# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr
# implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1
# composition = Fe2Ti
# 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 2024-04-11

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  nan             
0.98  nan             
1.00  nan             
1.02  nan             
1.04  nan             
1.06  nan             
1.08  nan             
1.10  nan             
1.12  nan             
1.14  2.685242227e+02 
1.16  2.450111837e+02 
1.18  2.236105982e+02 
1.20  2.041145633e+02 
1.22  1.863383629e+02 
1.24  1.701183655e+02 
1.26  1.553076519e+02 
1.28  1.417725160e+02 
1.30  1.293910902e+02 
1.32  1.180534883e+02 
1.34  1.076623982e+02 
1.36  9.813297104e+01 
1.38  8.939129719e+01 
1.40  8.137198045e+01 
1.42  7.401602041e+01 
1.44  6.726977501e+01 
1.46  6.108471990e+01 
1.48  5.541711318e+01 
1.50  5.022716313e+01 
1.52  4.547796992e+01 
1.54  4.113466305e+01 
1.56  3.716395000e+01 
1.58  3.353404350e+01 
1.60  3.021547950e+01 
1.62  2.718066070e+01 
1.64  2.440420303e+01 
1.66  2.186298985e+01 
1.68  1.953608509e+01 
1.70  1.740458915e+01 
1.72  1.545153308e+01 
1.74  1.366182247e+01 
1.76  1.202213038e+01 
1.78  1.052066113e+01 
1.80  9.146840622e+00 
1.82  7.891045940e+00 
1.84  6.744415973e+00 
1.86  5.698719307e+00 
1.88  4.746241932e+00 
1.90  3.879680997e+00 
1.92  3.092050908e+00 
1.94  2.376625859e+00 
1.96  1.726937877e+00 
1.98  1.136825243e+00 
2.00  6.004976652e-01 
2.02  1.125911758e-01 
2.04 -3.317862534e-01 
2.06 -7.370074367e-01 
2.08 -1.106882575e+00 
2.10 -1.444644341e+00 
2.12 -1.752983813e+00 
2.14 -2.034137988e+00 
2.16 -2.290003920e+00 
2.18 -2.522248742e+00 
2.20 -2.732395205e+00 
2.22 -2.921879047e+00 
2.24 -3.092083174e+00 
2.26 -3.244355927e+00 
2.28 -3.380017246e+00 
2.30 -3.500397162e+00 
2.32 -3.606764561e+00 
2.34 -3.700157740e+00 
2.36 -3.781534578e+00 
2.38 -3.851758147e+00 
2.40 -3.911595315e+00 
2.42 -3.961731595e+00 
2.44 -4.002743594e+00 
2.46 -4.034993512e+00 
2.48 -4.058836796e+00 
2.50 -4.074663973e+00 
2.52 -4.082916339e+00 
2.54 -4.084074707e+00 
2.56 -4.078643446e+00 
2.58 -4.067133586e+00 
2.60 -4.050047825e+00 
2.62 -4.027810097e+00 
2.64 -4.000505039e+00 
2.66 -3.968143842e+00 
2.68 -3.930782241e+00 
2.70 -3.888513183e+00 
2.72 -3.841464061e+00 
2.74 -3.789797677e+00 
2.76 -3.733715636e+00 
2.78 -3.673462460e+00 
2.80 -3.609328812e+00 
2.82 -3.541651026e+00 
2.84 -3.470806631e+00 
2.86 -3.397204419e+00 
2.88 -3.321270274e+00 
2.90 -3.243430836e+00 
2.92 -3.164097955e+00 
2.94 -3.083656805e+00 
2.96 -3.002459443e+00 
2.98 -2.920823825e+00 
3.00 -2.839036374e+00 
3.02 -2.757355100e+00 
3.04 -2.676010470e+00 
3.06 -2.595203018e+00 
3.08 -2.515099122e+00 
3.10 -2.435828161e+00 
3.12 -2.357484153e+00 
3.14 -2.280133664e+00 
3.16 -2.203827779e+00 
3.18 -2.128616893e+00 
3.20 -2.054563835e+00 
3.22 -1.981753282e+00 
3.24 -1.910295940e+00 
3.26 -1.840327219e+00 
3.28 -1.772001007e+00 
3.30 -1.705479808e+00 
3.32 -1.640922881e+00 
3.34 -1.578474178e+00 
3.36 -1.518251806e+00 
3.38 -1.460340400e+00 
3.40 -1.404787232e+00 
3.42 -1.351602471e+00 
3.44 -1.300762792e+00 
3.46 -1.252217999e+00 
3.48 -1.205898975e+00 
3.50 -1.161725738e+00 
3.52 -1.119614266e+00 
3.54 -1.079481111e+00 
3.56 -1.041245346e+00 
3.58 -1.004828093e+00 
3.60 -9.701504523e-01 
3.62 -9.371309921e-01 
3.64 -9.056839140e-01 
3.66 -8.757185833e-01 
3.68 -8.471405522e-01 
3.70 -8.198537146e-01 
3.72 -7.937629820e-01 
3.74 -7.687768784e-01 
3.76 -7.448096371e-01 
3.78 -7.217823086e-01 
3.80 -6.996238376e-01 
3.82 -6.782716825e-01 
3.84 -6.576705062e-01 
3.86 -6.377717163e-01 
3.88 -6.185328054e-01 
3.90 -5.999166022e-01 
3.92 -5.818905232e-01 
3.94 -5.644258747e-01 
3.96 -5.474972317e-01 
3.98 -5.310818993e-01 
4.00 -5.151594568e-01 
4.02 -4.997113755e-01 
4.04 -4.847207042e-01 
4.06 -4.701718092e-01 
4.08 -4.560501636e-01 
4.10 -4.423420703e-01 
4.12 -4.290349592e-01 
4.14 -4.161165845e-01 
4.16 -4.035754182e-01 
4.18 -3.914004461e-01 
4.20 -3.795811073e-01 
4.22 -3.681072443e-01 
4.24 -3.569690633e-01 
4.26 -3.461571006e-01 
4.28 -3.356621953e-01 
4.30 -3.254754673e-01 
4.32 -3.155882980e-01 
4.34 -3.059923151e-01 
4.36 -2.966793790e-01 
4.38 -2.876415717e-01 
4.40 -2.788711874e-01 
4.42 -2.703607234e-01 
4.44 -2.621028735e-01 
4.46 -2.540905210e-01 
4.48 -2.463167327e-01 
4.50 -2.387747539e-01 
4.52 -2.314580031e-01 
4.54 -2.243600674e-01 
4.56 -2.174746981e-01 
4.58 -2.107958067e-01 
4.60 -2.043174605e-01 
4.62 -1.980338789e-01 
4.64 -1.919394292e-01 
4.66 -1.860286232e-01 
4.68 -1.802961131e-01 
4.70 -1.747366875e-01 
4.72 -1.693452679e-01 
4.74 -1.641169047e-01 
4.76 -1.590467731e-01 
4.78 -1.541301691e-01 
4.80 -1.493624496e-01 
4.82 -1.447392614e-01 
4.84 -1.402561708e-01 
4.86 -1.359089155e-01 
4.88 -1.316933319e-01 
4.90 -1.276053506e-01 
4.92 -1.236409914e-01 
4.94 -1.197963579e-01 
4.96 -1.160676323e-01 
4.98 -1.124510693e-01 
5.00 -1.089429904e-01 
5.02 -1.055397772e-01 
5.04 -1.022378654e-01 
5.06 -9.903373721e-02 
5.08 -9.592391443e-02 
5.10 -9.290495081e-02 
5.12 -8.997342409e-02 
5.14 -8.712592791e-02 
5.16 -8.435906333e-02 
5.18 -8.166943035e-02 
5.20 -7.905361932e-02 
5.22 -7.650820248e-02 
5.24 -7.402972584e-02 
5.26 -7.161470171e-02 
5.28 -6.925960216e-02 
5.30 -6.696085392e-02 
5.32 -6.471483533e-02 
5.34 -6.251787601e-02 
5.36 -6.036626007e-02 
5.38 -5.825623399e-02 
5.40 -5.618402025e-02 
5.42 -5.414583814e-02 
5.44 -5.213793308e-02 
5.46 -5.015661608e-02 
5.48 -4.819831471e-02 
5.50 -4.625963692e-02 
5.52 -4.433744842e-02 
5.54 -4.242896438e-02 
5.56 -4.053185252e-02 
5.58 -3.864434817e-02 
5.60 -3.676537584e-02 
5.62 -3.489467126e-02 
5.64 -3.303289569e-02 
5.66 -3.118173249e-02 
5.68 -2.934395382e-02 
5.70 -2.752344552e-02 
5.72 -2.572517818e-02 
5.74 -2.395511580e-02 
5.76 -2.222005115e-02 
5.78 -2.052706351e-02 
5.80 -1.888382835e-02 
5.82 -1.729825533e-02 
5.84 -1.577790507e-02 
5.86 -1.432965513e-02 
5.88 -1.295940163e-02 
5.90 -1.167182006e-02 
5.92 -1.047020229e-02 
5.94 -9.356378387e-03 
5.96 -8.330722803e-03 
5.98 -7.392236381e-03 
6.00 -6.538689581e-03