# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2010--Lee-E-Lee-B-J--Fe-Al
# implementation = 2010--Lee-E--Fe-Al--LAMMPS--ipr1
# composition = AlFe2
# 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  3.127594323e+02 
0.80  2.922668366e+02 
0.82  2.730354893e+02 
0.84  2.549900579e+02 
0.86  2.380596296e+02 
0.88  2.221774558e+02 
0.90  2.072807103e+02 
0.92  1.933102614e+02 
0.94  1.802104578e+02 
0.96  1.679289261e+02 
0.98  1.564163803e+02 
1.00  1.456264422e+02 
1.02  1.355154720e+02 
1.04  1.260424088e+02 
1.06  1.171686208e+02 
1.08  1.088577629e+02 
1.10  1.010756439e+02 
1.12  9.379010051e+01 
1.14  8.697087900e+01 
1.16  8.058952347e+01 
1.18  7.461927086e+01 
1.20  6.903495178e+01 
1.22  6.381289726e+01 
1.24  5.893085078e+01 
1.26  5.436788549e+01 
1.28  5.010432617e+01 
1.30  4.612167570e+01 
1.32  4.240254588e+01 
1.34  3.893059218e+01 
1.36  3.569045231e+01 
1.38  3.266768835e+01 
1.40  2.984873229e+01 
1.42  2.722083463e+01 
1.44  2.477201612e+01 
1.46  2.249102215e+01 
1.48  2.036727991e+01 
1.50  1.839085800e+01 
1.52  1.655242842e+01 
1.54  1.484323073e+01 
1.56  1.325503835e+01 
1.58  1.178012683e+01 
1.60  1.041124390e+01 
1.62  9.141581404e+00 
1.64  7.964748740e+00 
1.66  6.874747950e+00 
1.68  5.865950226e+00 
1.70  4.933073806e+00 
1.72  4.071163179e+00 
1.74  3.275569486e+00 
1.76  2.541932107e+00 
1.78  1.866161296e+00 
1.80  1.244421878e+00 
1.82  6.731178696e-01 
1.84  1.488780411e-01 
1.86 -3.314576949e-01 
1.88 -7.708510704e-01 
1.90 -1.172077502e+00 
1.92 -1.537737414e+00 
1.94 -1.870266889e+00 
1.96 -2.171953489e+00 
1.98 -2.445339632e+00 
2.00 -2.692852600e+00 
2.02 -2.914206501e+00 
2.04 -3.112477166e+00 
2.06 -3.289305245e+00 
2.08 -3.446225817e+00 
2.10 -3.584674900e+00 
2.12 -3.705995574e+00 
2.14 -3.811443729e+00 
2.16 -3.902193470e+00 
2.18 -3.979342203e+00 
2.20 -4.043915402e+00 
2.22 -4.096871099e+00 
2.24 -4.139104093e+00 
2.26 -4.171449914e+00 
2.28 -4.194688538e+00 
2.30 -4.209547878e+00 
2.32 -4.216707067e+00 
2.34 -4.216799534e+00 
2.36 -4.210415899e+00 
2.38 -4.198106682e+00 
2.40 -4.180374020e+00 
2.42 -4.157180479e+00 
2.44 -4.127647572e+00 
2.46 -4.095571217e+00 
2.48 -4.060733111e+00 
2.50 -4.022563428e+00 
2.52 -3.981395063e+00 
2.54 -3.937537318e+00 
2.56 -3.891277437e+00 
2.58 -3.842882033e+00 
2.60 -3.792598436e+00 
2.62 -3.740655956e+00 
2.64 -3.687267056e+00 
2.66 -3.632628470e+00 
2.68 -3.576922229e+00 
2.70 -3.520316644e+00 
2.72 -3.462967210e+00 
2.74 -3.405017461e+00 
2.76 -3.346599770e+00 
2.78 -3.287836097e+00 
2.80 -3.228838687e+00 
2.82 -3.169710731e+00 
2.84 -3.110546976e+00 
2.86 -3.051434298e+00 
2.88 -2.992452246e+00 
2.90 -2.933673538e+00 
2.92 -2.875164536e+00 
2.94 -2.816985684e+00 
2.96 -2.759191920e+00 
2.98 -2.701833059e+00 
3.00 -2.644954155e+00 
3.02 -2.588595837e+00 
3.04 -2.532794620e+00 
3.06 -2.477583202e+00 
3.08 -2.422990735e+00 
3.10 -2.369043081e+00 
3.12 -2.315763055e+00 
3.14 -2.263170644e+00 
3.16 -2.211283215e+00 
3.18 -2.160115712e+00 
3.20 -2.109680835e+00 
3.22 -2.059989211e+00 
3.24 -2.011049551e+00 
3.26 -1.962868795e+00 
3.28 -1.915452254e+00 
3.30 -1.868803732e+00 
3.32 -1.822925651e+00 
3.34 -1.777819156e+00 
3.36 -1.733484224e+00 
3.38 -1.689919253e+00 
3.40 -1.643895138e+00 
3.42 -1.565696934e+00 
3.44 -1.399903097e+00 
3.46 -1.184165618e+00 
3.48 -1.141852440e+00 
3.50 -1.111470554e+00 
3.52 -1.081667144e+00 
3.54 -1.052436171e+00 
3.56 -1.023771235e+00 
3.58 -9.956656124e-01 
3.60 -9.681122961e-01 
3.62 -9.411040278e-01 
3.64 -9.146333311e-01 
3.66 -8.886925421e-01 
3.68 -8.632738374e-01 
3.70 -8.383692609e-01 
3.72 -8.139707484e-01 
3.74 -7.900701508e-01 
3.76 -7.666592560e-01 
3.78 -7.437298090e-01 
3.80 -7.212735313e-01 
3.82 -6.992821383e-01 
3.84 -6.777473569e-01 
3.86 -6.566609402e-01 
3.88 -6.360146834e-01 
3.90 -6.158004371e-01 
3.92 -5.944394392e-01 
3.94 -5.524770655e-01 
3.96 -4.430404723e-01 
3.98 -2.225566019e-01 
4.00 -1.014274587e-22 
4.02  0.000000000e+00 
4.04  0.000000000e+00 
4.06  0.000000000e+00 
4.08  0.000000000e+00 
4.10  0.000000000e+00 
4.12  0.000000000e+00 
4.14  0.000000000e+00 
4.16  0.000000000e+00 
4.18  0.000000000e+00 
4.20  0.000000000e+00 
4.22  0.000000000e+00 
4.24  0.000000000e+00 
4.26  0.000000000e+00 
4.28  0.000000000e+00 
4.30  0.000000000e+00 
4.32  0.000000000e+00 
4.34  0.000000000e+00 
4.36  0.000000000e+00 
4.38  0.000000000e+00 
4.40  0.000000000e+00 
4.42  0.000000000e+00 
4.44  0.000000000e+00 
4.46  0.000000000e+00 
4.48  0.000000000e+00 
4.50  0.000000000e+00 
4.52  0.000000000e+00 
4.54  0.000000000e+00 
4.56  0.000000000e+00 
4.58  0.000000000e+00 
4.60  0.000000000e+00 
4.62  0.000000000e+00 
4.64  0.000000000e+00 
4.66  0.000000000e+00 
4.68  0.000000000e+00 
4.70  0.000000000e+00 
4.72  0.000000000e+00 
4.74  0.000000000e+00 
4.76  0.000000000e+00 
4.78  0.000000000e+00 
4.80  0.000000000e+00 
4.82  0.000000000e+00 
4.84  0.000000000e+00 
4.86  0.000000000e+00 
4.88  0.000000000e+00 
4.90  0.000000000e+00 
4.92  0.000000000e+00 
4.94  0.000000000e+00 
4.96  0.000000000e+00 
4.98  0.000000000e+00 
5.00  0.000000000e+00 
5.02  0.000000000e+00 
5.04  0.000000000e+00 
5.06  0.000000000e+00 
5.08  0.000000000e+00 
5.10  0.000000000e+00 
5.12  0.000000000e+00 
5.14  0.000000000e+00 
5.16  0.000000000e+00 
5.18  0.000000000e+00 
5.20  0.000000000e+00 
5.22  0.000000000e+00 
5.24  0.000000000e+00 
5.26  0.000000000e+00 
5.28  0.000000000e+00 
5.30  0.000000000e+00 
5.32  0.000000000e+00 
5.34  0.000000000e+00 
5.36  0.000000000e+00 
5.38  0.000000000e+00 
5.40  0.000000000e+00 
5.42  0.000000000e+00 
5.44  0.000000000e+00 
5.46  0.000000000e+00 
5.48  0.000000000e+00 
5.50  0.000000000e+00 
5.52  0.000000000e+00 
5.54  0.000000000e+00 
5.56  0.000000000e+00 
5.58  0.000000000e+00 
5.60  0.000000000e+00 
5.62  0.000000000e+00 
5.64  0.000000000e+00 
5.66  0.000000000e+00 
5.68  0.000000000e+00 
5.70  0.000000000e+00 
5.72  0.000000000e+00 
5.74  0.000000000e+00 
5.76  0.000000000e+00 
5.78  0.000000000e+00 
5.80  0.000000000e+00 
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