# 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 = Al2Co # 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 1.116008510e+02 1.16 1.031759331e+02 1.18 9.540614278e+01 1.20 8.823071220e+01 1.22 8.159573973e+01 1.24 7.545313575e+01 1.26 6.976104105e+01 1.28 6.448333257e+01 1.30 5.958767652e+01 1.32 5.504385441e+01 1.34 5.082352349e+01 1.36 4.690094642e+01 1.38 4.325347542e+01 1.40 3.986119817e+01 1.42 3.670593136e+01 1.44 3.377028361e+01 1.46 3.103794566e+01 1.48 2.849256643e+01 1.50 2.612396335e+01 1.52 2.392065724e+01 1.54 2.187150738e+01 1.56 1.996675361e+01 1.58 1.819732898e+01 1.60 1.655450888e+01 1.62 1.502975816e+01 1.64 1.361465408e+01 1.66 1.230089909e+01 1.68 1.108049552e+01 1.70 9.946041695e+00 1.72 8.890940536e+00 1.74 7.909349985e+00 1.76 6.995958286e+00 1.78 6.145827932e+00 1.80 5.354436492e+00 1.82 4.617817762e+00 1.84 3.932628101e+00 1.86 3.296062706e+00 1.88 2.705662820e+00 1.90 2.159089526e+00 1.92 1.653924478e+00 1.94 1.187545256e+00 1.96 7.571126443e-01 1.98 3.596778534e-01 2.00 -7.628975817e-03 2.02 -3.474043466e-01 2.04 -6.618485934e-01 2.06 -9.527546501e-01 2.08 -1.221592670e+00 2.10 -1.469637576e+00 2.12 -1.698085763e+00 2.14 -1.908128826e+00 2.16 -2.100975340e+00 2.18 -2.277828519e+00 2.20 -2.439838856e+00 2.22 -2.588055750e+00 2.24 -2.723396731e+00 2.26 -2.846640251e+00 2.28 -2.958444663e+00 2.30 -3.059391333e+00 2.32 -3.149900848e+00 2.34 -3.230315738e+00 2.36 -3.300929856e+00 2.38 -3.362006060e+00 2.40 -3.413798469e+00 2.42 -3.456578803e+00 2.44 -3.490802625e+00 2.46 -3.518601384e+00 2.48 -3.540292386e+00 2.50 -3.555615317e+00 2.52 -3.564507831e+00 2.54 -3.567101244e+00 2.56 -3.563702509e+00 2.58 -3.554772004e+00 2.60 -3.540891190e+00 2.62 -3.522733388e+00 2.64 -3.501001086e+00 2.66 -3.476326735e+00 2.68 -3.449220705e+00 2.70 -3.420047085e+00 2.72 -3.389027211e+00 2.74 -3.356263613e+00 2.76 -3.321773096e+00 2.78 -3.285518978e+00 2.80 -3.247436795e+00 2.82 -3.207451701e+00 2.84 -3.165489101e+00 2.86 -3.121480963e+00 2.88 -3.075370794e+00 2.90 -3.027119864e+00 2.92 -2.976716548e+00 2.94 -2.924189679e+00 2.96 -2.869625384e+00 2.98 -2.813185098e+00 3.00 -2.755120571e+00 3.02 -2.695780403e+00 3.04 -2.635602872e+00 3.06 -2.575092439e+00 3.08 -2.514781421e+00 3.10 -2.455183797e+00 3.12 -2.396750526e+00 3.14 -2.339835850e+00 3.16 -2.284680142e+00 3.18 -2.231410160e+00 3.20 -2.180052946e+00 3.22 -2.130557656e+00 3.24 -2.082819614e+00 3.26 -2.036702375e+00 3.28 -1.992055553e+00 3.30 -1.948727791e+00 3.32 -1.906575347e+00 3.34 -1.865467203e+00 3.36 -1.825287742e+00 3.38 -1.785937806e+00 3.40 -1.747334737e+00 3.42 -1.709411813e+00 3.44 -1.672117179e+00 3.46 -1.635412481e+00 3.48 -1.599271185e+00 3.50 -1.563676678e+00 3.52 -1.528620216e+00 3.54 -1.494098839e+00 3.56 -1.460113361e+00 3.58 -1.426666542e+00 3.60 -1.393761528e+00 3.62 -1.361400613e+00 3.64 -1.329584358e+00 3.66 -1.298311048e+00 3.68 -1.267576472e+00 3.70 -1.237373942e+00 3.72 -1.207694512e+00 3.74 -1.178527285e+00 3.76 -1.149859760e+00 3.78 -1.121678133e+00 3.80 -1.093967509e+00 3.82 -1.066712020e+00 3.84 -1.039894830e+00 3.86 -1.013498051e+00 3.88 -9.875026097e-01 3.90 -9.618880874e-01 3.92 -9.366325639e-01 3.94 -9.117125472e-01 3.96 -8.871028774e-01 3.98 -8.627768226e-01 4.00 -8.387062497e-01 4.02 -8.148619633e-01 4.04 -7.912142428e-01 4.06 -7.677336178e-01 4.08 -7.443919204e-01 4.10 -7.211636274e-01 4.12 -6.980275633e-01 4.14 -6.749687537e-01 4.16 -6.519805831e-01 4.18 -6.290669240e-01 4.20 -6.062441047e-01 4.22 -5.835424324e-01 4.24 -5.610069766e-01 4.26 -5.386973276e-01 4.28 -5.166861157e-01 4.30 -4.950562120e-01 4.32 -4.738967108e-01 4.34 -4.532979940e-01 4.36 -4.333463497e-01 4.38 -4.141187220e-01 4.40 -3.956781644e-01 4.42 -3.780704681e-01 4.44 -3.613222480e-01 4.46 -3.454405474e-01 4.48 -3.304138178e-01 4.50 -3.162139760e-01 4.52 -3.027991684e-01 4.54 -2.901168661e-01 4.56 -2.781069695e-01 4.58 -2.667046860e-01 4.60 -2.558430349e-01 4.62 -2.454549228e-01 4.64 -2.354747939e-01 4.66 -2.258399077e-01 4.68 -2.164913215e-01 4.70 -2.073746599e-01 4.72 -1.984407602e-01 4.74 -1.896462466e-01 4.76 -1.809540905e-01 4.78 -1.723341793e-01 4.80 -1.637638768e-01 4.82 -1.552286339e-01 4.84 -1.467223522e-01 4.86 -1.382477635e-01 4.88 -1.298164674e-01 4.90 -1.214486441e-01 4.92 -1.131723499e-01 4.94 -1.050223587e-01 4.96 -9.703852298e-02 4.98 -8.926345277e-02 5.00 -8.174119026e-02 5.02 -7.451451521e-02 5.04 -6.762256764e-02 5.06 -6.109896263e-02 5.08 -5.497034917e-02 5.10 -4.925550200e-02 5.12 -4.396497091e-02 5.14 -3.910125119e-02 5.16 -3.465939148e-02 5.18 -3.062792588e-02 5.20 -2.699000795e-02 5.22 -2.372463015e-02 5.24 -2.080783055e-02 5.26 -1.821381238e-02 5.28 -1.591592769e-02 5.30 -1.388749722e-02 5.32 -1.210246299e-02 5.34 -1.053587767e-02 5.36 -9.164245095e-03 5.38 -7.965564064e-03 5.40 -6.919826826e-03 5.42 -6.008941236e-03 5.44 -5.216536744e-03 5.46 -4.527920553e-03 5.48 -3.929994602e-03 5.50 -3.411148228e-03 5.52 -2.961137727e-03 5.54 -2.570961029e-03 5.56 -2.232733248e-03 5.58 -1.939566995e-03 5.60 -1.685459909e-03 5.62 -1.465190784e-03 5.64 -1.274224925e-03 5.66 -1.108628815e-03 5.68 -9.649938443e-04 5.70 -8.403685817e-04 5.72 -7.321989964e-04 5.74 -6.382759196e-04 5.76 -5.566890540e-04 5.78 -4.857868381e-04 5.80 -4.241415103e-04 5.82 -3.705187649e-04 5.84 -3.238514408e-04 5.86 -2.832167391e-04 5.88 -2.478165202e-04 5.90 -2.169602776e-04 5.92 -1.900504362e-04 5.94 -1.665696635e-04 5.96 -1.460699238e-04 5.98 -1.281630358e-04 6.00 -1.125125313e-04