# 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 = Nb2Zr
# 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  8.160541389e+02 
0.98  7.091782463e+02 
1.00  6.169290560e+02 
1.02  5.365961156e+02 
1.04  4.670684253e+02 
1.06  4.071324128e+02 
1.08  3.548487190e+02 
1.10  3.099582885e+02 
1.12  2.714204870e+02 
1.14  2.374246930e+02 
1.16  2.080286306e+02 
1.18  1.827568006e+02 
1.20  1.602979302e+02 
1.22  1.406867981e+02 
1.24  1.237784701e+02 
1.26  1.090017156e+02 
1.28  9.606777555e+01 
1.30  8.477022792e+01 
1.32  7.486528654e+01 
1.34  6.600764264e+01 
1.36  5.803070237e+01 
1.38  5.121987169e+01 
1.40  4.522254391e+01 
1.42  3.969827028e+01 
1.44  3.480399131e+01 
1.46  3.041876541e+01 
1.48  2.679265770e+01 
1.50  2.355124451e+01 
1.52  2.069144667e+01 
1.54  1.820753647e+01 
1.56  1.596980202e+01 
1.58  1.395560447e+01 
1.60  1.219257187e+01 
1.62  1.071802525e+01 
1.64  9.435767483e+00 
1.66  8.250359577e+00 
1.68  7.117802727e+00 
1.70  6.104315019e+00 
1.72  5.296515781e+00 
1.74  4.616841001e+00 
1.76  3.941886029e+00 
1.78  3.327414082e+00 
1.80  2.860551998e+00 
1.82  2.408625415e+00 
1.84  1.963838483e+00 
1.86  1.531188679e+00 
1.88  1.113662856e+00 
1.90  7.394260576e-01 
1.92  4.272216298e-01 
1.94  1.709028363e-01 
1.96 -5.693760236e-02 
1.98 -3.040248742e-01 
2.00 -5.908894218e-01 
2.02 -8.542503654e-01 
2.04 -1.102654968e+00 
2.06 -1.366717698e+00 
2.08 -1.624030516e+00 
2.10 -1.868784018e+00 
2.12 -2.227056505e+00 
2.14 -2.564230682e+00 
2.16 -2.842768252e+00 
2.18 -3.086409222e+00 
2.20 -3.301093399e+00 
2.22 -3.510714759e+00 
2.24 -3.702207270e+00 
2.26 -3.878823601e+00 
2.28 -4.036139928e+00 
2.30 -4.167967913e+00 
2.32 -4.272678169e+00 
2.34 -4.370341724e+00 
2.36 -4.488470589e+00 
2.38 -4.632622328e+00 
2.40 -4.771301777e+00 
2.42 -4.906724241e+00 
2.44 -5.015320145e+00 
2.46 -5.088870874e+00 
2.48 -5.203345557e+00 
2.50 -5.309805776e+00 
2.52 -5.410084228e+00 
2.54 -5.495269937e+00 
2.56 -5.585684847e+00 
2.58 -5.665755702e+00 
2.60 -5.751434584e+00 
2.62 -5.847864790e+00 
2.64 -5.944447367e+00 
2.66 -6.028284300e+00 
2.68 -6.092143619e+00 
2.70 -6.120196559e+00 
2.72 -6.120974420e+00 
2.74 -6.117846908e+00 
2.76 -6.126482237e+00 
2.78 -6.141511815e+00 
2.80 -6.152633074e+00 
2.82 -6.156600652e+00 
2.84 -6.151598449e+00 
2.86 -6.140284485e+00 
2.88 -6.120954738e+00 
2.90 -6.086246782e+00 
2.92 -6.037066011e+00 
2.94 -5.981550407e+00 
2.96 -5.924796140e+00 
2.98 -5.862471602e+00 
3.00 -5.792448869e+00 
3.02 -5.718239245e+00 
3.04 -5.650517023e+00 
3.06 -5.594286906e+00 
3.08 -5.545577938e+00 
3.10 -5.499846835e+00 
3.12 -5.448560979e+00 
3.14 -5.381179667e+00 
3.16 -5.289459045e+00 
3.18 -5.173818363e+00 
3.20 -5.054814045e+00 
3.22 -4.962767836e+00 
3.24 -4.924006293e+00 
3.26 -4.917171617e+00 
3.28 -4.918978789e+00 
3.30 -4.922933114e+00 
3.32 -4.922831989e+00 
3.34 -4.912701754e+00 
3.36 -4.886712898e+00 
3.38 -4.839146605e+00 
3.40 -4.766581665e+00 
3.42 -4.672685961e+00 
3.44 -4.564342470e+00 
3.46 -4.445692815e+00 
3.48 -4.320766619e+00 
3.50 -4.197752143e+00 
3.52 -4.086597084e+00 
3.54 -3.992167404e+00 
3.56 -3.916913784e+00 
3.58 -3.859919713e+00 
3.60 -3.815795397e+00 
3.62 -3.778095353e+00 
3.64 -3.739855731e+00 
3.66 -3.698780434e+00 
3.68 -3.655469758e+00 
3.70 -3.609388217e+00 
3.72 -3.560058564e+00 
3.74 -3.507738743e+00 
3.76 -3.452971116e+00 
3.78 -3.396396281e+00 
3.80 -3.338457888e+00 
3.82 -3.271233074e+00 
3.84 -3.191200114e+00 
3.86 -3.100097026e+00 
3.88 -3.003328468e+00 
3.90 -2.911915729e+00 
3.92 -2.835547569e+00 
3.94 -2.766969806e+00 
3.96 -2.689980532e+00 
3.98 -2.603808353e+00 
4.00 -2.518127727e+00 
4.02 -2.437421032e+00 
4.04 -2.362335116e+00 
4.06 -2.294643935e+00 
4.08 -2.235279521e+00 
4.10 -2.182623476e+00 
4.12 -2.135352578e+00 
4.14 -2.092713320e+00 
4.16 -2.054006065e+00 
4.18 -2.018670074e+00 
4.20 -1.986449677e+00 
4.22 -1.957938617e+00 
4.24 -1.932831906e+00 
4.26 -1.909988096e+00 
4.28 -1.888117068e+00 
4.30 -1.865769183e+00 
4.32 -1.841336428e+00 
4.34 -1.813660088e+00 
4.36 -1.783542567e+00 
4.38 -1.752476119e+00 
4.40 -1.722059570e+00 
4.42 -1.693879791e+00 
4.44 -1.669418981e+00 
4.46 -1.649581332e+00 
4.48 -1.633705166e+00 
4.50 -1.620477261e+00 
4.52 -1.608574258e+00 
4.54 -1.596708601e+00 
4.56 -1.583637288e+00 
4.58 -1.568489976e+00 
4.60 -1.550993711e+00 
4.62 -1.531347846e+00 
4.64 -1.510022541e+00 
4.66 -1.487464955e+00 
4.68 -1.464077183e+00 
4.70 -1.440147685e+00 
4.72 -1.415856128e+00 
4.74 -1.391328359e+00 
4.76 -1.366721927e+00 
4.78 -1.342071384e+00 
4.80 -1.317397243e+00 
4.82 -1.292720380e+00 
4.84 -1.268004670e+00 
4.86 -1.243144811e+00 
4.88 -1.217855706e+00 
4.90 -1.191557681e+00 
4.92 -1.163635806e+00 
4.94 -1.134389372e+00 
4.96 -1.104971846e+00 
4.98 -1.077309596e+00 
5.00 -1.054119534e+00 
5.02 -1.038440250e+00 
5.04 -1.032089803e+00 
5.06 -1.032807073e+00 
5.08 -1.037016391e+00 
5.10 -1.041041250e+00 
5.12 -1.041304118e+00 
5.14 -1.034326077e+00 
5.16 -1.018465956e+00 
5.18 -9.947970114e-01 
5.20 -9.646470112e-01 
5.22 -9.295327886e-01 
5.24 -8.914135170e-01 
5.26 -8.528871963e-01 
5.28 -8.166949521e-01 
5.30 -7.844443800e-01 
5.32 -7.577543417e-01 
5.34 -7.383960255e-01 
5.36 -7.280914555e-01 
5.38 -7.258317484e-01 
5.40 -7.232844328e-01 
5.42 -7.192031716e-01 
5.44 -7.136348419e-01 
5.46 -7.066699985e-01 
5.48 -6.983947476e-01 
5.50 -6.888887260e-01 
5.52 -6.782235190e-01 
5.54 -6.664554219e-01 
5.56 -6.535787818e-01 
5.58 -6.395531276e-01 
5.60 -6.243433897e-01 
5.62 -6.078954032e-01 
5.64 -5.901472340e-01 
5.66 -5.710402258e-01 
5.68 -5.506454220e-01 
5.70 -5.292453478e-01 
5.72 -5.071644238e-01 
5.74 -4.845805179e-01 
5.76 -4.616438049e-01 
5.78 -4.385384950e-01 
5.80 -4.154606812e-01 
5.82 -3.926239839e-01 
5.84 -3.703110238e-01 
5.86 -3.488352312e-01 
5.88 -3.285317365e-01 
5.90 -3.097859588e-01 
5.92 -2.930057237e-01 
5.94 -2.786284940e-01 
5.96 -2.663189737e-01 
5.98 -2.548504402e-01 
6.00 -2.431315081e-01