# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2026--Starikov-S-Grigorev-P-Lee-S-H-et-al--W-Mo-Nb-Zr-Ti-Ta
# implementation = 2026--Starikov-S--W-Mo-Nb-Zr-Ti-Ta--LAMMPS--ipr1
# composition = MoNb2
# 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 2025-12-17

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  1.940962001e+03 
0.98  1.721872659e+03 
1.00  1.528442895e+03 
1.02  1.357977376e+03 
1.04  1.207140685e+03 
1.06  1.073935669e+03 
1.08  9.565014075e+02 
1.10  8.530018222e+02 
1.12  7.614401831e+02 
1.14  6.798324036e+02 
1.16  6.068706190e+02 
1.18  5.416310879e+02 
1.20  4.832583625e+02 
1.22  4.313564741e+02 
1.24  3.852106475e+02 
1.26  3.441128255e+02 
1.28  3.074731792e+02 
1.30  2.746560980e+02 
1.32  2.454308412e+02 
1.34  2.193727672e+02 
1.36  1.960091688e+02 
1.38  1.751674012e+02 
1.40  1.565328508e+02 
1.42  1.397505971e+02 
1.44  1.246954457e+02 
1.46  1.111800796e+02 
1.48  9.933641889e+01 
1.50  8.860884333e+01 
1.52  7.890343219e+01 
1.54  7.021258636e+01 
1.56  6.248350587e+01 
1.58  5.557523752e+01 
1.60  4.933925908e+01 
1.62  4.375250883e+01 
1.64  3.877481522e+01 
1.66  3.429783679e+01 
1.68  3.023871784e+01 
1.70  2.664082487e+01 
1.72  2.353636542e+01 
1.74  2.084316372e+01 
1.76  1.845957458e+01 
1.78  1.633741330e+01 
1.80  1.445759422e+01 
1.82  1.273626485e+01 
1.84  1.117799423e+01 
1.86  9.774391961e+00 
1.88  8.498715898e+00 
1.90  7.343581387e+00 
1.92  6.301795684e+00 
1.94  5.362562624e+00 
1.96  4.514275345e+00 
1.98  3.741228138e+00 
2.00  3.045680179e+00 
2.02  2.339128590e+00 
2.04  1.780223090e+00 
2.06  1.269154289e+00 
2.08  7.904279086e-01 
2.10  1.546790916e-01 
2.12 -4.993531066e-01 
2.14 -1.103748870e+00 
2.16 -1.622819171e+00 
2.18 -2.081473904e+00 
2.20 -2.479723312e+00 
2.22 -2.845257891e+00 
2.24 -3.189618119e+00 
2.26 -3.522757389e+00 
2.28 -3.841717676e+00 
2.30 -4.130654557e+00 
2.32 -4.375438653e+00 
2.34 -4.584702027e+00 
2.36 -4.778906685e+00 
2.38 -4.968010323e+00 
2.40 -5.146062993e+00 
2.42 -5.320455606e+00 
2.44 -5.521965903e+00 
2.46 -5.657130052e+00 
2.48 -5.806567161e+00 
2.50 -5.934909927e+00 
2.52 -6.057444925e+00 
2.54 -6.162081556e+00 
2.56 -6.271756183e+00 
2.58 -6.378443269e+00 
2.60 -6.467575817e+00 
2.62 -6.531953080e+00 
2.64 -6.574208164e+00 
2.66 -6.601590942e+00 
2.68 -6.613758140e+00 
2.70 -6.618919658e+00 
2.72 -6.617019598e+00 
2.74 -6.607996569e+00 
2.76 -6.588783796e+00 
2.78 -6.558060990e+00 
2.80 -6.516175569e+00 
2.82 -6.463824394e+00 
2.84 -6.400870151e+00 
2.86 -6.328223727e+00 
2.88 -6.248670519e+00 
2.90 -6.163898630e+00 
2.92 -6.077240362e+00 
2.94 -5.990677328e+00 
2.96 -5.909324984e+00 
2.98 -5.838431589e+00 
3.00 -5.780294965e+00 
3.02 -5.732034329e+00 
3.04 -5.689589004e+00 
3.06 -5.645683507e+00 
3.08 -5.591741459e+00 
3.10 -5.523883939e+00 
3.12 -5.439309610e+00 
3.14 -5.340901970e+00 
3.16 -5.232065407e+00 
3.18 -5.114079048e+00 
3.20 -4.998668761e+00 
3.22 -4.906192718e+00 
3.24 -4.857616119e+00 
3.26 -4.830404468e+00 
3.28 -4.801881624e+00 
3.30 -4.766764605e+00 
3.32 -4.720961785e+00 
3.34 -4.661787168e+00 
3.36 -4.587089148e+00 
3.38 -4.494708882e+00 
3.40 -4.382137730e+00 
3.42 -4.250855245e+00 
3.44 -4.106960722e+00 
3.46 -3.958269848e+00 
3.48 -3.807964320e+00 
3.50 -3.658509151e+00 
3.52 -3.523802252e+00 
3.54 -3.414124018e+00 
3.56 -3.330060997e+00 
3.58 -3.266950494e+00 
3.60 -3.217851174e+00 
3.62 -3.175370045e+00 
3.64 -3.132187855e+00 
3.66 -3.085457279e+00 
3.68 -3.034580701e+00 
3.70 -2.977679779e+00 
3.72 -2.912748969e+00 
3.74 -2.840990420e+00 
3.76 -2.768140820e+00 
3.78 -2.700895848e+00 
3.80 -2.645970062e+00 
3.82 -2.589011647e+00 
3.84 -2.523119930e+00 
3.86 -2.449357417e+00 
3.88 -2.368749834e+00 
3.90 -2.282029492e+00 
3.92 -2.190525722e+00 
3.94 -2.097573922e+00 
3.96 -2.007849981e+00 
3.98 -1.922661637e+00 
4.00 -1.841078358e+00 
4.02 -1.762078289e+00 
4.04 -1.685890951e+00 
4.06 -1.615502243e+00 
4.08 -1.553666372e+00 
4.10 -1.499345738e+00 
4.12 -1.451763599e+00 
4.14 -1.411009118e+00 
4.16 -1.377106092e+00 
4.18 -1.349893197e+00 
4.20 -1.329043732e+00 
4.22 -1.315034235e+00 
4.24 -1.307089867e+00 
4.26 -1.303655033e+00 
4.28 -1.303338694e+00 
4.30 -1.304892915e+00 
4.32 -1.307091326e+00 
4.34 -1.308919515e+00 
4.36 -1.310253972e+00 
4.38 -1.311250689e+00 
4.40 -1.312164592e+00 
4.42 -1.313421358e+00 
4.44 -1.315627716e+00 
4.46 -1.319147941e+00 
4.48 -1.323457541e+00 
4.50 -1.327927773e+00 
4.52 -1.331871626e+00 
4.54 -1.334561372e+00 
4.56 -1.335223675e+00 
4.58 -1.333297062e+00 
4.60 -1.328590489e+00 
4.62 -1.320742286e+00 
4.64 -1.309285422e+00 
4.66 -1.293787431e+00 
4.68 -1.273910148e+00 
4.70 -1.249382915e+00 
4.72 -1.220022551e+00 
4.74 -1.186002836e+00 
4.76 -1.148529824e+00 
4.78 -1.109151488e+00 
4.80 -1.069457620e+00 
4.82 -1.030939968e+00 
4.84 -9.949868994e-01 
4.86 -9.629463483e-01 
4.88 -9.350941575e-01 
4.90 -9.093951734e-01 
4.92 -8.837100414e-01 
4.94 -8.582470808e-01 
4.96 -8.343845225e-01 
4.98 -8.138443956e-01 
5.00 -7.986791217e-01 
5.02 -7.928356563e-01 
5.04 -7.998153367e-01 
5.06 -8.163438428e-01 
5.08 -8.377765285e-01 
5.10 -8.599443808e-01 
5.12 -8.793545234e-01 
5.14 -8.929485188e-01 
5.16 -8.987649504e-01 
5.18 -8.980073380e-01 
5.20 -8.920163600e-01 
5.22 -8.820000482e-01 
5.24 -8.691966340e-01 
5.26 -8.549885225e-01 
5.28 -8.408082258e-01 
5.30 -8.278892379e-01 
5.32 -8.175277227e-01 
5.34 -8.110712824e-01 
5.36 -8.098244981e-01 
5.38 -8.127086528e-01 
5.40 -8.123270090e-01 
5.42 -8.079239614e-01 
5.44 -7.998267632e-01 
5.46 -7.883532858e-01 
5.48 -7.737948104e-01 
5.50 -7.564369403e-01 
5.52 -7.365775043e-01 
5.54 -7.146016826e-01 
5.56 -6.916472723e-01 
5.58 -6.694319812e-01 
5.60 -6.498390958e-01 
5.62 -6.348160944e-01 
5.64 -6.263389242e-01 
5.66 -6.262549346e-01 
5.68 -6.354110834e-01 
5.70 -6.513756615e-01 
5.72 -6.709296363e-01 
5.74 -6.911870467e-01 
5.76 -7.096860313e-01 
5.78 -7.243363312e-01 
5.80 -7.332698739e-01 
5.82 -7.356586192e-01 
5.84 -7.324923855e-01 
5.86 -7.247898488e-01 
5.88 -7.135288529e-01 
5.90 -6.997717780e-01 
5.92 -6.847414307e-01 
5.94 -6.697546014e-01 
5.96 -6.544789151e-01 
5.98 -6.368918720e-01 
6.00 -6.147309194e-01