
1.74 -1.907184576e+01 
1.76 -1.486480312e+01 
1.78 -1.108378447e+01 
1.80 -7.831446230e+00 
1.82 -5.369717393e+00 
1.84 -3.562981231e+00 
1.86 -2.294551250e+00 
1.88 -1.458369338e+00 
1.90 -9.667346152e-01 
1.92 -7.324974562e-01 
1.94 -6.727941656e-01 
1.96 -7.174691551e-01 
1.98 -8.155875660e-01 
2.00 -9.485456712e-01 
2.02 -1.135275211e+00 
2.04 -1.384849689e+00 
2.06 -1.670156940e+00 
2.08 -1.958719889e+00 
2.10 -2.223413091e+00 
2.12 -2.449508484e+00 
2.14 -2.650446525e+00 
2.16 -2.819311181e+00 
2.18 -2.965258210e+00 
2.20 -3.089939716e+00 
2.22 -3.194382307e+00 
2.24 -3.280699652e+00 
2.26 -3.350682810e+00 
2.28 -3.405523599e+00 
2.30 -3.445944996e+00 
2.32 -3.472332788e+00 
2.34 -3.496328404e+00 
2.36 -3.504387848e+00 
2.38 -3.502777703e+00 
2.40 -3.494674788e+00 
2.42 -3.478519826e+00 
2.44 -3.456815795e+00 
2.46 -3.430955872e+00 
2.48 -3.402304180e+00 
2.50 -3.372216131e+00 
2.52 -3.341685491e+00 
2.54 -3.311310154e+00 
2.56 -3.281683205e+00 
2.58 -3.253391006e+00 
2.60 -3.228567144e+00 
2.62 -3.205962456e+00 
2.64 -3.186638870e+00 
2.66 -3.170635466e+00 
2.68 -3.157508544e+00 
2.70 -3.146419162e+00 
2.72 -3.136360048e+00 
2.74 -3.125395018e+00 
2.76 -3.110817476e+00 
2.78 -3.091008726e+00 
2.80 -3.064716012e+00 
2.82 -3.030663470e+00 
2.84 -2.987174522e+00 
2.86 -2.931960503e+00 
2.88 -2.862092989e+00 
2.90 -2.774155409e+00 
2.92 -2.664504777e+00 
2.94 -2.529667049e+00 
2.96 -2.366501956e+00 
2.98 -2.172190882e+00 
3.00 -1.941803356e+00 
3.02 -1.669789492e+00 
3.04 -1.358027189e+00 
3.06 -1.006494080e+00 
3.08 -6.235846316e-01 
3.10 -2.182334370e-01 
3.12  2.001935053e-01 
3.14  6.244399377e-01 
3.16  1.040414111e+00 
3.18  1.438420323e+00 
3.20  1.807223108e+00 
3.22  2.135335600e+00 
3.24  2.411973837e+00 
3.26  2.628793518e+00 
3.28  2.781600827e+00 
3.30  2.871736073e+00 
3.32  2.906405188e+00 
3.34  2.897469169e+00 
3.36  2.858854274e+00 
3.38  2.803550435e+00 
3.40  2.741471515e+00 
3.42  2.678752159e+00 
3.44  2.618209865e+00 
3.46  2.560496172e+00 
3.48  2.505290847e+00 
3.50  2.452180359e+00 
3.52  2.401141735e+00 
3.54  2.352689376e+00 
3.56  2.307772754e+00 
3.58  2.267518213e+00 
3.60  2.233006138e+00 
3.62  2.205217081e+00 
3.64  2.185024707e+00 
3.66  2.173207769e+00 
3.68  2.135445796e+00 
3.70  2.122358114e+00 
3.72  2.112936419e+00 
3.74  2.106706666e+00 
3.76  2.103144159e+00 
3.78  2.101686269e+00 
3.80  2.101741450e+00 
3.82  2.102697621e+00 
3.84  2.103929551e+00 
3.86  2.104825369e+00 
3.88  2.104975710e+00 
3.90  2.104073828e+00 
3.92  2.101808908e+00 
3.94  2.097962720e+00 
3.96  2.092486931e+00 
3.98  2.085345847e+00 
4.00  2.076496875e+00 
4.02  2.065890352e+00 
4.04  2.053468079e+00 
4.06  2.039162931e+00 
4.08  2.022896660e+00 
4.10  2.004579845e+00 
4.12  1.984109191e+00 
4.14  1.961347969e+00 
4.16  1.936112855e+00 
4.18  1.908198954e+00 
4.20  1.877379489e+00 
4.22  1.843397426e+00 
4.24  1.805967612e+00 
4.26  1.764778397e+00 
4.28  1.719490228e+00 
4.30  1.669732930e+00 
4.32  1.615107408e+00 
4.34  1.555185087e+00 
4.36  1.489512037e+00 
4.38  1.417615627e+00 
4.40  1.339014343e+00 
4.42  1.253235398e+00 
4.44  1.159838274e+00 
4.46  1.058451309e+00 
4.48  9.488136831e-01 
4.50  8.308385121e-01 
4.52  7.047037609e-01 
4.54  5.711103360e-01 
4.56  4.312230074e-01 
4.58  2.866929506e-01 
4.60  1.397147659e-01 
4.62 -7.043946868e-03 
4.64 -1.453286764e-01 
4.66 -2.566981273e-01 
4.68 -3.294468614e-01 
4.70 -3.615636686e-01 
4.72 -3.593758328e-01 
4.74 -3.344057644e-01 
4.76 -2.995518101e-01 
4.78 -2.658283987e-01 
4.80 -2.404838123e-01 
4.82 -2.266537326e-01 
4.84 -2.241811510e-01 
4.86 -2.309117149e-01 
4.88 -2.439290095e-01 
4.90 -2.604282233e-01 
4.92 -2.781674249e-01 
4.94 -2.955921501e-01 
4.96 -3.117537845e-01 
4.98 -3.261479252e-01 
5.00 -3.385367323e-01 
5.02 -3.487999437e-01 
5.04 -3.568300496e-01 
5.06 -3.624703777e-01 
5.08 -3.655011993e-01 
5.10 -3.656433394e-01 
5.12 -3.625654196e-01 
5.14 -3.558948441e-01 
5.16 -3.452326580e-01 
5.18 -3.301736214e-01 
5.20 -3.251855483e-01 
5.22 -3.092427611e-01 
5.24 -2.911517297e-01 
5.26 -2.712026981e-01 
5.28 -2.497387047e-01 
5.30 -2.271543706e-01 
5.32 -2.038906277e-01 
5.34 -1.804211515e-01 
5.36 -1.572336999e-01 
5.38 -1.348067390e-01 
5.40 -1.135826445e-01 
5.42 -9.394060433e-02 
5.44 -7.617636416e-02 
5.46 -6.048655884e-02 
5.48 -4.696283206e-02 
5.50 -3.559666326e-02 
5.52 -2.629145911e-02 
5.54 -1.887962364e-02 
5.56 -1.314443006e-02 
5.58 -8.840988767e-03 
5.60 -5.718865413e-03 
5.62 -3.536663735e-03 
5.64 -2.075171566e-03 
5.66 -1.143366280e-03 
5.68 -5.829367149e-04 
5.70 -2.696093918e-04 
5.72 -1.097484889e-04 
5.74 -3.714801140e-05 
5.76 -9.342589142e-06 
5.78 -1.126667934e-06 
5.80 -4.819261370e-09 
5.82  3.964508101e-07 
5.84  3.976105187e-06 
5.86  1.521876794e-05 
5.88  3.778237749e-05 
5.90  7.614945235e-05 
5.92  1.339701576e-04 
5.94  2.157299362e-04 
5.96  3.256309568e-04 
5.98  4.673446450e-04 
6.00  3.052135385e-04