# 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 = Ti2W
# 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  5.118627188e+02 
0.98  4.624760002e+02 
1.00  4.186139065e+02 
1.02  3.784133068e+02 
1.04  3.421260830e+02 
1.06  3.098521977e+02 
1.08  2.812049815e+02 
1.10  2.553524714e+02 
1.12  2.320750626e+02 
1.14  2.104221026e+02 
1.16  1.905795098e+02 
1.18  1.728813457e+02 
1.20  1.568572799e+02 
1.22  1.422240921e+02 
1.24  1.288548540e+02 
1.26  1.167304416e+02 
1.28  1.056977743e+02 
1.30  9.561189935e+01 
1.32  8.627211240e+01 
1.34  7.762105866e+01 
1.36  6.971828757e+01 
1.38  6.271337074e+01 
1.40  5.632189625e+01 
1.42  5.051036010e+01 
1.44  4.536452788e+01 
1.46  4.087074303e+01 
1.48  3.691624760e+01 
1.50  3.330513092e+01 
1.52  2.995018303e+01 
1.54  2.688655949e+01 
1.56  2.406071927e+01 
1.58  2.143712471e+01 
1.60  1.904341079e+01 
1.62  1.695643457e+01 
1.64  1.515844824e+01 
1.66  1.352428419e+01 
1.68  1.194810237e+01 
1.70  1.046687667e+01 
1.72  9.191603712e+00 
1.74  8.096598292e+00 
1.76  7.107671788e+00 
1.78  6.163672579e+00 
1.80  5.268457009e+00 
1.82  4.428901043e+00 
1.84  3.700258944e+00 
1.86  3.114630324e+00 
1.88  2.453013673e+00 
1.90  1.901504160e+00 
1.92  1.508738205e+00 
1.94  1.275906210e+00 
1.96  1.147423022e+00 
1.98  1.025775728e+00 
2.00  8.423171060e-01 
2.02  6.228422133e-01 
2.04  4.160892456e-01 
2.06  2.316104419e-01 
2.08  4.269174247e-02 
2.10 -1.662509555e-01 
2.12 -3.947668164e-01 
2.14 -6.051479311e-01 
2.16 -7.816220260e-01 
2.18 -1.328065214e+00 
2.20 -1.886654475e+00 
2.22 -2.364907987e+00 
2.24 -2.774739001e+00 
2.26 -3.128595051e+00 
2.28 -3.410848396e+00 
2.30 -3.626594127e+00 
2.32 -3.807345668e+00 
2.34 -3.988476875e+00 
2.36 -4.208051716e+00 
2.38 -4.463074389e+00 
2.40 -4.716247103e+00 
2.42 -4.863895658e+00 
2.44 -4.957341000e+00 
2.46 -5.048880890e+00 
2.48 -5.148085611e+00 
2.50 -5.247205695e+00 
2.52 -5.334080070e+00 
2.54 -5.394359070e+00 
2.56 -5.415796858e+00 
2.58 -5.427219038e+00 
2.60 -5.440994542e+00 
2.62 -5.457643259e+00 
2.64 -5.485498141e+00 
2.66 -5.514559006e+00 
2.68 -5.536099869e+00 
2.70 -5.544517275e+00 
2.72 -5.541955712e+00 
2.74 -5.534448395e+00 
2.76 -5.528203670e+00 
2.78 -5.524015287e+00 
2.80 -5.519987128e+00 
2.82 -5.515769371e+00 
2.84 -5.508582943e+00 
2.86 -5.488481725e+00 
2.88 -5.452866660e+00 
2.90 -5.405647195e+00 
2.92 -5.336620198e+00 
2.94 -5.240355410e+00 
2.96 -5.133099494e+00 
2.98 -5.026269419e+00 
3.00 -4.918456921e+00 
3.02 -4.815596632e+00 
3.04 -4.725079706e+00 
3.06 -4.646635689e+00 
3.08 -4.575759234e+00 
3.10 -4.507708208e+00 
3.12 -4.435382824e+00 
3.14 -4.361225534e+00 
3.16 -4.292283108e+00 
3.18 -4.232925013e+00 
3.20 -4.185193552e+00 
3.22 -4.146335851e+00 
3.24 -4.119150829e+00 
3.26 -4.100296004e+00 
3.28 -4.078830703e+00 
3.30 -4.047357781e+00 
3.32 -4.001920819e+00 
3.34 -3.949576845e+00 
3.36 -3.894090625e+00 
3.38 -3.836467948e+00 
3.40 -3.777243874e+00 
3.42 -3.714671743e+00 
3.44 -3.646260307e+00 
3.46 -3.569370807e+00 
3.48 -3.481474107e+00 
3.50 -3.385593442e+00 
3.52 -3.289772084e+00 
3.54 -3.202623883e+00 
3.56 -3.133138501e+00 
3.58 -3.081397396e+00 
3.60 -3.036810723e+00 
3.62 -2.987209605e+00 
3.64 -2.919704776e+00 
3.66 -2.829065095e+00 
3.68 -2.721976921e+00 
3.70 -2.607555470e+00 
3.72 -2.497486945e+00 
3.74 -2.401359724e+00 
3.76 -2.319758113e+00 
3.78 -2.250310376e+00 
3.80 -2.189439664e+00 
3.82 -2.131575359e+00 
3.84 -2.076682517e+00 
3.86 -2.027380652e+00 
3.88 -1.979718764e+00 
3.90 -1.923630377e+00 
3.92 -1.860376101e+00 
3.94 -1.800557192e+00 
3.96 -1.748023624e+00 
3.98 -1.699311061e+00 
4.00 -1.651993066e+00 
4.02 -1.605328546e+00 
4.04 -1.559013762e+00 
4.06 -1.512661593e+00 
4.08 -1.466296139e+00 
4.10 -1.421001047e+00 
4.12 -1.377875722e+00 
4.14 -1.337717932e+00 
4.16 -1.301472429e+00 
4.18 -1.270237190e+00 
4.20 -1.244562115e+00 
4.22 -1.224000985e+00 
4.24 -1.207973022e+00 
4.26 -1.195975779e+00 
4.28 -1.187401217e+00 
4.30 -1.181569532e+00 
4.32 -1.177759935e+00 
4.34 -1.175415457e+00 
4.36 -1.174480218e+00 
4.38 -1.174924055e+00 
4.40 -1.176705186e+00 
4.42 -1.179770984e+00 
4.44 -1.184066019e+00 
4.46 -1.189294656e+00 
4.48 -1.194814451e+00 
4.50 -1.200799652e+00 
4.52 -1.207573239e+00 
4.54 -1.215438581e+00 
4.56 -1.224669639e+00 
4.58 -1.235605780e+00 
4.60 -1.248652156e+00 
4.62 -1.263230955e+00 
4.64 -1.277763375e+00 
4.66 -1.290727761e+00 
4.68 -1.300805901e+00 
4.70 -1.307089414e+00 
4.72 -1.309055593e+00 
4.74 -1.306375483e+00 
4.76 -1.299386319e+00 
4.78 -1.288710828e+00 
4.80 -1.274842302e+00 
4.82 -1.257994542e+00 
4.84 -1.238238243e+00 
4.86 -1.215615788e+00 
4.88 -1.190253541e+00 
4.90 -1.162293814e+00 
4.92 -1.132031424e+00 
4.94 -1.100598791e+00 
4.96 -1.069395357e+00 
4.98 -1.039841162e+00 
5.00 -1.013293654e+00 
5.02 -9.898975920e-01 
5.04 -9.674391122e-01 
5.06 -9.438075699e-01 
5.08 -9.178157547e-01 
5.10 -8.893303386e-01 
5.12 -8.592075281e-01 
5.14 -8.291882175e-01 
5.16 -8.010766135e-01 
5.18 -7.754207914e-01 
5.20 -7.522719154e-01 
5.22 -7.308593969e-01 
5.24 -7.101287920e-01 
5.26 -6.890852440e-01 
5.28 -6.676742919e-01 
5.30 -6.464447614e-01 
5.32 -6.258463503e-01 
5.34 -6.063609473e-01 
5.36 -5.884937734e-01 
5.38 -5.717184210e-01 
5.40 -5.520597038e-01 
5.42 -5.288113302e-01 
5.44 -5.027044824e-01 
5.46 -4.746064587e-01 
5.48 -4.453974945e-01 
5.50 -4.159736412e-01 
5.52 -3.872333955e-01 
5.54 -3.600203472e-01 
5.56 -3.342906706e-01 
5.58 -3.092468291e-01 
5.60 -2.840557348e-01 
5.62 -2.578850378e-01 
5.64 -2.299117729e-01 
5.66 -1.992750906e-01 
5.68 -1.654029453e-01 
5.70 -1.297774438e-01 
5.72 -9.480392441e-02 
5.74 -6.288010437e-02 
5.76 -3.631588358e-02 
5.78 -1.729865576e-02 
5.80 -7.876732893e-03 
5.82 -8.912026118e-03 
5.84 -1.830203713e-02 
5.86 -3.344053308e-02 
5.88 -5.180666572e-02 
5.90 -7.099791391e-02 
5.92 -8.872978852e-02 
5.94 -1.027927197e-01 
5.96 -1.119441970e-01 
5.98 -1.163047551e-01 
6.00 -1.159068180e-01