# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2015--Kumar-A-Chernatynskiy-A-Liang-T-et-al--Al-Ni-O # implementation = 2015--Kumar-A--Al-Ni-O--LAMMPS--ipr1 # composition = Ni2O # 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 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 nan 1.16 nan 1.18 nan 1.20 nan 1.22 nan 1.24 nan 1.26 nan 1.28 nan 1.30 nan 1.32 nan 1.34 nan 1.36 nan 1.38 nan 1.40 nan 1.42 nan 1.44 nan 1.46 nan 1.48 nan 1.50 nan 1.52 nan 1.54 nan 1.56 nan 1.58 nan 1.60 nan 1.62 nan 1.64 nan 1.66 5.379669832e+00 1.68 4.289103353e+00 1.70 3.332225857e+00 1.72 2.478707367e+00 1.74 1.725695470e+00 1.76 1.068218380e+00 1.78 4.986261154e-01 1.80 -6.359156134e-03 1.82 -4.588757894e-01 1.84 -8.632112770e-01 1.86 -1.223330815e+00 1.88 -1.559472734e+00 1.90 -1.929186559e+00 1.92 -2.314899532e+00 1.94 -2.689892128e+00 1.96 -3.030153834e+00 1.98 -3.317585689e+00 2.00 -3.541288575e+00 2.02 -3.697285369e+00 2.04 -3.787414043e+00 2.06 -3.821707117e+00 2.08 -3.836541183e+00 2.10 -3.840218374e+00 2.12 -3.833865124e+00 2.14 -3.818518293e+00 2.16 -3.795131712e+00 2.18 -3.764582269e+00 2.20 -3.727675554e+00 2.22 -3.685151120e+00 2.24 -3.637687357e+00 2.26 -3.585906032e+00 2.28 -3.530376503e+00 2.30 -3.471619629e+00 2.32 -3.410111412e+00 2.34 -3.346286368e+00 2.36 -3.280540667e+00 2.38 -3.213235043e+00 2.40 -3.144697498e+00 2.42 -3.075225812e+00 2.44 -3.005089869e+00 2.46 -2.934533822e+00 2.48 -2.863778098e+00 2.50 -2.793021254e+00 2.52 -2.722441709e+00 2.54 -2.652199337e+00 2.56 -2.582436957e+00 2.58 -2.513281702e+00 2.60 -2.444846298e+00 2.62 -2.377230243e+00 2.64 -2.310520898e+00 2.66 -2.237562699e+00 2.68 -2.149707192e+00 2.70 -2.048732369e+00 2.72 -1.937311664e+00 2.74 -1.818880509e+00 2.76 -1.697452097e+00 2.78 -1.577331042e+00 2.80 -1.462744766e+00 2.82 -1.357448871e+00 2.84 -1.264391810e+00 2.86 -1.185525716e+00 2.88 -1.121806060e+00 2.90 -1.073339810e+00 2.92 -1.033796810e+00 2.94 -9.955869464e-01 2.96 -9.586547881e-01 2.98 -9.229681515e-01 3.00 -8.884947507e-01 3.02 -8.514322304e-01 3.04 -8.085537394e-01 3.06 -7.606894391e-01 3.08 -7.086674750e-01 3.10 -6.533143874e-01 3.12 -5.954571528e-01 3.14 -5.359265789e-01 3.16 -4.755617656e-01 3.18 -4.152151910e-01 3.20 -3.557576382e-01 3.22 -2.980816182e-01 3.24 -2.431011235e-01 3.26 -1.917445611e-01 3.28 -1.449367965e-01 3.30 -1.035659224e-01 3.32 -6.843137369e-02 3.34 -4.017288923e-02 3.36 -1.918431877e-02 3.38 -5.546623883e-03 3.40 0.000000000e+00 3.42 0.000000000e+00 3.44 0.000000000e+00 3.46 0.000000000e+00 3.48 0.000000000e+00 3.50 0.000000000e+00 3.52 0.000000000e+00 3.54 0.000000000e+00 3.56 0.000000000e+00 3.58 0.000000000e+00 3.60 0.000000000e+00 3.62 0.000000000e+00 3.64 0.000000000e+00 3.66 0.000000000e+00 3.68 0.000000000e+00 3.70 0.000000000e+00 3.72 0.000000000e+00 3.74 0.000000000e+00 3.76 0.000000000e+00 3.78 0.000000000e+00 3.80 0.000000000e+00 3.82 0.000000000e+00 3.84 0.000000000e+00 3.86 0.000000000e+00 3.88 0.000000000e+00 3.90 0.000000000e+00 3.92 0.000000000e+00 3.94 0.000000000e+00 3.96 0.000000000e+00 3.98 0.000000000e+00 4.00 0.000000000e+00 4.02 0.000000000e+00 4.04 0.000000000e+00 4.06 0.000000000e+00 4.08 0.000000000e+00 4.10 0.000000000e+00 4.12 0.000000000e+00 4.14 0.000000000e+00 4.16 0.000000000e+00 4.18 0.000000000e+00 4.20 0.000000000e+00 4.22 0.000000000e+00 4.24 0.000000000e+00 4.26 0.000000000e+00 4.28 0.000000000e+00 4.30 0.000000000e+00 4.32 0.000000000e+00 4.34 0.000000000e+00 4.36 0.000000000e+00 4.38 0.000000000e+00 4.40 0.000000000e+00 4.42 0.000000000e+00 4.44 0.000000000e+00 4.46 0.000000000e+00 4.48 0.000000000e+00 4.50 0.000000000e+00 4.52 0.000000000e+00 4.54 0.000000000e+00 4.56 0.000000000e+00 4.58 0.000000000e+00 4.60 0.000000000e+00 4.62 0.000000000e+00 4.64 0.000000000e+00 4.66 0.000000000e+00 4.68 0.000000000e+00 4.70 0.000000000e+00 4.72 0.000000000e+00 4.74 0.000000000e+00 4.76 0.000000000e+00 4.78 0.000000000e+00 4.80 0.000000000e+00 4.82 0.000000000e+00 4.84 0.000000000e+00 4.86 0.000000000e+00 4.88 0.000000000e+00 4.90 0.000000000e+00 4.92 0.000000000e+00 4.94 0.000000000e+00 4.96 0.000000000e+00 4.98 0.000000000e+00 5.00 0.000000000e+00 5.02 0.000000000e+00 5.04 0.000000000e+00 5.06 0.000000000e+00 5.08 0.000000000e+00 5.10 0.000000000e+00 5.12 0.000000000e+00 5.14 0.000000000e+00 5.16 0.000000000e+00 5.18 0.000000000e+00 5.20 0.000000000e+00 5.22 0.000000000e+00 5.24 0.000000000e+00 5.26 0.000000000e+00 5.28 0.000000000e+00 5.30 0.000000000e+00 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