# 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 = NbTi2
# 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  7.427987494e+03 
0.98  6.499383068e+03 
1.00  5.687569719e+03 
1.02  4.977614622e+03 
1.04  4.356757742e+03 
1.06  3.813899617e+03 
1.08  3.339030228e+03 
1.10  2.923838765e+03 
1.12  2.560794545e+03 
1.14  2.242839672e+03 
1.16  1.964449877e+03 
1.18  1.721279165e+03 
1.20  1.508337634e+03 
1.22  1.321613389e+03 
1.24  1.157912084e+03 
1.26  1.014503811e+03 
1.28  8.887825306e+02 
1.30  7.785493572e+02 
1.32  6.819148946e+02 
1.34  5.971618479e+02 
1.36  5.227836080e+02 
1.38  4.576453143e+02 
1.40  4.006010268e+02 
1.42  3.505710233e+02 
1.44  3.066585931e+02 
1.46  2.681281094e+02 
1.48  2.343967398e+02 
1.50  2.049166111e+02 
1.52  1.791705155e+02 
1.54  1.566530196e+02 
1.56  1.369139667e+02 
1.58  1.195971384e+02 
1.60  1.044240642e+02 
1.62  9.116038177e+01 
1.64  7.958459029e+01 
1.66  6.944268252e+01 
1.68  6.049935185e+01 
1.70  5.262270179e+01 
1.72  4.572381063e+01 
1.74  3.964578989e+01 
1.76  3.429612772e+01 
1.78  2.958795368e+01 
1.80  2.545836267e+01 
1.82  2.184634563e+01 
1.84  1.868957565e+01 
1.86  1.594124621e+01 
1.88  1.344267601e+01 
1.90  1.125459558e+01 
1.92  9.398014579e+00 
1.94  7.837286700e+00 
1.96  6.520246686e+00 
1.98  5.382416586e+00 
2.00  4.376496370e+00 
2.02  3.497375495e+00 
2.04  2.746964911e+00 
2.06  1.723688451e+00 
2.08  8.111219145e-01 
2.10 -1.892081861e-03 
2.12 -7.078130215e-01 
2.14 -1.313024943e+00 
2.16 -1.843064228e+00 
2.18 -2.307589386e+00 
2.20 -2.708717651e+00 
2.22 -3.061461270e+00 
2.24 -3.297941381e+00 
2.26 -3.481095652e+00 
2.28 -3.627238250e+00 
2.30 -3.742007501e+00 
2.32 -3.832212904e+00 
2.34 -3.910886864e+00 
2.36 -3.997965993e+00 
2.38 -4.107238284e+00 
2.40 -4.237471646e+00 
2.42 -4.392721527e+00 
2.44 -4.525895518e+00 
2.46 -4.612563733e+00 
2.48 -4.683498011e+00 
2.50 -4.746246830e+00 
2.52 -4.791254970e+00 
2.54 -4.832336097e+00 
2.56 -4.871507547e+00 
2.58 -4.904127336e+00 
2.60 -4.931858662e+00 
2.62 -4.958829047e+00 
2.64 -4.984068456e+00 
2.66 -5.005391918e+00 
2.68 -5.020360488e+00 
2.70 -5.026603543e+00 
2.72 -5.025250176e+00 
2.74 -5.020009284e+00 
2.76 -5.013936016e+00 
2.78 -5.006224013e+00 
2.80 -4.995629634e+00 
2.82 -4.982782656e+00 
2.84 -4.966857720e+00 
2.86 -4.941628659e+00 
2.88 -4.902668357e+00 
2.90 -4.853123735e+00 
2.92 -4.792172194e+00 
2.94 -4.709899008e+00 
2.96 -4.611344546e+00 
2.98 -4.516591926e+00 
3.00 -4.429517562e+00 
3.02 -4.346144583e+00 
3.04 -4.266579980e+00 
3.06 -4.191581403e+00 
3.08 -4.123796655e+00 
3.10 -4.067437179e+00 
3.12 -4.020559412e+00 
3.14 -3.977599083e+00 
3.16 -3.936309206e+00 
3.18 -3.892693445e+00 
3.20 -3.847727648e+00 
3.22 -3.805719035e+00 
3.24 -3.772005428e+00 
3.26 -3.744314647e+00 
3.28 -3.718664732e+00 
3.30 -3.693754525e+00 
3.32 -3.668021227e+00 
3.34 -3.639660841e+00 
3.36 -3.606122769e+00 
3.38 -3.564213840e+00 
3.40 -3.511694930e+00 
3.42 -3.449389232e+00 
3.44 -3.379484219e+00 
3.46 -3.303084210e+00 
3.48 -3.221421532e+00 
3.50 -3.138301441e+00 
3.52 -3.058117264e+00 
3.54 -2.982206861e+00 
3.56 -2.912349673e+00 
3.58 -2.850595871e+00 
3.60 -2.795716306e+00 
3.62 -2.745139408e+00 
3.64 -2.694911291e+00 
3.66 -2.642207901e+00 
3.68 -2.586697186e+00 
3.70 -2.528820705e+00 
3.72 -2.469970253e+00 
3.74 -2.413783539e+00 
3.76 -2.365160059e+00 
3.78 -2.327900324e+00 
3.80 -2.304657045e+00 
3.82 -2.287190662e+00 
3.84 -2.269526928e+00 
3.86 -2.248644654e+00 
3.88 -2.221672387e+00 
3.90 -2.186460075e+00 
3.92 -2.141360950e+00 
3.94 -2.086462446e+00 
3.96 -2.025274315e+00 
3.98 -1.960854717e+00 
4.00 -1.894003231e+00 
4.02 -1.825909268e+00 
4.04 -1.759157558e+00 
4.06 -1.698057857e+00 
4.08 -1.645656150e+00 
4.10 -1.602500850e+00 
4.12 -1.568171708e+00 
4.14 -1.541175243e+00 
4.16 -1.519334311e+00 
4.18 -1.499956670e+00 
4.20 -1.480219069e+00 
4.22 -1.459128863e+00 
4.24 -1.436970155e+00 
4.26 -1.414250315e+00 
4.28 -1.391518350e+00 
4.30 -1.369364976e+00 
4.32 -1.348433122e+00 
4.34 -1.329274687e+00 
4.36 -1.312083106e+00 
4.38 -1.297004522e+00 
4.40 -1.284192427e+00 
4.42 -1.273800752e+00 
4.44 -1.265973916e+00 
4.46 -1.260608775e+00 
4.48 -1.256986248e+00 
4.50 -1.254320388e+00 
4.52 -1.251818831e+00 
4.54 -1.248692046e+00 
4.56 -1.244165133e+00 
4.58 -1.237595071e+00 
4.60 -1.228556249e+00 
4.62 -1.216805647e+00 
4.64 -1.202204482e+00 
4.66 -1.184603971e+00 
4.68 -1.163825234e+00 
4.70 -1.139790918e+00 
4.72 -1.112508113e+00 
4.74 -1.082038037e+00 
4.76 -1.049029424e+00 
4.78 -1.014388338e+00 
4.80 -9.790771901e-01 
4.82 -9.438300804e-01 
4.84 -9.092634464e-01 
4.86 -8.759776396e-01 
4.88 -8.441156845e-01 
4.90 -8.129321445e-01 
4.92 -7.815756312e-01 
4.94 -7.494924992e-01 
4.96 -7.162711660e-01 
4.98 -6.815762812e-01 
5.00 -6.452083683e-01 
5.02 -6.075273115e-01 
5.04 -5.694447275e-01 
5.06 -5.319750386e-01 
5.08 -4.963627283e-01 
5.10 -4.640982704e-01 
5.12 -4.368777465e-01 
5.14 -4.163672815e-01 
5.16 -4.026353963e-01 
5.18 -3.942900023e-01 
5.20 -3.898324989e-01 
5.22 -3.873456099e-01 
5.24 -3.847551319e-01 
5.26 -3.800270865e-01 
5.28 -3.724604725e-01 
5.30 -3.631326941e-01 
5.32 -3.532702884e-01 
5.34 -3.440972897e-01 
5.36 -3.368332455e-01 
5.38 -3.316148721e-01 
5.40 -3.250361417e-01 
5.42 -3.166080801e-01 
5.44 -3.064668070e-01 
5.46 -2.947689187e-01 
5.48 -2.816732802e-01 
5.50 -2.673441502e-01 
5.52 -2.519508406e-01 
5.54 -2.356639826e-01 
5.56 -2.184664580e-01 
5.58 -2.002297345e-01 
5.60 -1.806661117e-01 
5.62 -1.597497183e-01 
5.64 -1.378565066e-01 
5.66 -1.132063271e-01 
5.68 -8.064971009e-02 
5.70 -4.188957254e-02 
5.72 -7.121027016e-03 
5.74  1.403283693e-02 
5.76  1.592938407e-02 
5.78 -1.020209323e-03 
5.80 -3.004011177e-02 
5.82 -6.000313784e-02 
5.84 -7.989678485e-02 
5.86 -8.248936808e-02 
5.88 -6.672186110e-02 
5.90 -3.882724098e-02 
5.92 -1.156533586e-02 
5.94 -8.491997382e-04 
5.96 -1.729650731e-02 
5.98 -5.293729519e-02 
6.00 -8.611271145e-02