# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Cr-Ti-Co # implementation = 2025--Sharifi-H--Cr-Ti-Co--LAMMPS--ipr1 # composition = CoCrTi2 # 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 2025-07-01 r L2_1--AlCu2Mn--h L2_1--AlCu2Mn--h 0.50 nan nan 0.52 nan nan 0.54 nan nan 0.56 nan nan 0.58 nan nan 0.60 nan nan 0.62 nan nan 0.64 nan nan 0.66 nan nan 0.68 nan nan 0.70 nan nan 0.72 nan nan 0.74 nan nan 0.76 nan nan 0.78 nan nan 0.80 nan nan 0.82 nan nan 0.84 nan nan 0.86 nan nan 0.88 nan nan 0.90 nan nan 0.92 nan nan 0.94 nan nan 0.96 nan nan 0.98 2.155446212e+02 2.155446212e+02 1.00 2.039513603e+02 2.039513603e+02 1.02 1.942887228e+02 1.942887228e+02 1.04 1.872854626e+02 1.872854626e+02 1.06 1.821141841e+02 1.821141841e+02 1.08 1.779712583e+02 1.779712583e+02 1.10 1.742929241e+02 1.742929241e+02 1.12 1.706979274e+02 1.706979274e+02 1.14 1.669420025e+02 1.669420025e+02 1.16 1.628821962e+02 1.628821962e+02 1.18 1.584491190e+02 1.584491190e+02 1.20 1.536254900e+02 1.536254900e+02 1.22 1.484296902e+02 1.484296902e+02 1.24 1.429032955e+02 1.429032955e+02 1.26 1.371017349e+02 1.371017349e+02 1.28 1.310874089e+02 1.310874089e+02 1.30 1.249247246e+02 1.249247246e+02 1.32 1.186766125e+02 1.186766125e+02 1.34 1.124021844e+02 1.124021844e+02 1.36 1.061552551e+02 1.061552551e+02 1.38 9.998350932e+01 9.998350932e+01 1.40 9.392814425e+01 9.392814425e+01 1.42 8.802383637e+01 8.802383637e+01 1.44 8.229894513e+01 8.229894513e+01 1.46 7.677590749e+01 7.677590749e+01 1.48 7.147173681e+01 7.147173681e+01 1.50 6.639857412e+01 6.639857412e+01 1.52 6.156425861e+01 6.156425861e+01 1.54 5.697289328e+01 5.697289328e+01 1.56 5.262538561e+01 5.262538561e+01 1.58 4.851995808e+01 4.851995808e+01 1.60 4.465261976e+01 4.465261976e+01 1.62 4.101759118e+01 4.101759118e+01 1.64 3.760768411e+01 3.760768411e+01 1.66 3.441463667e+01 3.441463667e+01 1.68 3.142940498e+01 3.142940498e+01 1.70 2.864241448e+01 2.864241448e+01 1.72 2.604377359e+01 2.604377359e+01 1.74 2.362345227e+01 2.362345227e+01 1.76 2.137140009e+01 2.137140009e+01 1.78 1.927766574e+01 1.927766574e+01 1.80 1.733254406e+01 1.733254406e+01 1.82 1.552665050e+01 1.552665050e+01 1.84 1.385097407e+01 1.385097407e+01 1.86 1.229691657e+01 1.229691657e+01 1.88 1.085631915e+01 1.085631915e+01 1.90 9.521478140e+00 9.521478140e+00 1.92 8.285151907e+00 8.285151907e+00 1.94 7.140560398e+00 7.140560398e+00 1.96 6.081378828e+00 6.081378828e+00 1.98 5.101726658e+00 5.101726658e+00 2.00 4.196152768e+00 4.196152768e+00 2.02 3.359610681e+00 3.359610681e+00 2.04 2.587420090e+00 2.587420090e+00 2.06 1.875230395e+00 1.875230395e+00 2.08 1.218997379e+00 1.218997379e+00 2.10 6.150224538e-01 6.150224538e-01 2.12 5.987926194e-02 5.987926194e-02 2.14 -4.496433084e-01 -4.496433084e-01 2.16 -9.165550788e-01 -9.165550788e-01 2.18 -1.343677302e+00 -1.343677302e+00 2.20 -1.733654565e+00 -1.733654565e+00 2.22 -2.088965908e+00 -2.088965908e+00 2.24 -2.411935195e+00 -2.411935195e+00 2.26 -2.704740840e+00 -2.704740840e+00 2.28 -2.969424877e+00 -2.969424877e+00 2.30 -3.207901452e+00 -3.207901452e+00 2.32 -3.421964779e+00 -3.421964779e+00 2.34 -3.613296567e+00 -3.613296567e+00 2.36 -3.783472988e+00 -3.783472988e+00 2.38 -3.933971194e+00 -3.933971194e+00 2.40 -4.066175419e+00 -4.066175419e+00 2.42 -4.181382699e+00 -4.181382699e+00 2.44 -4.280808224e+00 -4.280808224e+00 2.46 -4.365590355e+00 -4.365590355e+00 2.48 -4.436795335e+00 -4.436795335e+00 2.50 -4.495447035e+00 -4.495447035e+00 2.52 -4.542635948e+00 -4.542635948e+00 2.54 -4.579407533e+00 -4.579407533e+00 2.56 -4.606724003e+00 -4.606724003e+00 2.58 -4.625473989e+00 -4.625473989e+00 2.60 -4.636468234e+00 -4.636468234e+00 2.62 -4.640445668e+00 -4.640445668e+00 2.64 -4.638079566e+00 -4.638079566e+00 2.66 -4.629983203e+00 -4.629983203e+00 2.68 -4.616715052e+00 -4.616715052e+00 2.70 -4.598783572e+00 -4.598783572e+00 2.72 -4.576651608e+00 -4.576651608e+00 2.74 -4.550740418e+00 -4.550740418e+00 2.76 -4.521433379e+00 -4.521433379e+00 2.78 -4.489079347e+00 -4.489079347e+00 2.80 -4.453995724e+00 -4.453995724e+00 2.82 -4.416471223e+00 -4.416471223e+00 2.84 -4.376768373e+00 -4.376768373e+00 2.86 -4.335125776e+00 -4.335125776e+00 2.88 -4.291760158e+00 -4.291760158e+00 2.90 -4.246868229e+00 -4.246868229e+00 2.92 -4.200628391e+00 -4.200628391e+00 2.94 -4.153202313e+00 -4.153202313e+00 2.96 -4.104736381e+00 -4.104736381e+00 2.98 -4.055363046e+00 -4.055363046e+00 3.00 -4.005202074e+00 -4.005202074e+00 3.02 -3.954361693e+00 -3.954361693e+00 3.04 -3.902939648e+00 -3.902939648e+00 3.06 -3.851024162e+00 -3.851024162e+00 3.08 -3.798694821e+00 -3.798694821e+00 3.10 -3.746023359e+00 -3.746023359e+00 3.12 -3.693074391e+00 -3.693074391e+00 3.14 -3.639906064e+00 -3.639906064e+00 3.16 -3.586570661e+00 -3.586570661e+00 3.18 -3.533115146e+00 -3.533115146e+00 3.20 -3.479581667e+00 -3.479581667e+00 3.22 -3.426008019e+00 -3.426008019e+00 3.24 -3.372428074e+00 -3.372428074e+00 3.26 -3.318872172e+00 -3.318872172e+00 3.28 -3.265367500e+00 -3.265367500e+00 3.30 -3.211938445e+00 -3.211938445e+00 3.32 -3.158606935e+00 -3.158606935e+00 3.34 -3.105392784e+00 -3.105392784e+00 3.36 -3.052314032e+00 -3.052314032e+00 3.38 -2.999387303e+00 -2.999387303e+00 3.40 -2.946628183e+00 -2.946628183e+00 3.42 -2.894051626e+00 -2.894051626e+00 3.44 -2.841672398e+00 -2.841672398e+00 3.46 -2.789505558e+00 -2.789505558e+00 3.48 -2.737566982e+00 -2.737566982e+00 3.50 -2.685873930e+00 -2.685873930e+00 3.52 -2.634445647e+00 -2.634445647e+00 3.54 -2.583303993e+00 -2.583303993e+00 3.56 -2.532474096e+00 -2.532474096e+00 3.58 -2.481984984e+00 -2.481984984e+00 3.60 -2.431870203e+00 -2.431870203e+00 3.62 -2.382168357e+00 -2.382168357e+00 3.64 -2.332923544e+00 -2.332923544e+00 3.66 -2.284185630e+00 -2.284185630e+00 3.68 -2.236010302e+00 -2.236010302e+00 3.70 -2.188458845e+00 -2.188458845e+00 3.72 -2.141597581e+00 -2.141597581e+00 3.74 -2.095496910e+00 -2.095496910e+00 3.76 -2.050229951e+00 -2.050229951e+00 3.78 -2.005870753e+00 -2.005870753e+00 3.80 -1.962492127e+00 -1.962492127e+00 3.82 -1.920163187e+00 -1.920163187e+00 3.84 -1.878946720e+00 -1.878946720e+00 3.86 -1.838896555e+00 -1.838896555e+00 3.88 -1.800055141e+00 -1.800055141e+00 3.90 -1.762451526e+00 -1.762451526e+00 3.92 -1.726099943e+00 -1.726099943e+00 3.94 -1.690999141e+00 -1.690999141e+00 3.96 -1.657132561e+00 -1.657132561e+00 3.98 -1.624469355e+00 -1.624469355e+00 4.00 -1.592966182e+00 -1.592966182e+00 4.02 -1.562569637e+00 -1.562569637e+00 4.04 -1.533219101e+00 -1.533219101e+00 4.06 -1.504849793e+00 -1.504849793e+00 4.08 -1.477395764e+00 -1.477395764e+00 4.10 -1.450792621e+00 -1.450792621e+00 4.12 -1.424979815e+00 -1.424979815e+00 4.14 -1.399902345e+00 -1.399902345e+00 4.16 -1.375511846e+00 -1.375511846e+00 4.18 -1.351767049e+00 -1.351767049e+00 4.20 -1.328633679e+00 -1.328633679e+00 4.22 -1.306083888e+00 -1.306083888e+00 4.24 -1.284095358e+00 -1.284095358e+00 4.26 -1.261758050e+00 -1.261758050e+00 4.28 -1.220491972e+00 -1.220491972e+00 4.30 -1.104765366e+00 -1.104765366e+00 4.32 -8.788071398e-01 -8.788071398e-01 4.34 -7.918947004e-01 -7.918947004e-01 4.36 -7.739866689e-01 -7.739866689e-01 4.38 -7.564087692e-01 -7.564087692e-01 4.40 -7.391566910e-01 -7.391566910e-01 4.42 -7.222263478e-01 -7.222263478e-01 4.44 -7.056137667e-01 -7.056137667e-01 4.46 -6.893150270e-01 -6.893150270e-01 4.48 -6.733262288e-01 -6.733262288e-01 4.50 -6.576434776e-01 -6.576434776e-01 4.52 -6.422628782e-01 -6.422628782e-01 4.54 -6.271805331e-01 -6.271805331e-01 4.56 -6.123925419e-01 -6.123925419e-01 4.58 -5.978950023e-01 -5.978950023e-01 4.60 -5.836840110e-01 -5.836840110e-01 4.62 -5.697556651e-01 -5.697556651e-01 4.64 -5.561060629e-01 -5.561060629e-01 4.66 -5.427313057e-01 -5.427313057e-01 4.68 -5.296274987e-01 -5.296274987e-01 4.70 -5.167907525e-01 -5.167907525e-01 4.72 -5.042171843e-01 -5.042171843e-01 4.74 -4.919029195e-01 -4.919029195e-01 4.76 -4.798440928e-01 -4.798440928e-01 4.78 -4.680368497e-01 -4.680368497e-01 4.80 -4.564773476e-01 -4.564773476e-01 4.82 -4.451617577e-01 -4.451617577e-01 4.84 -4.340862656e-01 -4.340862656e-01 4.86 -4.232470731e-01 -4.232470731e-01 4.88 -4.126403995e-01 -4.126403995e-01 4.90 -4.022624824e-01 -4.022624824e-01 4.92 -3.912427602e-01 -3.912427602e-01 4.94 -3.686858748e-01 -3.686858748e-01 4.96 -3.064548424e-01 -3.064548424e-01 4.98 -1.679052187e-01 -1.679052187e-01 5.00 -5.394246980e-23 -5.396737589e-23 5.02 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 5.18 0.000000000e+00 0.000000000e+00 5.20 0.000000000e+00 0.000000000e+00 5.22 0.000000000e+00 0.000000000e+00 5.24 0.000000000e+00 0.000000000e+00 5.26 0.000000000e+00 0.000000000e+00 5.28 0.000000000e+00 0.000000000e+00 5.30 0.000000000e+00 0.000000000e+00 5.32 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00