# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2023--Liang-A-Goodelman-D-C-Hodge-A-M-et-al--Fe-Ni-Cr-Co-Ti
# implementation = 2023--Liang-A--Fe-Ni-Cr-Co-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 2024-03-01

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 -1.233094512e+02 
0.92 -1.174435290e+02 
0.94 -1.121456908e+02 
0.96 -1.071991373e+02 
0.98 -1.025004335e+02 
1.00 -9.776729088e+01 
1.02 -9.285179757e+01 
1.04 -8.807199276e+01 
1.06 -8.357925701e+01 
1.08 -7.926468908e+01 
1.10 -7.516599730e+01 
1.12 -7.125242125e+01 
1.14 -6.740343143e+01 
1.16 -6.363761177e+01 
1.18 -6.003561416e+01 
1.20 -5.656390093e+01 
1.22 -5.330431737e+01 
1.24 -5.045278461e+01 
1.26 -4.797851664e+01 
1.28 -4.565593565e+01 
1.30 -4.345958037e+01 
1.32 -4.157062223e+01 
1.34 -4.007774571e+01 
1.36 -3.889250385e+01 
1.38 -3.789667129e+01 
1.40 -3.704877431e+01 
1.42 -3.636535035e+01 
1.44 -3.586067180e+01 
1.46 -3.546898013e+01 
1.48 -3.505573646e+01 
1.50 -3.448608291e+01 
1.52 -3.369603171e+01 
1.54 -3.271485125e+01 
1.56 -3.160759016e+01 
1.58 -3.044034492e+01 
1.60 -2.926898276e+01 
1.62 -2.810089827e+01 
1.64 -2.687214158e+01 
1.66 -2.549299360e+01 
1.68 -2.390667713e+01 
1.70 -2.213008385e+01 
1.72 -2.021252119e+01 
1.74 -1.817637699e+01 
1.76 -1.604144482e+01 
1.78 -1.387986862e+01 
1.80 -1.175427038e+01 
1.82 -9.715232479e+00 
1.84 -7.788594840e+00 
1.86 -6.116929171e+00 
1.88 -4.909381456e+00 
1.90 -4.050056199e+00 
1.92 -3.450315554e+00 
1.94 -3.049011277e+00 
1.96 -2.799469950e+00 
1.98 -2.660627562e+00 
2.00 -2.598087499e+00 
2.02 -2.583721928e+00 
2.04 -2.593582343e+00 
2.06 -2.607436012e+00 
2.08 -2.609393638e+00 
2.10 -2.604685061e+00 
2.12 -2.629712454e+00 
2.14 -2.702501768e+00 
2.16 -2.807275508e+00 
2.18 -2.925875698e+00 
2.20 -3.043379656e+00 
2.22 -3.149866659e+00 
2.24 -3.241537509e+00 
2.26 -3.319335211e+00 
2.28 -3.384611221e+00 
2.30 -3.438647388e+00 
2.32 -3.483156743e+00 
2.34 -3.519687468e+00 
2.36 -3.549542933e+00 
2.38 -3.573774299e+00 
2.40 -3.593026525e+00 
2.42 -3.607676272e+00 
2.44 -3.617941681e+00 
2.46 -3.624001851e+00 
2.48 -3.626503480e+00 
2.50 -3.626324556e+00 
2.52 -3.623792703e+00 
2.54 -3.618856658e+00 
2.56 -3.611368778e+00 
2.58 -3.601174801e+00 
2.60 -3.588261740e+00 
2.62 -3.572551963e+00 
2.64 -3.553930884e+00 
2.66 -3.532448103e+00 
2.68 -3.508149220e+00 
2.70 -3.481123799e+00 
2.72 -3.451540446e+00 
2.74 -3.419513750e+00 
2.76 -3.385036851e+00 
2.78 -3.348198733e+00 
2.80 -3.309125622e+00 
2.82 -3.268073034e+00 
2.84 -3.225448156e+00 
2.86 -3.181560468e+00 
2.88 -3.136456834e+00 
2.90 -3.090059135e+00 
2.92 -3.042381956e+00 
2.94 -2.993234419e+00 
2.96 -2.942356193e+00 
2.98 -2.889610184e+00 
3.00 -2.835012639e+00 
3.02 -2.778709497e+00 
3.04 -2.720940100e+00 
3.06 -2.661916579e+00 
3.08 -2.601642213e+00 
3.10 -2.540021704e+00 
3.12 -2.476977469e+00 
3.14 -2.412457832e+00 
3.16 -2.346452960e+00 
3.18 -2.279016095e+00 
3.20 -2.210249425e+00 
3.22 -2.140212267e+00 
3.24 -2.069070745e+00 
3.26 -1.997143672e+00 
3.28 -1.924893842e+00 
3.30 -1.852893161e+00 
3.32 -1.781745609e+00 
3.34 -1.711980494e+00 
3.36 -1.643965711e+00 
3.38 -1.577844414e+00 
3.40 -1.513557354e+00 
3.42 -1.450980285e+00 
3.44 -1.389918250e+00 
3.46 -1.330173379e+00 
3.48 -1.271608988e+00 
3.50 -1.214180222e+00 
3.52 -1.157931735e+00 
3.54 -1.102963382e+00 
3.56 -1.049421249e+00 
3.58 -9.974373444e-01 
3.60 -9.470684458e-01 
3.62 -8.983539776e-01 
3.64 -8.513300273e-01 
3.66 -8.060533442e-01 
3.68 -7.625819413e-01 
3.70 -7.209656960e-01 
3.72 -6.812306280e-01 
3.74 -6.433507548e-01 
3.76 -6.072849593e-01 
3.78 -5.729852084e-01 
3.80 -5.403966442e-01 
3.82 -5.094578716e-01 
3.84 -4.801013068e-01 
3.86 -4.522565019e-01 
3.88 -4.258759830e-01 
3.90 -4.009224708e-01 
3.92 -3.773549800e-01 
3.94 -3.551282847e-01 
3.96 -3.341931888e-01 
3.98 -3.144971282e-01 
4.00 -2.959842119e-01 
4.02 -2.786029558e-01 
4.04 -2.623184836e-01 
4.06 -2.470968823e-01 
4.08 -2.329019080e-01 
4.10 -2.196955531e-01 
4.12 -2.074378994e-01 
4.14 -1.960778301e-01 
4.16 -1.855472689e-01 
4.18 -1.757760223e-01 
4.20 -1.666973137e-01 
4.22 -1.582650810e-01 
4.24 -1.504406531e-01 
4.26 -1.431860606e-01 
4.28 -1.364614032e-01 
4.30 -1.302151844e-01 
4.32 -1.243958289e-01 
4.34 -1.189559833e-01 
4.36 -1.138397856e-01 
4.38 -1.089263483e-01 
4.40 -1.041498397e-01 
4.42 -9.950093129e-02 
4.44 -9.499932959e-02 
4.46 -9.067496542e-02 
4.48 -8.655575614e-02 
4.50 -8.266130128e-02 
4.52 -7.900050251e-02 
4.54 -7.557233166e-02 
4.56 -7.236759090e-02 
4.58 -6.937263681e-02 
4.60 -6.657308245e-02 
4.62 -6.395677328e-02 
4.64 -6.151566114e-02 
4.66 -5.924607241e-02 
4.68 -5.714786484e-02 
4.70 -5.522508923e-02 
4.72 -5.348995712e-02 
4.74 -5.195211255e-02 
4.76 -5.061451862e-02 
4.78 -4.946348556e-02 
4.80 -4.846368639e-02 
4.82 -4.757746379e-02 
4.84 -4.676861044e-02 
4.86 -4.600016630e-02 
4.88 -4.523754787e-02 
4.90 -4.445015008e-02 
4.92 -4.361245326e-02 
4.94 -4.270437899e-02 
4.96 -4.171075182e-02 
4.98 -4.062096087e-02 
5.00 -3.942813197e-02 
5.02 -3.813051049e-02 
5.04 -3.673810873e-02 
5.06 -3.525424860e-02 
5.08 -3.367700766e-02 
5.10 -3.200567714e-02 
5.12 -3.024128951e-02 
5.14 -2.838720886e-02 
5.16 -2.644936467e-02 
5.18 -2.443706598e-02 
5.20 -2.236334264e-02 
5.22 -2.024249924e-02 
5.24 -1.808659972e-02 
5.26 -1.591206030e-02 
5.28 -1.374084203e-02 
5.30 -1.160000783e-02 
5.32 -9.520964668e-03 
5.34 -7.538371116e-03 
5.36 -5.688001077e-03 
5.38 -4.004447726e-03 
5.40 -2.518285726e-03 
5.42 -1.253188301e-03 
5.44 -2.234262299e-04 
5.46  5.678518927e-04 
5.48  1.129569134e-03 
5.50  1.484976419e-03 
5.52  1.667140490e-03 
5.54  1.710977071e-03 
5.56  1.643314794e-03 
5.58  1.492393316e-03 
5.60  1.287214197e-03 
5.62  1.055054252e-03 
5.64  8.194679313e-04 
5.66  5.994333655e-04 
5.68  4.083801168e-04 
5.70  2.543610878e-04 
5.72  1.402830069e-04 
5.74  6.454172315e-05 
5.76  2.182245239e-05 
5.78  3.749102795e-06 
5.80  6.675689657e-09 
5.82  0.000000000e+00 
5.84  0.000000000e+00 
5.86  0.000000000e+00 
5.88  0.000000000e+00 
5.90  0.000000000e+00 
5.92  0.000000000e+00 
5.94  0.000000000e+00 
5.96  0.000000000e+00 
5.98  0.000000000e+00 
6.00  0.000000000e+00