# 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 = CuTi2
# 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  2.346536055e+02 
1.16  2.158018423e+02 
1.18  1.985021304e+02 
1.20  1.826142973e+02 
1.22  1.680108689e+02 
1.24  1.545775281e+02 
1.26  1.422132865e+02 
1.28  1.308293632e+02 
1.30  1.203459385e+02 
1.32  1.106889256e+02 
1.34  1.017890166e+02 
1.36  9.358237342e+01 
1.38  8.601108571e+01 
1.40  7.902279751e+01 
1.42  7.257003471e+01 
1.44  6.660978036e+01 
1.46  6.110313609e+01 
1.48  5.601465927e+01 
1.50  5.131160168e+01 
1.52  4.696348395e+01 
1.54  4.294201625e+01 
1.56  3.922113734e+01 
1.58  3.577701357e+01 
1.60  3.258805044e+01 
1.62  2.963537254e+01 
1.64  2.690190193e+01 
1.66  2.437223415e+01 
1.68  2.203225896e+01 
1.70  1.986882158e+01 
1.72  1.786961885e+01 
1.74  1.602312783e+01 
1.76  1.431852342e+01 
1.78  1.274552562e+01 
1.80  1.129433238e+01 
1.82  9.955705071e+00 
1.84  8.721094373e+00 
1.86  7.582678919e+00 
1.88  6.533291650e+00 
1.90  5.566297539e+00 
1.92  4.675493411e+00 
1.94  3.855073665e+00 
1.96  3.099663903e+00 
1.98  2.404377141e+00 
2.00  1.764823602e+00 
2.02  1.177041756e+00 
2.04  6.373861160e-01 
2.06  1.424396236e-01 
2.08 -3.110080205e-01 
2.10 -7.259291564e-01 
2.12 -1.105023526e+00 
2.14 -1.450719605e+00 
2.16 -1.765216412e+00 
2.18 -2.050547662e+00 
2.20 -2.308648179e+00 
2.22 -2.541411664e+00 
2.24 -2.750730185e+00 
2.26 -2.938507195e+00 
2.28 -3.106640616e+00 
2.30 -3.256980230e+00 
2.32 -3.391274095e+00 
2.34 -3.511114553e+00 
2.36 -3.617897177e+00 
2.38 -3.712801560e+00 
2.40 -3.796900297e+00 
2.42 -3.871026698e+00 
2.44 -3.935669878e+00 
2.46 -3.991292272e+00 
2.48 -4.038355956e+00 
2.50 -4.077334308e+00 
2.52 -4.108712390e+00 
2.54 -4.132973200e+00 
2.56 -4.150411279e+00 
2.58 -4.161137211e+00 
2.60 -4.165315614e+00 
2.62 -4.163165162e+00 
2.64 -4.154950709e+00 
2.66 -4.140979218e+00 
2.68 -4.121598021e+00 
2.70 -4.097415699e+00 
2.72 -4.068800267e+00 
2.74 -4.035908698e+00 
2.76 -3.998944929e+00 
2.78 -3.958141551e+00 
2.80 -3.913746013e+00 
2.82 -3.866011678e+00 
2.84 -3.815195622e+00 
2.86 -3.761561473e+00 
2.88 -3.705401170e+00 
2.90 -3.647024335e+00 
2.92 -3.586740808e+00 
2.94 -3.524856436e+00 
2.96 -3.461668001e+00 
2.98 -3.397459185e+00 
3.00 -3.332498697e+00 
3.02 -3.267039748e+00 
3.04 -3.201318728e+00 
3.06 -3.135552281e+00 
3.08 -3.069930862e+00 
3.10 -3.004613422e+00 
3.12 -2.939723280e+00 
3.14 -2.875347894e+00 
3.16 -2.811541587e+00 
3.18 -2.748331214e+00 
3.20 -2.685722425e+00 
3.22 -2.623705716e+00 
3.24 -2.562261652e+00 
3.26 -2.501365145e+00 
3.28 -2.440988945e+00 
3.30 -2.381106573e+00 
3.32 -2.321694852e+00 
3.34 -2.262736124e+00 
3.36 -2.204220225e+00 
3.38 -2.146146276e+00 
3.40 -2.088524336e+00 
3.42 -2.031377270e+00 
3.44 -1.974742217e+00 
3.46 -1.918672428e+00 
3.48 -1.863238425e+00 
3.50 -1.808528148e+00 
3.52 -1.754645319e+00 
3.54 -1.701705362e+00 
3.56 -1.649828737e+00 
3.58 -1.599132223e+00 
3.60 -1.549719496e+00 
3.62 -1.501672754e+00 
3.64 -1.455047005e+00 
3.66 -1.409867991e+00 
3.68 -1.366133711e+00 
3.70 -1.323818751e+00 
3.72 -1.282880146e+00 
3.74 -1.243263556e+00 
3.76 -1.204908809e+00 
3.78 -1.167754311e+00 
3.80 -1.131740163e+00 
3.82 -1.096810097e+00 
3.84 -1.062912427e+00 
3.86 -1.030000296e+00 
3.88 -9.980314366e-01 
3.90 -9.669676446e-01 
3.92 -9.367740426e-01 
3.94 -9.074186577e-01 
3.96 -8.788712948e-01 
3.98 -8.511032468e-01 
4.00 -8.240866966e-01 
4.02 -7.977943027e-01 
4.04 -7.721988886e-01 
4.06 -7.472732288e-01 
4.08 -7.229899317e-01 
4.10 -6.993213382e-01 
4.12 -6.762399121e-01 
4.14 -6.537179009e-01 
4.16 -6.317279624e-01 
4.18 -6.102434492e-01 
4.20 -5.892389016e-01 
4.22 -5.686906542e-01 
4.24 -5.485775431e-01 
4.26 -5.288816927e-01 
4.28 -5.095893354e-01 
4.30 -4.906916041e-01 
4.32 -4.721852091e-01 
4.34 -4.540729015e-01 
4.36 -4.363636171e-01 
4.38 -4.190722047e-01 
4.40 -4.022186780e-01 
4.42 -3.858269798e-01 
4.44 -3.699233128e-01 
4.46 -3.545341624e-01 
4.48 -3.396841938e-01 
4.50 -3.253942359e-01 
4.52 -3.116795618e-01 
4.54 -2.985486320e-01 
4.56 -2.860024022e-01 
4.58 -2.740342145e-01 
4.60 -2.626302175e-01 
4.62 -2.517702070e-01 
4.64 -2.414287470e-01 
4.66 -2.315764325e-01 
4.68 -2.221811694e-01 
4.70 -2.132093814e-01 
4.72 -2.046270858e-01 
4.74 -1.964008141e-01 
4.76 -1.884983762e-01 
4.78 -1.808894869e-01 
4.80 -1.735461677e-01 
4.82 -1.664436365e-01 
4.84 -1.595599437e-01 
4.86 -1.528767854e-01 
4.88 -1.463796220e-01 
4.90 -1.400578581e-01 
4.92 -1.339049261e-01 
4.94 -1.279182370e-01 
4.96 -1.220989615e-01 
4.98 -1.164516146e-01 
5.00 -1.109834336e-01 
5.02 -1.057035646e-01 
5.04 -1.006221029e-01 
5.06 -9.574906196e-02 
5.08 -9.109328939e-02 
5.10 -8.666125655e-02 
5.12 -8.245743786e-02 
5.14 -7.848325630e-02 
5.16 -7.473678054e-02 
5.18 -7.121285011e-02 
5.20 -6.790341720e-02 
5.22 -6.479803823e-02 
5.24 -6.188444384e-02 
5.26 -5.914912270e-02 
5.28 -5.657786823e-02 
5.30 -5.415625415e-02 
5.32 -5.187002149e-02 
5.34 -4.970537271e-02 
5.36 -4.764917916e-02 
5.38 -4.568911359e-02 
5.40 -4.381372290e-02 
5.42 -4.201245649e-02 
5.44 -4.027566484e-02 
5.46 -3.859458112e-02 
5.48 -3.696129628e-02 
5.50 -3.536873583e-02 
5.52 -3.381064438e-02 
5.54 -3.228158170e-02 
5.56 -3.077693216e-02 
5.58 -2.929292729e-02 
5.60 -2.782667925e-02 
5.62 -2.637622084e-02 
5.64 -2.494054594e-02 
5.66 -2.351964227e-02 
5.68 -2.211450723e-02 
5.70 -2.072713714e-02 
5.72 -1.936048050e-02 
5.74 -1.801834837e-02 
5.76 -1.670527767e-02 
5.78 -1.542634861e-02 
5.80 -1.418696169e-02 
5.82 -1.299258700e-02 
5.84 -1.184850177e-02 
5.86 -1.075953498e-02 
5.88 -9.729838772e-03 
5.90 -8.762703673e-03 
5.92 -7.860380043e-03 
5.94 -7.023995484e-03 
5.96 -6.253823974e-03 
5.98 -5.549122877e-03 
6.00 -4.908222306e-03