# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1986--Foiles-S-M-Baskes-M-I-Daw-M-S--Ag-Au-Cu-Ni-Pd-Pt # implementation = 1986--Foiles-S-M--Ag-Au-Cu-Ni-Pd-Pt--LAMMPS--ipr1 # composition = Ni2Pt # 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 2022-05-24 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 9.242277983e+02 0.86 8.367829672e+02 0.88 7.577256193e+02 0.90 6.861834879e+02 0.92 6.213957827e+02 0.94 5.626971223e+02 0.96 5.095046045e+02 0.98 4.612949583e+02 1.00 4.175983425e+02 1.02 3.779951769e+02 1.04 3.421123558e+02 1.06 3.096113005e+02 1.08 2.801795797e+02 1.10 2.535399951e+02 1.12 2.294294950e+02 1.14 2.076135162e+02 1.16 1.878837611e+02 1.18 1.700456229e+02 1.20 1.539224851e+02 1.22 1.393495235e+02 1.24 1.261836528e+02 1.26 1.142886490e+02 1.28 1.035413920e+02 1.30 9.383142902e+01 1.32 8.505760386e+01 1.34 7.712732842e+01 1.36 6.996008348e+01 1.38 6.348022185e+01 1.40 5.761625838e+01 1.42 5.230859792e+01 1.44 4.750319244e+01 1.46 4.314944659e+01 1.48 3.920110825e+01 1.50 3.561759688e+01 1.52 3.236308989e+01 1.54 2.940461299e+01 1.56 2.671179113e+01 1.58 2.425801981e+01 1.60 2.202066449e+01 1.62 1.997880820e+01 1.64 1.811273078e+01 1.66 1.640528651e+01 1.68 1.484118090e+01 1.70 1.341016452e+01 1.72 1.209740599e+01 1.74 1.089697282e+01 1.76 9.736833040e+00 1.78 8.677227733e+00 1.80 7.668348735e+00 1.82 6.709775985e+00 1.84 5.800734114e+00 1.86 4.940305732e+00 1.88 4.125776698e+00 1.90 3.358516801e+00 1.92 2.637533740e+00 1.94 1.961565246e+00 1.96 1.329350367e+00 1.98 7.396116761e-01 2.00 1.925718475e-01 2.02 -3.146011255e-01 2.04 -7.838016674e-01 2.06 -1.216460362e+00 2.08 -1.614078392e+00 2.10 -1.978477277e+00 2.12 -2.311075138e+00 2.14 -2.613117847e+00 2.16 -2.885761483e+00 2.18 -3.130753033e+00 2.20 -3.349442190e+00 2.22 -3.542877354e+00 2.24 -3.713189966e+00 2.26 -3.861780482e+00 2.28 -3.990014522e+00 2.30 -4.099252335e+00 2.32 -4.190847802e+00 2.34 -4.265943092e+00 2.36 -4.325731665e+00 2.38 -4.371359439e+00 2.40 -4.403931183e+00 2.42 -4.424606641e+00 2.44 -4.434233863e+00 2.46 -4.433756091e+00 2.48 -4.424075204e+00 2.50 -4.406037773e+00 2.52 -4.381264308e+00 2.54 -4.350084059e+00 2.56 -4.311826106e+00 2.58 -4.267712202e+00 2.60 -4.218811266e+00 2.62 -4.165679948e+00 2.64 -4.108829667e+00 2.66 -4.048733577e+00 2.68 -3.985828319e+00 2.70 -3.920515849e+00 2.72 -3.853165306e+00 2.74 -3.784108795e+00 2.76 -3.713432121e+00 2.78 -3.641121954e+00 2.80 -3.568201437e+00 2.82 -3.494689192e+00 2.84 -3.420797469e+00 2.86 -3.346716533e+00 2.88 -3.272617550e+00 2.90 -3.198654130e+00 2.92 -3.124963691e+00 2.94 -3.051719363e+00 2.96 -2.979921256e+00 2.98 -2.908695363e+00 3.00 -2.838112499e+00 3.02 -2.768251871e+00 3.04 -2.699182954e+00 3.06 -2.630966406e+00 3.08 -2.563655070e+00 3.10 -2.497294872e+00 3.12 -2.431924619e+00 3.14 -2.367577535e+00 3.16 -2.304275005e+00 3.18 -2.242050341e+00 3.20 -2.180996967e+00 3.22 -2.120964583e+00 3.24 -2.061694966e+00 3.26 -2.003813416e+00 3.28 -1.947241271e+00 3.30 -1.891826970e+00 3.32 -1.837513733e+00 3.34 -1.784286587e+00 3.36 -1.732118254e+00 3.38 -1.680948225e+00 3.40 -1.630756465e+00 3.42 -1.581609781e+00 3.44 -1.533573317e+00 3.46 -1.486641815e+00 3.48 -1.440786795e+00 3.50 -1.395994987e+00 3.52 -1.352253797e+00 3.54 -1.309534490e+00 3.56 -1.267828705e+00 3.58 -1.227134900e+00 3.60 -1.187441728e+00 3.62 -1.148700055e+00 3.64 -1.110894210e+00 3.66 -1.074030594e+00 3.68 -1.038115990e+00 3.70 -1.003114323e+00 3.72 -9.689236736e-01 3.74 -9.354130505e-01 3.76 -9.027064629e-01 3.78 -8.709169068e-01 3.80 -8.401283323e-01 3.82 -8.104004381e-01 3.84 -7.818176268e-01 3.86 -7.543971161e-01 3.88 -7.282123430e-01 3.90 -7.030423617e-01 3.92 -6.785465267e-01 3.94 -6.544736433e-01 3.96 -6.306447382e-01 3.98 -6.069386418e-01 4.00 -5.832799692e-01 4.02 -5.596291350e-01 4.04 -5.359741036e-01 4.06 -5.123122472e-01 4.08 -4.886393842e-01 4.10 -4.650337213e-01 4.12 -4.414856894e-01 4.14 -4.181167190e-01 4.16 -3.953826880e-01 4.18 -3.748117046e-01 4.20 -3.548108169e-01 4.22 -3.354442550e-01 4.24 -3.167524054e-01 4.26 -2.987633386e-01 4.28 -2.814935477e-01 4.30 -2.649500576e-01 4.32 -2.491322092e-01 4.34 -2.340331665e-01 4.36 -2.196411891e-01 4.38 -2.059406960e-01 4.40 -1.929131597e-01 4.42 -1.805378508e-01 4.44 -1.687924564e-01 4.46 -1.576535938e-01 4.48 -1.470972280e-01 4.50 -1.370990154e-01 4.52 -1.276345824e-01 4.54 -1.186797472e-01 4.56 -1.102106993e-01 4.58 -1.022041357e-01 4.60 -9.463736739e-02 4.62 -8.748839826e-02 4.64 -8.073598174e-02 4.66 -7.435966088e-02 4.68 -6.833979056e-02 4.70 -6.265754908e-02 4.72 -5.729493977e-02 4.74 -5.223478438e-02 4.76 -4.746071115e-02 4.78 -4.296360940e-02 4.80 -3.876264254e-02 4.82 -3.583303572e-02 4.84 -3.311362174e-02 4.86 -3.055161553e-02 4.88 -2.813543268e-02 4.90 -2.585707472e-02 4.92 -2.370895299e-02 4.94 -2.168387183e-02 4.96 -1.977501164e-02 4.98 -1.797591216e-02 5.00 -1.628045590e-02 5.02 -1.468285196e-02 5.04 -1.317762036e-02 5.06 -1.175957663e-02 5.08 -1.042381712e-02 5.10 -9.165704764e-03 5.12 -7.980855422e-03 5.14 -6.865124808e-03 5.16 -5.814595978e-03 5.18 -4.825567412e-03 5.20 -3.894541609e-03 5.22 -3.018214240e-03 5.24 -2.193463825e-03 5.26 -1.417341945e-03 5.28 -6.875071671e-04 5.30 -1.068281978e-15 5.32 0.000000000e+00 5.34 0.000000000e+00 5.36 0.000000000e+00 5.38 0.000000000e+00 5.40 0.000000000e+00 5.42 0.000000000e+00 5.44 0.000000000e+00 5.46 0.000000000e+00 5.48 0.000000000e+00 5.50 0.000000000e+00 5.52 0.000000000e+00 5.54 0.000000000e+00 5.56 0.000000000e+00 5.58 0.000000000e+00 5.60 0.000000000e+00 5.62 0.000000000e+00 5.64 0.000000000e+00 5.66 0.000000000e+00 5.68 0.000000000e+00 5.70 0.000000000e+00 5.72 0.000000000e+00 5.74 0.000000000e+00 5.76 0.000000000e+00 5.78 0.000000000e+00 5.80 0.000000000e+00 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