# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2021--Plummer-G-Rathod-H-Srivastava-A-et-al--Ti-Al-C # implementation = 2021--Plummer-G--Ti-Al-C--LAMMPS--ipr1 # composition = AlTi2 # 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 1.023592522e+03 0.80 9.330302356e+02 0.82 8.510387441e+02 0.84 7.767887893e+02 0.86 7.101222902e+02 0.88 6.500192151e+02 0.90 5.959953211e+02 0.92 5.474595106e+02 0.94 5.037435739e+02 0.96 4.634984558e+02 0.98 4.259774059e+02 1.00 3.913569891e+02 1.02 3.596800755e+02 1.04 3.305568144e+02 1.06 3.040858788e+02 1.08 2.802242026e+02 1.10 2.586312781e+02 1.12 2.392562221e+02 1.14 2.214739674e+02 1.16 2.049607096e+02 1.18 1.895679163e+02 1.20 1.752079742e+02 1.22 1.618738927e+02 1.24 1.495636673e+02 1.26 1.382502419e+02 1.28 1.278625068e+02 1.30 1.179612204e+02 1.32 1.085255358e+02 1.34 9.962339491e+01 1.36 9.131381276e+01 1.38 8.363955424e+01 1.40 7.654229197e+01 1.42 7.004180883e+01 1.44 6.414039180e+01 1.46 5.877272947e+01 1.48 5.394971531e+01 1.50 4.967302386e+01 1.52 4.586360064e+01 1.54 4.231347338e+01 1.56 3.898395053e+01 1.58 3.586931401e+01 1.60 3.296347227e+01 1.62 3.025983172e+01 1.64 2.775115249e+01 1.66 2.541358068e+01 1.68 2.322899655e+01 1.70 2.115686571e+01 1.72 1.917815461e+01 1.74 1.729882224e+01 1.76 1.552115440e+01 1.78 1.383705095e+01 1.80 1.224711514e+01 1.82 1.075329361e+01 1.84 9.357453407e+00 1.86 8.061677452e+00 1.88 6.868362491e+00 1.90 5.780026720e+00 1.92 4.798791758e+00 1.94 3.925599111e+00 1.96 3.153682113e+00 1.98 2.472337842e+00 2.00 1.870507007e+00 2.02 1.313285095e+00 2.04 7.887833828e-01 2.06 2.971991000e-01 2.08 -1.605996087e-01 2.10 -5.840022477e-01 2.12 -9.734697849e-01 2.14 -1.333964822e+00 2.16 -1.666575281e+00 2.18 -1.971990540e+00 2.20 -2.251501200e+00 2.22 -2.506919701e+00 2.24 -2.740451608e+00 2.26 -2.954521655e+00 2.28 -3.151562870e+00 2.30 -3.333783103e+00 2.32 -3.502931027e+00 2.34 -3.660092128e+00 2.36 -3.805552243e+00 2.38 -3.938757707e+00 2.40 -4.056740254e+00 2.42 -4.156864147e+00 2.44 -4.237978847e+00 2.46 -4.299427614e+00 2.48 -4.341695447e+00 2.50 -4.373007636e+00 2.52 -4.396847285e+00 2.54 -4.413718360e+00 2.56 -4.424097308e+00 2.58 -4.428434444e+00 2.60 -4.427155271e+00 2.62 -4.420661731e+00 2.64 -4.409333402e+00 2.66 -4.393528631e+00 2.68 -4.373585615e+00 2.70 -4.349823431e+00 2.72 -4.322543010e+00 2.74 -4.292028068e+00 2.76 -4.258545993e+00 2.78 -4.222348683e+00 2.80 -4.183673346e+00 2.82 -4.142743264e+00 2.84 -4.099757376e+00 2.86 -4.051319889e+00 2.88 -3.994870092e+00 2.90 -3.930812208e+00 2.92 -3.859611536e+00 2.94 -3.781797013e+00 2.96 -3.697962872e+00 2.98 -3.608768999e+00 3.00 -3.514939641e+00 3.02 -3.417260156e+00 3.04 -3.316571584e+00 3.06 -3.213762874e+00 3.08 -3.109760690e+00 3.10 -3.005516828e+00 3.12 -2.901993362e+00 3.14 -2.800145778e+00 3.16 -2.700904489e+00 3.18 -2.605155235e+00 3.20 -2.513719059e+00 3.22 -2.425552682e+00 3.24 -2.334063651e+00 3.26 -2.239269628e+00 3.28 -2.141992365e+00 3.30 -2.043051994e+00 3.32 -1.943257105e+00 3.34 -1.843394587e+00 3.36 -1.744219513e+00 3.38 -1.644301129e+00 3.40 -1.540395442e+00 3.42 -1.433309058e+00 3.44 -1.323971368e+00 3.46 -1.213334655e+00 3.48 -1.102368908e+00 3.50 -9.920557487e-01 3.52 -8.833812897e-01 3.54 -7.773277850e-01 3.56 -6.748639002e-01 3.58 -5.769334973e-01 3.60 -4.844428788e-01 3.62 -3.982465328e-01 3.64 -3.191315572e-01 3.66 -2.478011088e-01 3.68 -1.848574284e-01 3.70 -1.307851996e-01 3.72 -8.593619965e-02 3.74 -5.051633883e-02 3.76 -2.457623239e-02 3.78 -8.006367110e-03 3.80 -5.376907376e-04 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