# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2019--Plummer-G-Tucker-G-J--Ti-Al-C # implementation = 2019--Plummer-G--Ti-Al-C--LAMMPS--ipr1 # composition = AlC2 # 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 3.354262731e+02 0.80 3.015605719e+02 0.82 2.716233424e+02 0.84 2.450403724e+02 0.86 2.211130625e+02 0.88 1.995638970e+02 0.90 1.803184971e+02 0.92 1.633748659e+02 0.94 1.483728370e+02 0.96 1.347300380e+02 0.98 1.220976889e+02 1.00 1.104747478e+02 1.02 9.992059363e+01 1.04 9.048595524e+01 1.06 8.221980798e+01 1.08 7.510332640e+01 1.10 6.882116011e+01 1.12 6.298818057e+01 1.14 5.753014696e+01 1.16 5.229583348e+01 1.18 4.729097619e+01 1.20 4.255309780e+01 1.22 3.809979442e+01 1.24 3.392488644e+01 1.26 3.005135852e+01 1.28 2.658432687e+01 1.30 2.369164384e+01 1.32 2.141470343e+01 1.34 1.947035710e+01 1.36 1.769024876e+01 1.38 1.606367921e+01 1.40 1.457925899e+01 1.42 1.322515680e+01 1.44 1.198667771e+01 1.46 1.080583809e+01 1.48 9.664561701e+00 1.50 8.569010299e+00 1.52 7.518850291e+00 1.54 6.513066784e+00 1.56 5.547569382e+00 1.58 4.615227413e+00 1.60 3.708687607e+00 1.62 2.815920686e+00 1.64 1.939806973e+00 1.66 1.122852446e+00 1.68 4.278549689e-01 1.70 -9.079683450e-02 1.72 -5.428231259e-01 1.74 -1.034227460e+00 1.76 -1.601387430e+00 1.78 -2.289616813e+00 1.80 -3.135640460e+00 1.82 -4.120373473e+00 1.84 -5.063495660e+00 1.86 -5.573067775e+00 1.88 -5.660478474e+00 1.90 -5.733123662e+00 1.92 -5.795280196e+00 1.94 -5.847617419e+00 1.96 -5.890766509e+00 1.98 -5.925322656e+00 2.00 -5.951847116e+00 2.02 -5.970869139e+00 2.04 -5.982887792e+00 2.06 -5.988373662e+00 2.08 -5.987770473e+00 2.10 -5.981496597e+00 2.12 -5.970276821e+00 2.14 -5.956594122e+00 2.16 -5.940559794e+00 2.18 -5.921813822e+00 2.20 -5.900052206e+00 2.22 -5.875036224e+00 2.24 -5.846596769e+00 2.26 -5.814634431e+00 2.28 -5.779116137e+00 2.30 -5.740069298e+00 2.32 -5.697574429e+00 2.34 -5.651757131e+00 2.36 -5.602780186e+00 2.38 -5.550836295e+00 2.40 -5.496141709e+00 2.42 -5.438930796e+00 2.44 -5.379451359e+00 2.46 -5.317960423e+00 2.48 -5.254752367e+00 2.50 -5.190675365e+00 2.52 -5.126079979e+00 2.54 -5.061052977e+00 2.56 -4.995676200e+00 2.58 -4.930026792e+00 2.60 -4.864177421e+00 2.62 -4.798196489e+00 2.64 -4.732148335e+00 2.66 -4.666093429e+00 2.68 -4.600088555e+00 2.70 -4.534186987e+00 2.72 -4.468438661e+00 2.74 -4.402890333e+00 2.76 -4.335303467e+00 2.78 -4.248019051e+00 2.80 -4.138176474e+00 2.82 -4.006944934e+00 2.84 -3.855615685e+00 2.86 -3.685609852e+00 2.88 -3.498487188e+00 2.90 -3.295955350e+00 2.92 -3.079879360e+00 2.94 -2.852290980e+00 2.96 -2.615397804e+00 2.98 -2.371591956e+00 3.00 -2.123458319e+00 3.02 -1.873782314e+00 3.04 -1.625557115e+00 3.06 -1.381989830e+00 3.08 -1.146505095e+00 3.10 -9.227421798e-01 3.12 -7.145373980e-01 3.14 -5.258768411e-01 3.16 -3.607963699e-01 3.18 -2.232004786e-01 3.20 -1.165778832e-01 3.22 -4.361989977e-02 3.24 -5.799947892e-03 3.26 0.000000000e+00 3.28 0.000000000e+00 3.30 0.000000000e+00 3.32 0.000000000e+00 3.34 0.000000000e+00 3.36 0.000000000e+00 3.38 0.000000000e+00 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