# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2023--Liang-A-Goodelman-D-C-Hodge-A-M-et-al--Fe-Ni-Cr-Co-Ti
# implementation = 2023--Liang-A--Fe-Ni-Cr-Co-Ti--LAMMPS--ipr1
# composition = Cr2Fe
# 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 2024-03-01

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 -5.476355064e+02 
0.92 -5.083460743e+02 
0.94 -4.729576330e+02 
0.96 -4.411363901e+02 
0.98 -4.120602837e+02 
1.00 -3.851577546e+02 
1.02 -3.600628718e+02 
1.04 -3.366171593e+02 
1.06 -3.148174732e+02 
1.08 -2.946697593e+02 
1.10 -2.760848116e+02 
1.12 -2.589412887e+02 
1.14 -2.429335324e+02 
1.16 -2.276177023e+02 
1.18 -2.127834719e+02 
1.20 -1.984691765e+02 
1.22 -1.848745160e+02 
1.24 -1.723347364e+02 
1.26 -1.610464072e+02 
1.28 -1.509157257e+02 
1.30 -1.416764489e+02 
1.32 -1.331387148e+02 
1.34 -1.252139283e+02 
1.36 -1.177981502e+02 
1.38 -1.107321223e+02 
1.40 -1.038692066e+02 
1.42 -9.711100753e+01 
1.44 -9.041311539e+01 
1.46 -8.378175016e+01 
1.48 -7.723600115e+01 
1.50 -7.078553289e+01 
1.52 -6.441273111e+01 
1.54 -5.808014797e+01 
1.56 -5.177799923e+01 
1.58 -4.555740801e+01 
1.60 -3.951668875e+01 
1.62 -3.373650471e+01 
1.64 -2.824765773e+01 
1.66 -2.305262807e+01 
1.68 -1.831036564e+01 
1.70 -1.415444250e+01 
1.72 -1.043361821e+01 
1.74 -7.128270692e+00 
1.76 -4.617261430e+00 
1.78 -2.836557900e+00 
1.80 -1.641710244e+00 
1.82 -8.955215355e-01 
1.84 -4.736100895e-01 
1.86 -2.723402362e-01 
1.88 -2.212797364e-01 
1.90 -2.830118127e-01 
1.92 -4.123409326e-01 
1.94 -5.695045582e-01 
1.96 -7.311497161e-01 
1.98 -8.855169604e-01 
2.00 -1.036934463e+00 
2.02 -1.198871844e+00 
2.04 -1.379657618e+00 
2.06 -1.576640548e+00 
2.08 -1.783388521e+00 
2.10 -1.994192386e+00 
2.12 -2.203090104e+00 
2.14 -2.403294490e+00 
2.16 -2.587993420e+00 
2.18 -2.752955395e+00 
2.20 -2.896391348e+00 
2.22 -3.018264035e+00 
2.24 -3.121069056e+00 
2.26 -3.207599155e+00 
2.28 -3.279926652e+00 
2.30 -3.339476820e+00 
2.32 -3.387369613e+00 
2.34 -3.424625312e+00 
2.36 -3.452190227e+00 
2.38 -3.470891799e+00 
2.40 -3.481417974e+00 
2.42 -3.484447457e+00 
2.44 -3.480761776e+00 
2.46 -3.471190444e+00 
2.48 -3.456585078e+00 
2.50 -3.437810862e+00 
2.52 -3.415370730e+00 
2.54 -3.389354573e+00 
2.56 -3.359833748e+00 
2.58 -3.326923401e+00 
2.60 -3.290911055e+00 
2.62 -3.252147022e+00 
2.64 -3.210997951e+00 
2.66 -3.167843353e+00 
2.68 -3.122949880e+00 
2.70 -3.076202326e+00 
2.72 -3.027182903e+00 
2.74 -2.975384600e+00 
2.76 -2.920286325e+00 
2.78 -2.861589914e+00 
2.80 -2.799439149e+00 
2.82 -2.734461452e+00 
2.84 -2.667775519e+00 
2.86 -2.600807145e+00 
2.88 -2.535070687e+00 
2.90 -2.472028061e+00 
2.92 -2.411872650e+00 
2.94 -2.353291920e+00 
2.96 -2.294337311e+00 
2.98 -2.232768371e+00 
3.00 -2.166222048e+00 
3.02 -2.092263079e+00 
3.04 -2.008360084e+00 
3.06 -1.911812735e+00 
3.08 -1.799675287e+00 
3.10 -1.668776067e+00 
3.12 -1.515861801e+00 
3.14 -1.337705572e+00 
3.16 -1.131388402e+00 
3.18 -8.989942435e-01 
3.20 -7.984964853e-01 
3.22 -7.623090952e-01 
3.24 -7.279005087e-01 
3.26 -6.949437041e-01 
3.28 -6.630681667e-01 
3.30 -6.318900680e-01 
3.32 -6.010565591e-01 
3.34 -5.702952679e-01 
3.36 -5.394715331e-01 
3.38 -5.085974922e-01 
3.40 -4.778020699e-01 
3.42 -4.473078035e-01 
3.44 -4.173561799e-01 
3.46 -3.881611415e-01 
3.48 -3.598861123e-01 
3.50 -3.326366182e-01 
3.52 -3.064650428e-01 
3.54 -2.813826577e-01 
3.56 -2.573737693e-01 
3.58 -2.344064487e-01 
3.60 -2.124393904e-01 
3.62 -1.914295994e-01 
3.64 -1.713374744e-01 
3.66 -1.521494204e-01 
3.68 -1.338609650e-01 
3.70 -1.164674775e-01 
3.72 -9.996414993e-02 
3.74 -8.434624387e-02 
3.76 -6.960914891e-02 
3.78 -5.574864716e-02 
3.80 -4.276103089e-02 
3.82 -3.060310400e-02 
3.84 -1.905776050e-02 
3.86 -7.978687426e-03 
3.88  2.675353212e-03 
3.90  1.286836513e-02 
3.92  2.250917701e-02 
3.94  3.148055436e-02 
3.96  3.966551009e-02 
3.98  4.695669709e-02 
4.00  5.326554535e-02 
4.02  5.852846397e-02 
4.04  6.270977339e-02 
4.06  6.580213721e-02 
4.08  6.782505481e-02 
4.10  6.882181617e-02 
4.12  6.885573921e-02 
4.14  6.801520752e-02 
4.16  6.641503898e-02 
4.18  6.417650619e-02 
4.20  6.141963461e-02 
4.22  5.825177924e-02 
4.24  5.476930727e-02 
4.26  5.105690949e-02 
4.28  4.718484502e-02 
4.30  4.320722355e-02 
4.32  3.916076627e-02 
4.34  3.506435016e-02 
4.36  3.091959271e-02 
4.38  2.671173917e-02 
4.40  2.241170242e-02 
4.42  1.798877497e-02 
4.44  1.346297813e-02 
4.46  8.867433608e-03 
4.48  4.235181389e-03 
4.50 -4.003839719e-04 
4.52 -5.005708494e-03 
4.54 -9.551590479e-03 
4.56 -1.401612912e-02 
4.58 -1.837864179e-02 
4.60 -2.261822162e-02 
4.62 -2.671360018e-02 
4.64 -3.064318174e-02 
4.66 -3.438499550e-02 
4.68 -3.791672212e-02 
4.70 -4.121580688e-02 
4.72 -4.425950836e-02 
4.74 -4.702506806e-02 
4.76 -4.949005432e-02 
4.78 -5.163707403e-02 
4.80 -5.345982599e-02 
4.82 -5.496739638e-02 
4.84 -5.617140408e-02 
4.86 -5.708344208e-02 
4.88 -5.771527335e-02 
4.90 -5.807857689e-02 
4.92 -5.818504246e-02 
4.94 -5.804630188e-02 
4.96 -5.767403191e-02 
4.98 -5.707990923e-02 
5.00 -5.627576635e-02 
5.02 -5.527362522e-02 
5.04 -5.408520314e-02 
5.06 -5.271563107e-02 
5.08 -5.116642331e-02 
5.10 -4.944003440e-02 
5.12 -4.754020564e-02 
5.14 -4.547231722e-02 
5.16 -4.324379144e-02 
5.18 -4.086458711e-02 
5.20 -3.834763196e-02 
5.22 -3.570950785e-02 
5.24 -3.297200320e-02 
5.26 -3.016133886e-02 
5.28 -2.730774004e-02 
5.30 -2.444522291e-02 
5.32 -2.161092321e-02 
5.34 -1.884406540e-02 
5.36 -1.618439692e-02 
5.38 -1.367040664e-02 
5.40 -1.133710281e-02 
5.42 -9.213930693e-03 
5.44 -7.322870190e-03 
5.46 -5.677069152e-03 
5.48 -4.280220273e-03 
5.50 -3.126796735e-03 
5.52 -2.203354837e-03 
5.54 -1.488628201e-03 
5.56 -9.549646516e-04 
5.58 -5.729862403e-04 
5.60 -3.132062190e-04 
5.62 -1.476711815e-04 
5.64 -5.117760908e-05 
5.66 -2.143773012e-06 
5.68  1.686862842e-05 
5.70  1.914787690e-05 
5.72  1.408124709e-05 
5.74  7.600990778e-06 
5.76  2.780132036e-06 
5.78  4.804517337e-07 
5.80 -1.938103448e-09 
5.82  0.000000000e+00 
5.84  0.000000000e+00 
5.86  0.000000000e+00 
5.88  0.000000000e+00 
5.90  0.000000000e+00 
5.92  0.000000000e+00 
5.94  0.000000000e+00 
5.96  0.000000000e+00 
5.98  0.000000000e+00 
6.00  0.000000000e+00