# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2024--Mendelev-M-I--Ni-Ti
# implementation = 2024--Mendelev-M-I--Ni-Ti--LAMMPS--ipr1
# composition = Ni2Ti
# 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 2024-11-27

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  9.807825352e+03 
1.06  8.976323714e+03 
1.08  8.206333393e+03 
1.10  7.492419078e+03 
1.12  6.829595863e+03 
1.14  6.213352838e+03 
1.16  5.639687912e+03 
1.18  5.105033870e+03 
1.20  4.606213730e+03 
1.22  4.140380418e+03 
1.24  3.704953274e+03 
1.26  3.297586013e+03 
1.28  2.916110687e+03 
1.30  2.558527760e+03 
1.32  2.223002617e+03 
1.34  1.907854112e+03 
1.36  1.611569152e+03 
1.38  1.332790190e+03 
1.40  1.073085185e+03 
1.42  8.543896032e+02 
1.44  6.720042728e+02 
1.46  5.168497118e+02 
1.48  3.823727206e+02 
1.50  2.713927769e+02 
1.52  1.932429335e+02 
1.54  1.387962799e+02 
1.56  1.009669602e+02 
1.58  7.471813149e+01 
1.60  5.648464833e+01 
1.62  4.375595193e+01 
1.64  3.477539466e+01 
1.66  2.832395191e+01 
1.68  2.356408129e+01 
1.70  1.992502244e+01 
1.72  1.702023304e+01 
1.74  1.459622478e+01 
1.76  1.249666165e+01 
1.78  1.063087086e+01 
1.80  8.946011331e+00 
1.82  7.410998508e+00 
1.84  6.005701538e+00 
1.86  4.713713847e+00 
1.88  3.518509617e+00 
1.90  2.407521119e+00 
1.92  1.375545742e+00 
1.94  4.219831526e-01 
1.96 -4.527136121e-01 
1.98 -1.248596876e+00 
2.00 -1.966468740e+00 
2.02 -2.607844668e+00 
2.04 -3.175148370e+00 
2.06 -3.671800259e+00 
2.08 -4.102372533e+00 
2.10 -4.472702755e+00 
2.12 -4.793165553e+00 
2.14 -5.073269549e+00 
2.16 -5.317355769e+00 
2.18 -5.528938332e+00 
2.20 -5.710852056e+00 
2.22 -5.865427038e+00 
2.24 -5.994665575e+00 
2.26 -6.099779807e+00 
2.28 -6.179967943e+00 
2.30 -6.236559371e+00 
2.32 -6.275151002e+00 
2.34 -6.297023021e+00 
2.36 -6.298554965e+00 
2.38 -6.278376764e+00 
2.40 -6.238646833e+00 
2.42 -6.184155391e+00 
2.44 -6.120461917e+00 
2.46 -6.051820207e+00 
2.48 -5.980968119e+00 
2.50 -5.909218979e+00 
2.52 -5.836840851e+00 
2.54 -5.763521510e+00 
2.56 -5.688869668e+00 
2.58 -5.612847125e+00 
2.60 -5.535788323e+00 
2.62 -5.458287853e+00 
2.64 -5.381063694e+00 
2.66 -5.304786496e+00 
2.68 -5.229925752e+00 
2.70 -5.156763346e+00 
2.72 -5.085457175e+00 
2.74 -5.016062885e+00 
2.76 -4.948551074e+00 
2.78 -4.882806441e+00 
2.80 -4.818618773e+00 
2.82 -4.755701058e+00 
2.84 -4.693723026e+00 
2.86 -4.632358648e+00 
2.88 -4.571347835e+00 
2.90 -4.510572192e+00 
2.92 -4.450144268e+00 
2.94 -4.390509373e+00 
2.96 -4.332496574e+00 
2.98 -4.276826941e+00 
3.00 -4.223699592e+00 
3.02 -4.172902378e+00 
3.04 -4.123956033e+00 
3.06 -4.076244808e+00 
3.08 -4.029106871e+00 
3.10 -3.981901901e+00 
3.12 -3.934060383e+00 
3.14 -3.885116768e+00 
3.16 -3.834728377e+00 
3.18 -3.782681511e+00 
3.20 -3.728887476e+00 
3.22 -3.673370130e+00 
3.24 -3.616246096e+00 
3.26 -3.557698972e+00 
3.28 -3.497948740e+00 
3.30 -3.437217422e+00 
3.32 -3.375693378e+00 
3.34 -3.313543601e+00 
3.36 -3.250984492e+00 
3.38 -3.188273988e+00 
3.40 -3.125684350e+00 
3.42 -3.063479892e+00 
3.44 -3.001899872e+00 
3.46 -2.941146562e+00 
3.48 -2.881378360e+00 
3.50 -2.822707689e+00 
3.52 -2.765203313e+00 
3.54 -2.708896553e+00 
3.56 -2.653790770e+00 
3.58 -2.599873363e+00 
3.60 -2.547129387e+00 
3.62 -2.495555243e+00 
3.64 -2.445161905e+00 
3.66 -2.395969062e+00 
3.68 -2.348006151e+00 
3.70 -2.301308024e+00 
3.72 -2.255898565e+00 
3.74 -2.211783729e+00 
3.76 -2.168952491e+00 
3.78 -2.127378191e+00 
3.80 -2.087020000e+00 
3.82 -2.047824480e+00 
3.84 -2.009727229e+00 
3.86 -1.972654604e+00 
3.88 -1.936525538e+00 
3.90 -1.901253449e+00 
3.92 -1.866748276e+00 
3.94 -1.832918663e+00 
3.96 -1.799674329e+00 
3.98 -1.766928673e+00 
4.00 -1.734601667e+00 
4.02 -1.702623092e+00 
4.04 -1.670936197e+00 
4.06 -1.639501845e+00 
4.08 -1.608303255e+00 
4.10 -1.577351397e+00 
4.12 -1.546691182e+00 
4.14 -1.516408528e+00 
4.16 -1.486638431e+00 
4.18 -1.457561963e+00 
4.20 -1.429330715e+00 
4.22 -1.402020765e+00 
4.24 -1.375646236e+00 
4.26 -1.350173576e+00 
4.28 -1.325532168e+00 
4.30 -1.301624682e+00 
4.32 -1.278336297e+00 
4.34 -1.255542607e+00 
4.36 -1.233116222e+00 
4.38 -1.210932208e+00 
4.40 -1.188872509e+00 
4.42 -1.166829385e+00 
4.44 -1.144708001e+00 
4.46 -1.122428238e+00 
4.48 -1.099925836e+00 
4.50 -1.077152918e+00 
4.52 -1.054078014e+00 
4.54 -1.030685617e+00 
4.56 -1.006975444e+00 
4.58 -9.829612965e-01 
4.60 -9.586695079e-01 
4.62 -9.341376508e-01 
4.64 -9.094130741e-01 
4.66 -8.845500915e-01 
4.68 -8.596099567e-01 
4.70 -8.346569235e-01 
4.72 -8.097587248e-01 
4.74 -7.849824035e-01 
4.76 -7.603963900e-01 
4.78 -7.360628845e-01 
4.80 -7.120467940e-01 
4.82 -6.883997898e-01 
4.84 -6.651742388e-01 
4.86 -6.424210876e-01 
4.88 -6.201628792e-01 
4.90 -5.984367291e-01 
4.92 -5.772802913e-01 
4.94 -5.566517510e-01 
4.96 -5.364452771e-01 
4.98 -5.168593584e-01 
5.00 -4.980378316e-01 
5.02 -4.800725145e-01 
5.04 -4.631021182e-01 
5.06 -4.469775083e-01 
5.08 -4.312467687e-01 
5.10 -4.155733549e-01 
5.12 -3.997092879e-01 
5.14 -3.837052680e-01 
5.16 -3.676463458e-01 
5.18 -3.516348124e-01 
5.20 -3.357673443e-01 
5.22 -3.199856974e-01 
5.24 -3.042717384e-01 
5.26 -2.886548076e-01 
5.28 -2.731935604e-01 
5.30 -2.579617366e-01 
5.32 -2.430180145e-01 
5.34 -2.285533595e-01 
5.36 -2.147450323e-01 
5.38 -2.016964650e-01 
5.40 -1.894573899e-01 
5.42 -1.780393521e-01 
5.44 -1.674275326e-01 
5.46 -1.575896453e-01 
5.48 -1.484825335e-01 
5.50 -1.400569761e-01 
5.52 -1.322611138e-01 
5.54 -1.250428259e-01 
5.56 -1.183513210e-01 
5.58 -1.121381465e-01 
5.60 -1.063577793e-01 
5.62 -1.009679206e-01 
5.64 -9.592958934e-02 
5.66 -9.120708382e-02 
5.68 -8.676786288e-02 
5.70 -8.258238336e-02 
5.72 -7.862391872e-02 
5.74 -7.486837579e-02 
5.76 -7.129411978e-02 
5.78 -6.788181345e-02 
5.80 -6.461427281e-02 
5.82 -6.147633986e-02 
5.84 -5.845477121e-02 
5.86 -5.553814087e-02 
5.88 -5.271675494e-02 
5.90 -4.998257600e-02 
5.92 -4.732915514e-02 
5.94 -4.475156950e-02 
5.96 -4.224636399e-02 
5.98 -3.981149573e-02 
6.00 -3.744628041e-02