# 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 = 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 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 -5.083500381e+02 
0.94 -4.729848424e+02 
0.96 -4.411665954e+02 
0.98 -4.120617983e+02 
1.00 -3.852159395e+02 
1.02 -3.600651105e+02 
1.04 -3.366660944e+02 
1.06 -3.148519349e+02 
1.08 -2.946889767e+02 
1.10 -2.761022499e+02 
1.12 -2.589510286e+02 
1.14 -2.430032960e+02 
1.16 -2.276488583e+02 
1.18 -2.127923118e+02 
1.20 -1.985056926e+02 
1.22 -1.849118089e+02 
1.24 -1.723371574e+02 
1.26 -1.610714254e+02 
1.28 -1.509172039e+02 
1.30 -1.416764021e+02 
1.32 -1.331398491e+02 
1.34 -1.252389941e+02 
1.36 -1.178017205e+02 
1.38 -1.107704195e+02 
1.40 -1.038691914e+02 
1.42 -9.711303855e+01 
1.44 -9.043477859e+01 
1.46 -8.378180620e+01 
1.48 -7.723850091e+01 
1.50 -7.079157713e+01 
1.52 -6.441272210e+01 
1.54 -5.808099555e+01 
1.56 -5.178613758e+01 
1.58 -4.557507564e+01 
1.60 -3.951695982e+01 
1.62 -3.374319555e+01 
1.64 -2.827795433e+01 
1.66 -2.305262719e+01 
1.68 -1.831036974e+01 
1.70 -1.415519044e+01 
1.72 -1.044024195e+01 
1.74 -7.142589188e+00 
1.76 -4.617262013e+00 
1.78 -2.836558325e+00 
1.80 -1.641911802e+00 
1.82 -8.964869910e-01 
1.84 -4.736105862e-01 
1.86 -2.723407683e-01 
1.88 -2.212801041e-01 
1.90 -2.830119388e-01 
1.92 -4.123407871e-01 
1.94 -5.695047248e-01 
1.96 -7.311699071e-01 
1.98 -8.856716127e-01 
2.00 -1.037038598e+00 
2.02 -1.198871844e+00 
2.04 -1.379657684e+00 
2.06 -1.576642679e+00 
2.08 -1.783477384e+00 
2.10 -1.994652296e+00 
2.12 -2.204429257e+00 
2.14 -2.403294516e+00 
2.16 -2.587993442e+00 
2.18 -2.752955237e+00 
2.20 -2.896391331e+00 
2.22 -3.018263981e+00 
2.24 -3.121069068e+00 
2.26 -3.207618551e+00 
2.28 -3.280283712e+00 
2.30 -3.340997777e+00 
2.32 -3.391387941e+00 
2.34 -3.424507282e+00 
2.36 -3.451724382e+00 
2.38 -3.469716096e+00 
2.40 -3.481417909e+00 
2.42 -3.484447438e+00 
2.44 -3.480761732e+00 
2.46 -3.471190455e+00 
2.48 -3.456585022e+00 
2.50 -3.437810742e+00 
2.52 -3.415370836e+00 
2.54 -3.389360390e+00 
2.56 -3.359863707e+00 
2.58 -3.327007745e+00 
2.60 -3.290911064e+00 
2.62 -3.252147003e+00 
2.64 -3.210997923e+00 
2.66 -3.167843334e+00 
2.68 -3.122949820e+00 
2.70 -3.076202323e+00 
2.72 -3.027182915e+00 
2.74 -2.975384630e+00 
2.76 -2.920286250e+00 
2.78 -2.861589919e+00 
2.80 -2.799439084e+00 
2.82 -2.734461430e+00 
2.84 -2.667775565e+00 
2.86 -2.600807075e+00 
2.88 -2.535070705e+00 
2.90 -2.472027989e+00 
2.92 -2.411883059e+00 
2.94 -2.353389144e+00 
2.96 -2.294682363e+00 
2.98 -2.233607391e+00 
3.00 -2.167028136e+00 
3.02 -2.092263059e+00 
3.04 -2.008361044e+00 
3.06 -1.911848083e+00 
3.08 -1.799858484e+00 
3.10 -1.669327824e+00 
3.12 -1.517138632e+00 
3.14 -1.337705498e+00 
3.16 -1.131388468e+00 
3.18 -8.990070052e-01 
3.20 -6.487695290e-01 
3.22 -3.897895239e-01 
3.24 -1.317206151e-01 
3.26  1.158805956e-01 
3.28  3.444041835e-01 
3.30  5.472067271e-01 
3.32  7.204790878e-01 
3.34  8.635831300e-01 
3.36  9.786329347e-01 
3.38  1.069499162e+00 
3.40  1.140632933e+00 
3.42  1.196094540e+00 
3.44  1.239077756e+00 
3.46  1.271830407e+00 
3.48  1.295828857e+00 
3.50  1.312048894e+00 
3.52  1.321223370e+00 
3.54  1.324032921e+00 
3.56  1.321208459e+00 
3.58  1.313546329e+00 
3.60  1.301878914e+00 
3.62  1.287058330e+00 
3.64  1.269941872e+00 
3.66  1.251360080e+00 
3.68  1.221737419e+00 
3.70  1.195652870e+00 
3.72  1.167607910e+00 
3.74  1.137735462e+00 
3.76  1.106107654e+00 
3.78  1.072737850e+00 
3.80  1.037582723e+00 
3.82  1.000584138e+00 
3.84  9.618055685e-01 
3.86  9.212120763e-01 
3.88  8.788354060e-01 
3.90  8.347343057e-01 
3.92  7.889180395e-01 
3.94  7.413748497e-01 
3.96  6.920977088e-01 
3.98  6.410940695e-01 
4.00  5.883942470e-01 
4.02  5.340578000e-01 
4.04  4.781760300e-01 
4.06  4.208729793e-01 
4.08  3.623017817e-01 
4.10  3.026441505e-01 
4.12  2.421036819e-01 
4.14  1.809123273e-01 
4.16  1.193309309e-01 
4.18  5.768438345e-02 
4.20 -6.778429716e-04 
4.22 -5.014043660e-02 
4.24 -8.616043102e-02 
4.26 -1.053092282e-01 
4.28 -1.052091265e-01 
4.30 -8.446449595e-02 
4.32 -4.258875530e-02 
4.34  2.007397427e-02 
4.36  1.024318294e-01 
4.38  2.027281153e-01 
4.40  3.186344216e-01 
4.42  4.473492583e-01 
4.44  5.857429751e-01 
4.46  7.304078390e-01 
4.48  8.777433120e-01 
4.50  1.024039817e+00 
4.52  1.165574568e+00 
4.54  1.298840197e+00 
4.56  1.421129738e+00 
4.58  1.530265662e+00 
4.60  1.624485675e+00 
4.62  1.702440986e+00 
4.64  1.763194122e+00 
4.66  1.806199873e+00 
4.68  1.831282092e+00 
4.70  1.838606751e+00 
4.72  1.828660667e+00 
4.74  1.802200637e+00 
4.76  1.760231270e+00 
4.78  1.703959804e+00 
4.80  1.634757760e+00 
4.82  1.554113287e+00 
4.84  1.463615153e+00 
4.86  1.364921162e+00 
4.88  1.259724518e+00 
4.90  1.149728245e+00 
4.92  1.036620328e+00 
4.94  9.220382992e-01 
4.96  8.075629464e-01 
4.98  6.946896595e-01 
5.00  5.848143171e-01 
5.02  4.792215039e-01 
5.04  3.790676374e-01 
5.06  2.853746087e-01 
5.08  1.990161334e-01 
5.10  1.207131710e-01 
5.12  5.102568554e-02 
5.14 -9.658662582e-03 
5.16 -6.112969466e-02 
5.18 -1.033609777e-01 
5.20 -1.351904990e-01 
5.22 -1.591321711e-01 
5.24 -1.748386347e-01 
5.26 -1.830117235e-01 
5.28 -1.844628165e-01 
5.30 -1.801105134e-01 
5.32 -1.709660748e-01 
5.34 -1.581048302e-01 
5.36 -1.426242080e-01 
5.38 -1.255931919e-01 
5.40 -1.079984941e-01 
5.42 -9.069491454e-02 
5.44 -7.437025235e-02 
5.46 -5.952549506e-02 
5.48 -4.647414035e-02 
5.50 -3.535924764e-02 
5.52 -2.618159484e-02 
5.54 -1.883150104e-02 
5.56 -1.312414170e-02 
5.58 -8.832723547e-03 
5.60 -5.715648003e-03 
5.62 -3.535492516e-03 
5.64 -2.074785686e-03 
5.66 -1.143256841e-03 
5.68 -5.829123071e-04 
5.70 -2.696060158e-04 
5.72 -1.097485644e-04 
5.74 -3.714816417e-05 
5.76 -9.342614695e-06 
5.78 -1.126668771e-06 
5.80 -4.819261370e-09 
5.82  3.964507271e-07 
5.84  3.976094446e-06 
5.86  1.521862156e-05 
5.88  3.778149803e-05 
5.90  7.614610358e-05 
5.92  1.339607234e-04 
5.94  2.157090234e-04 
5.96  3.255942121e-04 
5.98  4.672976994e-04 
6.00  3.051835582e-04