# 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 = Nb2Ti
# 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  8.082115921e+03 
0.98  7.065121525e+03 
1.00  6.176799562e+03 
1.02  5.400757791e+03 
1.04  4.722672862e+03 
1.06  4.130497337e+03 
1.08  3.612603872e+03 
1.10  3.160124525e+03 
1.12  2.764762519e+03 
1.14  2.418856042e+03 
1.16  2.116224266e+03 
1.18  1.852032985e+03 
1.20  1.620877181e+03 
1.22  1.418387937e+03 
1.24  1.241106622e+03 
1.26  1.086022389e+03 
1.28  9.502462374e+02 
1.30  8.313015806e+02 
1.32  7.272229120e+02 
1.34  6.360464286e+02 
1.36  5.561213440e+02 
1.38  4.862070319e+02 
1.40  4.250391031e+02 
1.42  3.713922683e+02 
1.44  3.243492632e+02 
1.46  2.830724735e+02 
1.48  2.471430291e+02 
1.50  2.156238109e+02 
1.52  1.880864217e+02 
1.54  1.640367634e+02 
1.56  1.430119470e+02 
1.58  1.245974895e+02 
1.60  1.084437854e+02 
1.62  9.435283317e+01 
1.64  8.212598471e+01 
1.66  7.145242654e+01 
1.68  6.205437377e+01 
1.70  5.380984204e+01 
1.72  4.664358566e+01 
1.74  4.038772245e+01 
1.76  3.485791676e+01 
1.78  2.997993400e+01 
1.80  2.573610968e+01 
1.82  2.204040405e+01 
1.84  1.881792215e+01 
1.86  1.600667120e+01 
1.88  1.354874865e+01 
1.90  1.140320626e+01 
1.92  9.548944780e+00 
1.94  7.959025736e+00 
1.96  6.418782212e+00 
1.98  5.033116316e+00 
2.00  3.834651528e+00 
2.02  2.804406342e+00 
2.04  1.929427744e+00 
2.06  1.179118038e+00 
2.08  5.165744425e-01 
2.10 -1.547428410e-01 
2.12 -9.500944715e-01 
2.14 -1.614525098e+00 
2.16 -2.194216138e+00 
2.18 -2.701966368e+00 
2.20 -3.133823249e+00 
2.22 -3.513418548e+00 
2.24 -3.777491052e+00 
2.26 -3.992990102e+00 
2.28 -4.175274052e+00 
2.30 -4.325017587e+00 
2.32 -4.445871557e+00 
2.34 -4.556564305e+00 
2.36 -4.682901702e+00 
2.38 -4.834667115e+00 
2.40 -4.999663087e+00 
2.42 -5.185178318e+00 
2.44 -5.334415126e+00 
2.46 -5.440525726e+00 
2.48 -5.533864494e+00 
2.50 -5.609469250e+00 
2.52 -5.673978882e+00 
2.54 -5.727325922e+00 
2.56 -5.774404516e+00 
2.58 -5.812818066e+00 
2.60 -5.848220299e+00 
2.62 -5.885121978e+00 
2.64 -5.922110495e+00 
2.66 -5.953083181e+00 
2.68 -5.971388069e+00 
2.70 -5.975125079e+00 
2.72 -5.968388095e+00 
2.74 -5.957320586e+00 
2.76 -5.946374989e+00 
2.78 -5.935609384e+00 
2.80 -5.923162066e+00 
2.82 -5.908833431e+00 
2.84 -5.891705825e+00 
2.86 -5.868104080e+00 
2.88 -5.833690028e+00 
2.90 -5.787396913e+00 
2.92 -5.733742226e+00 
2.94 -5.674385275e+00 
2.96 -5.608893264e+00 
2.98 -5.537074090e+00 
3.00 -5.462181778e+00 
3.02 -5.388113161e+00 
3.04 -5.318577085e+00 
3.06 -5.254356275e+00 
3.08 -5.194711950e+00 
3.10 -5.141469640e+00 
3.12 -5.093737043e+00 
3.14 -5.049503623e+00 
3.16 -5.006188767e+00 
3.18 -4.959058240e+00 
3.20 -4.908096474e+00 
3.22 -4.857294375e+00 
3.24 -4.810887128e+00 
3.26 -4.765054000e+00 
3.28 -4.714463898e+00 
3.30 -4.657225577e+00 
3.32 -4.592454550e+00 
3.34 -4.519486184e+00 
3.36 -4.435842859e+00 
3.38 -4.335802439e+00 
3.40 -4.214626264e+00 
3.42 -4.076783634e+00 
3.44 -3.927225355e+00 
3.46 -3.768255803e+00 
3.48 -3.607056344e+00 
3.50 -3.446840558e+00 
3.52 -3.293480304e+00 
3.54 -3.164849297e+00 
3.56 -3.069887842e+00 
3.58 -3.002958676e+00 
3.60 -2.953349608e+00 
3.62 -2.911114290e+00 
3.64 -2.865459899e+00 
3.66 -2.811796531e+00 
3.68 -2.752408945e+00 
3.70 -2.690304652e+00 
3.72 -2.629701738e+00 
3.74 -2.575430968e+00 
3.76 -2.531247948e+00 
3.78 -2.500530595e+00 
3.80 -2.485681176e+00 
3.82 -2.477395039e+00 
3.84 -2.470168261e+00 
3.86 -2.461983625e+00 
3.88 -2.450902264e+00 
3.90 -2.435025617e+00 
3.92 -2.412024194e+00 
3.94 -2.378304823e+00 
3.96 -2.331735297e+00 
3.98 -2.275916154e+00 
4.00 -2.217516170e+00 
4.02 -2.157999933e+00 
4.04 -2.096471079e+00 
4.06 -2.035319659e+00 
4.08 -1.977053915e+00 
4.10 -1.922145217e+00 
4.12 -1.871324567e+00 
4.14 -1.825320566e+00 
4.16 -1.784046885e+00 
4.18 -1.746897308e+00 
4.20 -1.713287746e+00 
4.22 -1.684491417e+00 
4.24 -1.660765306e+00 
4.26 -1.641268662e+00 
4.28 -1.625134343e+00 
4.30 -1.611501342e+00 
4.32 -1.599535053e+00 
4.34 -1.588567786e+00 
4.36 -1.578788236e+00 
4.38 -1.570629431e+00 
4.40 -1.564442904e+00 
4.42 -1.560504069e+00 
4.44 -1.559023884e+00 
4.46 -1.559846124e+00 
4.48 -1.562017108e+00 
4.50 -1.564620095e+00 
4.52 -1.566794896e+00 
4.54 -1.567710811e+00 
4.56 -1.566568480e+00 
4.58 -1.562873433e+00 
4.60 -1.556600604e+00 
4.62 -1.547874259e+00 
4.64 -1.536876924e+00 
4.66 -1.523760630e+00 
4.68 -1.508532516e+00 
4.70 -1.490982600e+00 
4.72 -1.470759163e+00 
4.74 -1.447503881e+00 
4.76 -1.421228881e+00 
4.78 -1.392091167e+00 
4.80 -1.360277792e+00 
4.82 -1.325950916e+00 
4.84 -1.289262091e+00 
4.86 -1.250238193e+00 
4.88 -1.208294582e+00 
4.90 -1.161814917e+00 
4.92 -1.108914751e+00 
4.94 -1.049284676e+00 
4.96 -9.843717519e-01 
4.98 -9.173920040e-01 
5.00 -8.534851893e-01 
5.02 -7.997989377e-01 
5.04 -7.626151729e-01 
5.06 -7.406984484e-01 
5.08 -7.298858903e-01 
5.10 -7.252158256e-01 
5.12 -7.215044176e-01 
5.14 -7.134231526e-01 
5.16 -6.970649369e-01 
5.18 -6.730469469e-01 
5.20 -6.424512768e-01 
5.22 -6.063204488e-01 
5.24 -5.670640436e-01 
5.26 -5.266368711e-01 
5.28 -4.866878126e-01 
5.30 -4.492249719e-01 
5.32 -4.164766875e-01 
5.34 -3.909391397e-01 
5.36 -3.753232875e-01 
5.38 -3.690943618e-01 
5.40 -3.619128959e-01 
5.42 -3.526935193e-01 
5.44 -3.415919186e-01 
5.46 -3.286976065e-01 
5.48 -3.142097633e-01 
5.50 -2.984312777e-01 
5.52 -2.817026128e-01 
5.54 -2.643843935e-01 
5.56 -2.465987017e-01 
5.58 -2.276002025e-01 
5.60 -2.064870532e-01 
5.62 -1.822005333e-01 
5.64 -1.533474228e-01 
5.66 -1.192908718e-01 
5.68 -8.121655111e-02 
5.70 -4.228115546e-02 
5.72 -6.367421098e-03 
5.74  2.306428574e-02 
5.76  4.375049152e-02 
5.78  5.511124028e-02 
5.80  5.828127397e-02 
5.82  5.591455003e-02 
5.84  5.133257412e-02 
5.86  4.684410723e-02 
5.88  4.302432551e-02 
5.90  3.838726922e-02 
5.92  2.952620983e-02 
5.94  1.196026457e-02 
5.96 -1.675389801e-02 
5.98 -5.312342565e-02 
6.00 -8.933029759e-02