# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr
# implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1
# composition = Al2Ti
# 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 2024-04-11

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  nan             
0.98  nan             
1.00  nan             
1.02  nan             
1.04  nan             
1.06  nan             
1.08  nan             
1.10  nan             
1.12  nan             
1.14  1.505745231e+02 
1.16  1.396529860e+02 
1.18  1.295739245e+02 
1.20  1.202613718e+02 
1.22  1.116458306e+02 
1.24  1.036646473e+02 
1.26  9.626335953e+01 
1.28  8.939533391e+01 
1.30  8.301934974e+01 
1.32  7.709711708e+01 
1.34  7.159243360e+01 
1.36  6.647190876e+01 
1.38  6.170583006e+01 
1.40  5.726800806e+01 
1.42  5.313460668e+01 
1.44  4.928283055e+01 
1.46  4.569041703e+01 
1.48  4.233627022e+01 
1.50  3.920165860e+01 
1.52  3.627093829e+01 
1.54  3.353126804e+01 
1.56  3.097108480e+01 
1.58  2.857940272e+01 
1.60  2.634859670e+01 
1.62  2.427000663e+01 
1.64  2.233262749e+01 
1.66  2.052589759e+01 
1.68  1.883986608e+01 
1.70  1.726539968e+01 
1.72  1.579433289e+01 
1.74  1.441942986e+01 
1.76  1.313417405e+01 
1.78  1.193255432e+01 
1.80  1.080899515e+01 
1.82  9.758420496e+00 
1.84  8.776319279e+00 
1.86  7.858706922e+00 
1.88  7.001976737e+00 
1.90  6.202703632e+00 
1.92  5.457470280e+00 
1.94  4.762775188e+00 
1.96  4.115056110e+00 
1.98  3.510815898e+00 
2.00  2.946786993e+00 
2.02  2.420057077e+00 
2.04  1.928110098e+00 
2.06  1.468784833e+00 
2.08  1.040187210e+00 
2.10  6.405970004e-01 
2.12  2.683926844e-01 
2.14 -7.799804333e-02 
2.16 -4.001188838e-01 
2.18 -6.994769299e-01 
2.20 -9.775135393e-01 
2.22 -1.235570574e+00 
2.24 -1.474867633e+00 
2.26 -1.696498151e+00 
2.28 -1.901441005e+00 
2.30 -2.090577291e+00 
2.32 -2.264702967e+00 
2.34 -2.424533347e+00 
2.36 -2.570705376e+00 
2.38 -2.703785752e+00 
2.40 -2.824326833e+00 
2.42 -2.932847592e+00 
2.44 -3.029807078e+00 
2.46 -3.115719861e+00 
2.48 -3.191173376e+00 
2.50 -3.256829676e+00 
2.52 -3.313413766e+00 
2.54 -3.361693759e+00 
2.56 -3.402457434e+00 
2.58 -3.436417204e+00 
2.60 -3.464182907e+00 
2.62 -3.486660061e+00 
2.64 -3.505852384e+00 
2.66 -3.521916525e+00 
2.68 -3.534770051e+00 
2.70 -3.544351595e+00 
2.72 -3.550595476e+00 
2.74 -3.553423456e+00 
2.76 -3.552748088e+00 
2.78 -3.548480855e+00 
2.80 -3.540541753e+00 
2.82 -3.528882548e+00 
2.84 -3.513483856e+00 
2.86 -3.494336411e+00 
2.88 -3.471442564e+00 
2.90 -3.444819972e+00 
2.92 -3.414508612e+00 
2.94 -3.380581958e+00 
2.96 -3.343162018e+00 
2.98 -3.302436294e+00 
3.00 -3.258672883e+00 
3.02 -3.212228532e+00 
3.04 -3.163544439e+00 
3.06 -3.113126913e+00 
3.08 -3.061513854e+00 
3.10 -3.009233212e+00 
3.12 -2.956761948e+00 
3.14 -2.904494563e+00 
3.16 -2.852725562e+00 
3.18 -2.801647950e+00 
3.20 -2.751363665e+00 
3.22 -2.701901399e+00 
3.24 -2.653236742e+00 
3.26 -2.605311010e+00 
3.28 -2.558046725e+00 
3.30 -2.511359198e+00 
3.32 -2.465164541e+00 
3.34 -2.419384924e+00 
3.36 -2.373951921e+00 
3.38 -2.328808700e+00 
3.40 -2.283911561e+00 
3.42 -2.239231254e+00 
3.44 -2.194753851e+00 
3.46 -2.150481587e+00 
3.48 -2.106433098e+00 
3.50 -2.062642919e+00 
3.52 -2.019159916e+00 
3.54 -1.976044398e+00 
3.56 -1.933363937e+00 
3.58 -1.891188202e+00 
3.60 -1.849583482e+00 
3.62 -1.808607735e+00 
3.64 -1.768306919e+00 
3.66 -1.728713061e+00 
3.68 -1.689844079e+00 
3.70 -1.651704989e+00 
3.72 -1.614289951e+00 
3.74 -1.577584597e+00 
3.76 -1.541568220e+00 
3.78 -1.506215600e+00 
3.80 -1.471498404e+00 
3.82 -1.437386181e+00 
3.84 -1.403847068e+00 
3.86 -1.370848278e+00 
3.88 -1.338356468e+00 
3.90 -1.306338029e+00 
3.92 -1.274759312e+00 
3.94 -1.243586878e+00 
3.96 -1.212787610e+00 
3.98 -1.182328918e+00 
4.00 -1.152178893e+00 
4.02 -1.122306522e+00 
4.04 -1.092681991e+00 
4.06 -1.063277166e+00 
4.08 -1.034066281e+00 
4.10 -1.005026812e+00 
4.12 -9.761411670e-01 
4.14 -9.473975982e-01 
4.16 -9.187924535e-01 
4.18 -8.903319397e-01 
4.20 -8.620339054e-01 
4.22 -8.339292614e-01 
4.24 -8.060627481e-01 
4.26 -7.784927644e-01 
4.28 -7.512900393e-01 
4.30 -7.245350509e-01 
4.32 -6.983142734e-01 
4.34 -6.727155254e-01 
4.36 -6.478228622e-01 
4.38 -6.237115587e-01 
4.40 -6.004437363e-01 
4.42 -5.780650881e-01 
4.44 -5.566029839e-01 
4.46 -5.360660237e-01 
4.48 -5.164449082e-01 
4.50 -4.977143507e-01 
4.52 -4.798356768e-01 
4.54 -4.627597548e-01 
4.56 -4.464299476e-01 
4.58 -4.307848563e-01 
4.60 -4.157607166e-01 
4.62 -4.012933854e-01 
4.64 -3.873199230e-01 
4.66 -3.737798154e-01 
4.68 -3.606159074e-01 
4.70 -3.477751243e-01 
4.72 -3.352090591e-01 
4.74 -3.228744849e-01 
4.76 -3.107338440e-01 
4.78 -2.987557356e-01 
4.80 -2.869153418e-01 
4.82 -2.751951896e-01 
4.84 -2.635851353e-01 
4.86 -2.520829863e-01 
4.88 -2.406945502e-01 
4.90 -2.294335063e-01 
4.92 -2.183209518e-01 
4.94 -2.073845776e-01 
4.96 -1.966574605e-01 
4.98 -1.861765036e-01 
5.00 -1.759806014e-01 
5.02 -1.661086490e-01 
5.04 -1.565975410e-01 
5.06 -1.474803168e-01 
5.08 -1.387845970e-01 
5.10 -1.305314192e-01 
5.12 -1.227345409e-01 
5.14 -1.154002175e-01 
5.16 -1.085274226e-01 
5.18 -1.021084340e-01 
5.20 -9.612969000e-02 
5.22 -9.057280958e-02 
5.24 -8.541567992e-02 
5.26 -8.063352649e-02 
5.28 -7.619990418e-02 
5.30 -7.208756492e-02 
5.32 -6.826918606e-02 
5.34 -6.471795168e-02 
5.36 -6.140798921e-02 
5.38 -5.831441055e-02 
5.40 -5.541412570e-02 
5.42 -5.268579136e-02 
5.44 -5.010960780e-02 
5.46 -4.766737486e-02 
5.48 -4.534250274e-02 
5.50 -4.311999655e-02 
5.52 -4.098642930e-02 
5.54 -3.892991460e-02 
5.56 -3.694008164e-02 
5.58 -3.500806297e-02 
5.60 -3.312649124e-02 
5.62 -3.128950176e-02 
5.64 -2.949273594e-02 
5.66 -2.773333750e-02 
5.68 -2.600993165e-02 
5.70 -2.432257649e-02 
5.72 -2.267267653e-02 
5.74 -2.106285014e-02 
5.76 -1.949674260e-02 
5.78 -1.797857554e-02 
5.80 -1.651327575e-02 
5.82 -1.510614391e-02 
5.84 -1.376237009e-02 
5.86 -1.248672654e-02 
5.88 -1.128329386e-02 
5.90 -1.015523994e-02 
5.92 -9.104665871e-03 
5.94 -8.132525607e-03 
5.96 -7.238618918e-03 
5.98 -6.421650166e-03 
6.00 -5.679340307e-03