# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2018--Dickel-D-E-Baskes-M-I-Aslam-I-Barrett-C-D--Mg-Al-Zn
# implementation = 2018--Dickel-D-E--Mg-Al-Zn--LAMMPS--ipr1
# composition = Al2Zn
# 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  nan             
0.94  nan             
0.96  nan             
0.98  nan             
1.00  nan             
1.02  nan             
1.04  2.773457531e+02 
1.06  2.576996510e+02 
1.08  2.390787241e+02 
1.10  2.215107456e+02 
1.12  2.050011595e+02 
1.14  1.895384524e+02 
1.16  1.750984345e+02 
1.18  1.616476440e+02 
1.20  1.491460510e+02 
1.22  1.375491981e+02 
1.24  1.268098892e+02 
1.26  1.168795131e+02 
1.28  1.077090732e+02 
1.30  9.924998069e+01 
1.32  9.145465631e+01 
1.34  8.427697861e+01 
1.36  7.767260791e+01 
1.38  7.159921177e+01 
1.40  6.601661028e+01 
1.42  6.088685858e+01 
1.44  5.617427904e+01 
1.46  5.184545579e+01 
1.48  4.786919866e+01 
1.50  4.421648447e+01 
1.52  4.086038124e+01 
1.54  3.777596034e+01 
1.56  3.494020026e+01 
1.58  3.233188511e+01 
1.60  2.993150047e+01 
1.62  2.772112837e+01 
1.64  2.568434322e+01 
1.66  2.380610959e+01 
1.68  2.207268302e+01 
1.70  2.047151434e+01 
1.72  1.899115804e+01 
1.74  1.762118508e+01 
1.76  1.635210027e+01 
1.78  1.517526431e+01 
1.80  1.408282069e+01 
1.82  1.306762696e+01 
1.84  1.212319098e+01 
1.86  1.124361162e+01 
1.88  1.042352409e+01 
1.90  9.658049615e+00 
1.92  8.942749426e+00 
1.94  8.273582957e+00 
1.96  7.646870065e+00 
1.98  7.059253499e+00 
2.00  6.507656556e+00 
2.02  5.989253451e+00 
2.04  5.501448238e+00 
2.06  5.041856350e+00 
2.08  4.608290243e+00 
2.10  4.198747265e+00 
2.12  3.811399068e+00 
2.14  3.444582592e+00 
2.16  3.096792273e+00 
2.18  2.766673030e+00 
2.20  2.453013698e+00 
2.22  2.154740518e+00 
2.24  1.870910381e+00 
2.26  1.600700809e+00 
2.28  1.343393269e+00 
2.30  1.098363030e+00 
2.32  8.650718520e-01 
2.34  6.430597149e-01 
2.36  4.319357292e-01 
2.38  2.313684127e-01 
2.40  4.107562348e-02 
2.42 -1.391855783e-01 
2.44 -3.096288243e-01 
2.46 -4.704478171e-01 
2.48 -6.218249257e-01 
2.50 -7.639333537e-01 
2.52 -8.969289148e-01 
2.54 -1.020974901e+00 
2.56 -1.136251557e+00 
2.58 -1.242958204e+00 
2.60 -1.341314255e+00 
2.62 -1.431559225e+00 
2.64 -1.513951867e+00 
2.66 -1.588768603e+00 
2.68 -1.656301398e+00 
2.70 -1.716855243e+00 
2.72 -1.770745390e+00 
2.74 -1.818294482e+00 
2.76 -1.859829675e+00 
2.78 -1.895679867e+00 
2.80 -1.926173087e+00 
2.82 -1.951634115e+00 
2.84 -1.972382348e+00 
2.86 -1.988730444e+00 
2.88 -2.001075118e+00 
2.90 -2.010001551e+00 
2.92 -2.016071298e+00 
2.94 -2.019788185e+00 
2.96 -2.021602437e+00 
2.98 -2.021925809e+00 
3.00 -2.021132145e+00 
3.02 -2.019463779e+00 
3.04 -2.017230328e+00 
3.06 -2.014668234e+00 
3.08 -2.011981008e+00 
3.10 -2.009342107e+00 
3.12 -2.006897642e+00 
3.14 -2.004768920e+00 
3.16 -2.003054830e+00 
3.18 -2.001834068e+00 
3.20 -2.001167214e+00 
3.22 -2.001098657e+00 
3.24 -2.001658390e+00 
3.26 -2.002863654e+00 
3.28 -2.004720470e+00 
3.30 -2.007225034e+00 
3.32 -2.010365010e+00 
3.34 -2.014120700e+00 
3.36 -2.018466127e+00 
3.38 -2.023370004e+00 
3.40 -2.028796631e+00 
3.42 -2.034706695e+00 
3.44 -2.041057995e+00 
3.46 -2.047806100e+00 
3.48 -2.054904933e+00 
3.50 -2.062307297e+00 
3.52 -2.069965339e+00 
3.54 -2.077830968e+00 
3.56 -2.085856220e+00 
3.58 -2.093993577e+00 
3.60 -2.102196250e+00 
3.62 -2.110418848e+00 
3.64 -2.118705774e+00 
3.66 -2.127425205e+00 
3.68 -2.135920165e+00 
3.70 -2.143759331e+00 
3.72 -2.151410378e+00 
3.74 -2.158836713e+00 
3.76 -2.166003619e+00 
3.78 -2.172878302e+00 
3.80 -2.179429915e+00 
3.82 -2.185629584e+00 
3.84 -2.191450402e+00 
3.86 -2.196867431e+00 
3.88 -2.201857684e+00 
3.90 -2.206400098e+00 
3.92 -2.210475508e+00 
3.94 -2.214066608e+00 
3.96 -2.217157907e+00 
3.98 -2.219735685e+00 
4.00 -2.221787940e+00 
4.02 -2.223304334e+00 
4.04 -2.224276138e+00 
4.06 -2.224696171e+00 
4.08 -2.224558744e+00 
4.10 -2.223859591e+00 
4.12 -2.222595817e+00 
4.14 -2.220765826e+00 
4.16 -2.218369265e+00 
4.18 -2.215406958e+00 
4.20 -2.211880846e+00 
4.22 -2.207793924e+00 
4.24 -2.203150182e+00 
4.26 -2.197954544e+00 
4.28 -2.192212812e+00 
4.30 -2.185931605e+00 
4.32 -2.179118308e+00 
4.34 -2.171781013e+00 
4.36 -2.163928472e+00 
4.38 -2.155570038e+00 
4.40 -2.146715623e+00 
4.42 -2.137375645e+00 
4.44 -2.127560986e+00 
4.46 -2.117282943e+00 
4.48 -2.106553190e+00 
4.50 -2.095383731e+00 
4.52 -2.083786867e+00 
4.54 -2.071775155e+00 
4.56 -2.059361371e+00 
4.58 -2.046558479e+00 
4.60 -2.033379596e+00 
4.62 -2.019837961e+00 
4.64 -2.005946907e+00 
4.66 -1.991719831e+00 
4.68 -1.977170170e+00 
4.70 -1.962311372e+00 
4.72 -1.947156879e+00 
4.74 -1.931720098e+00 
4.76 -1.916014385e+00 
4.78 -1.900053023e+00 
4.80 -1.883849204e+00 
4.82 -1.867416013e+00 
4.84 -1.850766413e+00 
4.86 -1.833913226e+00 
4.88 -1.816869126e+00 
4.90 -1.799646620e+00 
4.92 -1.782258041e+00 
4.94 -1.764715535e+00 
4.96 -1.747031051e+00 
4.98 -1.729216336e+00 
5.00 -1.711282922e+00 
5.02 -1.693242123e+00 
5.04 -1.675105026e+00 
5.06 -1.656882487e+00 
5.08 -1.638585126e+00 
5.10 -1.620223320e+00 
5.12 -1.601818877e+00 
5.14 -1.584175600e+00 
5.16 -1.570585985e+00 
5.18 -1.562919302e+00 
5.20 -1.550580098e+00 
5.22 -1.532074226e+00 
5.24 -1.513554086e+00 
5.26 -1.495028716e+00 
5.28 -1.476506880e+00 
5.30 -1.457997074e+00 
5.32 -1.439507521e+00 
5.34 -1.421046181e+00 
5.36 -1.402620742e+00 
5.38 -1.384238632e+00 
5.40 -1.365907016e+00 
5.42 -1.347632800e+00 
5.44 -1.329422633e+00 
5.46 -1.311282913e+00 
5.48 -1.293219788e+00 
5.50 -1.275239159e+00 
5.52 -1.257346686e+00 
5.54 -1.239547790e+00 
5.56 -1.221847656e+00 
5.58 -1.204251243e+00 
5.60 -1.186763279e+00 
5.62 -1.169388273e+00 
5.64 -1.152130515e+00 
5.66 -1.134994085e+00 
5.68 -1.117982850e+00 
5.70 -1.101100478e+00 
5.72 -1.084350432e+00 
5.74 -1.067735986e+00 
5.76 -1.051260219e+00 
5.78 -1.034926028e+00 
5.80 -1.018736127e+00 
5.82 -1.002693056e+00 
5.84 -9.867991807e-01 
5.86 -9.710567015e-01 
5.88 -9.554676562e-01 
5.90 -9.400339245e-01 
5.92 -9.220912645e-01 
5.94 -8.680870512e-01 
5.96 -6.964451863e-01 
5.98 -3.388103537e-01 
6.00 -2.002075363e-22