# 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 = Al2Ni # 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 1.015444689e+02 1.16 9.387866826e+01 1.18 8.680753003e+01 1.20 8.027870154e+01 1.22 7.424362932e+01 1.24 6.865682825e+01 1.26 6.347806612e+01 1.28 5.867343523e+01 1.30 5.421356539e+01 1.32 5.007128546e+01 1.34 4.622108506e+01 1.36 4.264010414e+01 1.38 3.930881706e+01 1.40 3.621047794e+01 1.42 3.332975661e+01 1.44 3.065132202e+01 1.46 2.815918186e+01 1.48 2.583937101e+01 1.50 2.368183938e+01 1.52 2.167410489e+01 1.54 1.980594753e+01 1.56 1.806863240e+01 1.58 1.645393118e+01 1.60 1.495365670e+01 1.62 1.355966424e+01 1.64 1.226402005e+01 1.66 1.105913143e+01 1.68 9.937870487e+00 1.70 8.893763468e+00 1.72 7.921136918e+00 1.74 7.015054720e+00 1.76 6.171078561e+00 1.78 5.385067677e+00 1.80 4.653175735e+00 1.82 3.971994790e+00 1.84 3.338663801e+00 1.86 2.750807783e+00 1.88 2.206313394e+00 1.90 1.703043307e+00 1.92 1.238604796e+00 1.94 8.102551691e-01 1.96 4.149749640e-01 1.98 4.967660572e-02 2.00 -2.885373372e-01 2.02 -6.021644555e-01 2.04 -8.932066864e-01 2.06 -1.163199648e+00 2.08 -1.413330277e+00 2.10 -1.644583760e+00 2.12 -1.857869371e+00 2.14 -2.054099594e+00 2.16 -2.234219280e+00 2.18 -2.399194759e+00 2.20 -2.549979381e+00 2.22 -2.687474759e+00 2.24 -2.812503856e+00 2.26 -2.925803571e+00 2.28 -3.028034894e+00 2.30 -3.119800275e+00 2.32 -3.201659411e+00 2.34 -3.274138347e+00 2.36 -3.337724933e+00 2.38 -3.392858519e+00 2.40 -3.439924938e+00 2.42 -3.479266592e+00 2.44 -3.512136284e+00 2.46 -3.540034852e+00 2.48 -3.562507979e+00 2.50 -3.579196675e+00 2.52 -3.589947581e+00 2.54 -3.594792114e+00 2.56 -3.593915891e+00 2.58 -3.587629877e+00 2.60 -3.576344969e+00 2.62 -3.560562412e+00 2.64 -3.540815981e+00 2.66 -3.517614489e+00 2.68 -3.491410306e+00 2.70 -3.462581362e+00 2.72 -3.431428682e+00 2.74 -3.398184820e+00 2.76 -3.363025539e+00 2.78 -3.326078689e+00 2.80 -3.287428676e+00 2.82 -3.247118484e+00 2.84 -3.205152940e+00 2.86 -3.161505466e+00 2.88 -3.116129025e+00 2.90 -3.068970630e+00 2.92 -3.019988439e+00 2.94 -2.969170625e+00 2.96 -2.916555067e+00 2.98 -2.862248195e+00 3.00 -2.806440106e+00 3.02 -2.749411970e+00 3.04 -2.691531612e+00 3.06 -2.633234883e+00 3.08 -2.574993449e+00 3.10 -2.517274303e+00 3.12 -2.460498721e+00 3.14 -2.405009208e+00 3.16 -2.351050206e+00 3.18 -2.298764393e+00 3.20 -2.248202083e+00 3.22 -2.199338966e+00 3.24 -2.152097012e+00 3.26 -2.106364432e+00 3.28 -2.062012296e+00 3.30 -2.018906939e+00 3.32 -1.976918380e+00 3.34 -1.935925509e+00 3.36 -1.895818918e+00 3.38 -1.856502174e+00 3.40 -1.817892107e+00 3.42 -1.779918524e+00 3.44 -1.742523506e+00 3.46 -1.705660514e+00 3.48 -1.669293318e+00 3.50 -1.633394848e+00 3.52 -1.597946027e+00 3.54 -1.562934639e+00 3.56 -1.528354265e+00 3.58 -1.494203307e+00 3.60 -1.460484070e+00 3.62 -1.427201879e+00 3.64 -1.394364208e+00 3.66 -1.361979800e+00 3.68 -1.330057782e+00 3.70 -1.298606795e+00 3.72 -1.267634180e+00 3.74 -1.237145238e+00 3.76 -1.207142618e+00 3.78 -1.177625838e+00 3.80 -1.148590946e+00 3.82 -1.120030330e+00 3.84 -1.091932648e+00 3.86 -1.064282872e+00 3.88 -1.037062401e+00 3.90 -1.010249244e+00 3.92 -9.838182306e-01 3.94 -9.577412889e-01 3.96 -9.319876605e-01 3.98 -9.065242484e-01 4.00 -8.813159746e-01 4.02 -8.563262480e-01 4.04 -8.315175801e-01 4.06 -8.068523999e-01 4.08 -7.822941240e-01 4.10 -7.578085076e-01 4.12 -7.333653685e-01 4.14 -7.089404790e-01 4.16 -6.845178120e-01 4.18 -6.600918136e-01 4.20 -6.356695909e-01 4.22 -6.112727460e-01 4.24 -5.869385741e-01 4.26 -5.627203434e-01 4.28 -5.386864409e-01 4.30 -5.149182819e-01 4.32 -4.915070479e-01 4.34 -4.685494924e-01 4.36 -4.461432079e-01 4.38 -4.243818311e-01 4.40 -4.033506590e-01 4.42 -3.831230502e-01 4.44 -3.637578323e-01 4.46 -3.452977624e-01 4.48 -3.277689476e-01 4.50 -3.111810509e-01 4.52 -2.955280885e-01 4.54 -2.807896541e-01 4.56 -2.669324497e-01 4.58 -2.539120448e-01 4.60 -2.416748366e-01 4.62 -2.301600969e-01 4.64 -2.193020879e-01 4.66 -2.090321581e-01 4.68 -1.992808177e-01 4.70 -1.899796287e-01 4.72 -1.810624819e-01 4.74 -1.724675924e-01 4.76 -1.641397068e-01 4.78 -1.560298190e-01 4.80 -1.480961789e-01 4.82 -1.403051650e-01 4.84 -1.326317629e-01 4.86 -1.250599666e-01 4.88 -1.175828332e-01 4.90 -1.102022602e-01 4.92 -1.029284343e-01 4.94 -9.577892966e-02 4.96 -8.877746103e-02 4.98 -8.195232682e-02 5.00 -7.533461869e-02 5.02 -6.895630630e-02 5.04 -6.284832983e-02 5.06 -5.703883981e-02 5.08 -5.155171127e-02 5.10 -4.640542945e-02 5.12 -4.161240260e-02 5.14 -3.717871054e-02 5.16 -3.310425496e-02 5.18 -2.938324362e-02 5.20 -2.600492079e-02 5.22 -2.295444952e-02 5.24 -2.021385715e-02 5.26 -1.776296917e-02 5.28 -1.558027498e-02 5.30 -1.364368585e-02 5.32 -1.193117009e-02 5.34 -1.042125635e-02 5.36 -9.093408189e-03 5.38 -7.928062091e-03 5.40 -6.907295908e-03 5.42 -6.014770998e-03 5.44 -5.235539310e-03 5.46 -4.556055751e-03 5.48 -3.964143365e-03 5.50 -3.448926860e-03 5.52 -3.000746496e-03 5.54 -2.611061357e-03 5.56 -2.272348568e-03 5.58 -1.978003070e-03 5.60 -1.722241075e-03 5.62 -1.500009154e-03 5.64 -1.306900102e-03 5.66 -1.139076095e-03 5.68 -9.931992312e-04 5.70 -8.663692818e-04 5.72 -7.560682726e-04 5.74 -6.601114216e-04 5.76 -5.766039008e-04 5.78 -5.039028746e-04 5.80 -4.405842725e-04 5.82 -3.854137816e-04 5.84 -3.373215758e-04 5.86 -2.953803380e-04 5.88 -2.587861750e-04 5.90 -2.268420614e-04 5.92 -1.989434922e-04 5.94 -1.745660573e-04 5.96 -1.532546874e-04 5.98 -1.346143491e-04 6.00 -1.183019975e-04