# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2024--Starikov-S-Grigorev-P-Olsson-P-A-T--W-Mo-Nb
# implementation = 2024--Starikov-S--W-Mo-Nb--LAMMPS--ipr1
# composition = Mo2W
# 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 2024-01-04

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  3.763211460e+02 
0.98  3.580606688e+02 
1.00  3.407255554e+02 
1.02  3.221148285e+02 
1.04  3.033844355e+02 
1.06  2.856204075e+02 
1.08  2.703331915e+02 
1.10  2.571794982e+02 
1.12  2.456650163e+02 
1.14  2.358201313e+02 
1.16  2.268627077e+02 
1.18  2.183042596e+02 
1.20  2.100344852e+02 
1.22  2.025327121e+02 
1.24  1.959286866e+02 
1.26  1.899149232e+02 
1.28  1.843948187e+02 
1.30  1.793855772e+02 
1.32  1.749937070e+02 
1.34  1.710359102e+02 
1.36  1.671862512e+02 
1.38  1.636653038e+02 
1.40  1.604879800e+02 
1.42  1.574588097e+02 
1.44  1.544650292e+02 
1.46  1.514666956e+02 
1.48  1.486843249e+02 
1.50  1.462026332e+02 
1.52  1.438194991e+02 
1.54  1.415591017e+02 
1.56  1.395428742e+02 
1.58  1.376460677e+02 
1.60  1.358993486e+02 
1.62  1.341999053e+02 
1.64  1.325714233e+02 
1.66  1.310668279e+02 
1.68  1.297149876e+02 
1.70  1.284774008e+02 
1.72  1.273132303e+02 
1.74  1.261885931e+02 
1.76  1.250849390e+02 
1.78  1.240503573e+02 
1.80  1.231399937e+02 
1.82  1.223192026e+02 
1.84  1.215736740e+02 
1.86  1.208801949e+02 
1.88  1.202209788e+02 
1.90  1.195932151e+02 
1.92  1.187636596e+02 
1.94  1.175547003e+02 
1.96  1.161404761e+02 
1.98  1.146271931e+02 
2.00  1.131415902e+02 
2.02  1.117794918e+02 
2.04  1.105751085e+02 
2.06  1.095177917e+02 
2.08  1.085819352e+02 
2.10  1.077746974e+02 
2.12  1.070832752e+02 
2.14  1.064685173e+02 
2.16  1.059018011e+02 
2.18  9.502726567e+01 
2.20  6.838606946e+01 
2.22  5.076694123e+01 
2.24  3.598717919e+01 
2.26  2.256573186e+01 
2.28  1.225335068e+01 
2.30  5.626702642e+00 
2.32  1.628488341e+00 
2.34 -1.040800212e+00 
2.36 -2.778324767e+00 
2.38 -3.892688483e+00 
2.40 -4.648438855e+00 
2.42 -5.149642170e+00 
2.44 -5.397835228e+00 
2.46 -5.594311681e+00 
2.48 -5.766616546e+00 
2.50 -5.916454288e+00 
2.52 -6.038092622e+00 
2.54 -6.139895957e+00 
2.56 -6.265289230e+00 
2.58 -6.373711559e+00 
2.60 -6.458251655e+00 
2.62 -6.500399581e+00 
2.64 -6.505281214e+00 
2.66 -6.494087727e+00 
2.68 -6.485614384e+00 
2.70 -6.483891151e+00 
2.72 -6.471483623e+00 
2.74 -6.446391452e+00 
2.76 -6.410757664e+00 
2.78 -6.365107933e+00 
2.80 -6.305571606e+00 
2.82 -6.222096398e+00 
2.84 -6.106053798e+00 
2.86 -5.968768915e+00 
2.88 -5.842768968e+00 
2.90 -5.755872517e+00 
2.92 -5.641836259e+00 
2.94 -5.488788157e+00 
2.96 -5.317872143e+00 
2.98 -5.139771051e+00 
3.00 -4.972013495e+00 
3.02 -4.828677791e+00 
3.04 -4.721355463e+00 
3.06 -4.641941915e+00 
3.08 -4.571578114e+00 
3.10 -4.488430416e+00 
3.12 -4.371649591e+00 
3.14 -4.223428804e+00 
3.16 -4.070393123e+00 
3.18 -3.938343330e+00 
3.20 -3.838896574e+00 
3.22 -3.775126452e+00 
3.24 -3.750201504e+00 
3.26 -3.738162707e+00 
3.28 -3.718448228e+00 
3.30 -3.684904075e+00 
3.32 -3.636455674e+00 
3.34 -3.578231532e+00 
3.36 -3.517581476e+00 
3.38 -3.461950470e+00 
3.40 -3.418645265e+00 
3.42 -3.390248945e+00 
3.44 -3.374715021e+00 
3.46 -3.369611760e+00 
3.48 -3.372161320e+00 
3.50 -3.379183475e+00 
3.52 -3.388745935e+00 
3.54 -3.401082364e+00 
3.56 -3.417984300e+00 
3.58 -3.438100639e+00 
3.60 -3.455397270e+00 
3.62 -3.463590839e+00 
3.64 -3.456552911e+00 
3.66 -3.430782655e+00 
3.68 -3.385067986e+00 
3.70 -3.316207819e+00 
3.72 -3.221764004e+00 
3.74 -3.104063303e+00 
3.76 -2.969792267e+00 
3.78 -2.824945603e+00 
3.80 -2.675405216e+00 
3.82 -2.503541916e+00 
3.84 -2.307152854e+00 
3.86 -2.096457977e+00 
3.88 -1.881948255e+00 
3.90 -1.674652577e+00 
3.92 -1.485956240e+00 
3.94 -1.324135256e+00 
3.96 -1.187613069e+00 
3.98 -1.072731670e+00 
4.00 -9.760694220e-01 
4.02 -8.946055761e-01 
4.04 -8.252537858e-01 
4.06 -7.648608771e-01 
4.08 -7.118701133e-01 
4.10 -6.667140236e-01 
4.12 -6.296305590e-01 
4.14 -6.006174659e-01 
4.16 -5.797480935e-01 
4.18 -5.671811993e-01 
4.20 -5.631271470e-01 
4.22 -5.677281090e-01 
4.24 -5.804265574e-01 
4.26 -6.001401095e-01 
4.28 -6.256613907e-01 
4.30 -6.557462492e-01 
4.32 -6.891918529e-01 
4.34 -7.248398350e-01 
4.36 -7.616344970e-01 
4.38 -7.985562132e-01 
4.40 -8.345953252e-01 
4.42 -8.687441804e-01 
4.44 -8.999959809e-01 
4.46 -9.272650217e-01 
4.48 -9.500227850e-01 
4.50 -9.692033980e-01 
4.52 -9.858877929e-01 
4.54 -1.001108108e+00 
4.56 -1.015829320e+00 
4.58 -1.030725202e+00 
4.60 -1.046016173e+00 
4.62 -1.061217702e+00 
4.64 -1.075313104e+00 
4.66 -1.087449735e+00 
4.68 -1.096857672e+00 
4.70 -1.103088728e+00 
4.72 -1.105319643e+00 
4.74 -1.101945727e+00 
4.76 -1.093515683e+00 
4.78 -1.082055968e+00 
4.80 -1.070086765e+00 
4.82 -1.060424031e+00 
4.84 -1.055822188e+00 
4.86 -1.058637102e+00 
4.88 -1.069875906e+00 
4.90 -1.087981654e+00 
4.92 -1.110933237e+00 
4.94 -1.135842547e+00 
4.96 -1.159757815e+00 
4.98 -1.179936668e+00 
5.00 -1.193666056e+00 
5.02 -1.199121815e+00 
5.04 -1.196230973e+00 
5.06 -1.186501890e+00 
5.08 -1.171740010e+00 
5.10 -1.153751409e+00 
5.12 -1.134342533e+00 
5.14 -1.115291680e+00 
5.16 -1.097328828e+00 
5.18 -1.079585000e+00 
5.20 -1.061040490e+00 
5.22 -1.040679410e+00 
5.24 -1.017488527e+00 
5.26 -9.904831090e-01 
5.28 -9.604326233e-01 
5.30 -9.297488124e-01 
5.32 -9.008555671e-01 
5.34 -8.762393333e-01 
5.36 -8.584629435e-01 
5.38 -8.472408425e-01 
5.40 -8.331587143e-01 
5.42 -8.150976334e-01 
5.44 -7.938513805e-01 
5.46 -7.703435360e-01 
5.48 -7.455191260e-01 
5.50 -7.203556931e-01 
5.52 -6.958567955e-01 
5.54 -6.730315661e-01 
5.56 -6.523957086e-01 
5.58 -6.337558977e-01 
5.60 -6.167496555e-01 
5.62 -6.010883933e-01 
5.64 -5.865862256e-01 
5.66 -5.730109375e-01 
5.68 -5.599715071e-01 
5.70 -5.475683971e-01 
5.72 -5.366066795e-01 
5.74 -5.277324426e-01 
5.76 -5.214400617e-01 
5.78 -5.184314906e-01 
5.80 -5.197354374e-01 
5.82 -5.252423344e-01 
5.84 -5.327212179e-01 
5.86 -5.401071133e-01 
5.88 -5.458231392e-01 
5.90 -5.485537498e-01 
5.92 -5.470350345e-01 
5.94 -5.399138565e-01 
5.96 -5.265692411e-01 
5.98 -5.076509943e-01 
6.00 -4.838490237e-01