# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2024--Huang-S-Xiong-Y-Ma-S-et-al--Ni-Al-Co-Ti # implementation = 2024--Huang-S--Ni-Al-Co-Ti--LAMMPS--ipr1 # composition = AlCo2Ti # 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 6.132971559e+02 6.132971559e+02 1.00 5.629844979e+02 5.629844979e+02 1.02 5.146524323e+02 5.146524323e+02 1.04 4.686777482e+02 4.686777482e+02 1.06 4.255294397e+02 4.255294397e+02 1.08 3.854526544e+02 3.854526544e+02 1.10 3.485319519e+02 3.485319519e+02 1.12 3.147448437e+02 3.147448437e+02 1.14 2.842586729e+02 2.842586729e+02 1.16 2.569387408e+02 2.569387408e+02 1.18 2.324562830e+02 2.324562830e+02 1.20 2.105064505e+02 2.105064505e+02 1.22 1.908108131e+02 1.908108131e+02 1.24 1.731179583e+02 1.731179583e+02 1.26 1.572028498e+02 1.572028498e+02 1.28 1.428654033e+02 1.428654033e+02 1.30 1.299286130e+02 1.299286130e+02 1.32 1.182364594e+02 1.182364594e+02 1.34 1.076517590e+02 1.076517590e+02 1.36 9.805406509e+01 9.805406509e+01 1.38 8.933768155e+01 8.933768155e+01 1.40 8.140983365e+01 8.140983365e+01 1.42 7.418901302e+01 7.418901302e+01 1.44 6.760350003e+01 6.760350003e+01 1.46 6.159006306e+01 6.159006306e+01 1.48 5.609282194e+01 5.609282194e+01 1.50 5.106226283e+01 5.106226283e+01 1.52 4.645439120e+01 4.645439120e+01 1.54 4.223000493e+01 4.223000493e+01 1.56 3.835407418e+01 3.835407418e+01 1.58 3.479521373e+01 3.479521373e+01 1.60 3.152523337e+01 3.152523337e+01 1.62 2.851875619e+01 2.851875619e+01 1.64 2.575289354e+01 2.575289354e+01 1.66 2.320696723e+01 2.320696723e+01 1.68 2.086227219e+01 2.086227219e+01 1.70 1.870187198e+01 1.870187198e+01 1.72 1.671042176e+01 1.671042176e+01 1.74 1.487401446e+01 1.487401446e+01 1.76 1.318004535e+01 1.318004535e+01 1.78 1.161707267e+01 1.161707267e+01 1.80 1.017464691e+01 1.017464691e+01 1.82 8.843208628e+00 8.843208628e+00 1.84 7.614024049e+00 7.614024049e+00 1.86 6.479125744e+00 6.479125744e+00 1.88 5.431257053e+00 5.431257053e+00 1.90 4.463820087e+00 4.463820087e+00 1.92 3.570826710e+00 3.570826710e+00 1.94 2.746852320e+00 2.746852320e+00 1.96 1.986992296e+00 1.986992296e+00 1.98 1.286820573e+00 1.286820573e+00 2.00 6.423371501e-01 6.423371501e-01 2.02 4.988977676e-02 4.988977676e-02 2.04 -4.938860212e-01 -4.938860212e-01 2.06 -9.921279943e-01 -9.921279943e-01 2.08 -1.447786802e+00 -1.447786802e+00 2.10 -1.863638211e+00 -1.863638211e+00 2.12 -2.242293053e+00 -2.242293053e+00 2.14 -2.586206639e+00 -2.586206639e+00 2.16 -2.897687644e+00 -2.897687644e+00 2.18 -3.178906490e+00 -3.178906490e+00 2.20 -3.431903266e+00 -3.431903266e+00 2.22 -3.658595203e+00 -3.658595203e+00 2.24 -3.860783723e+00 -3.860783723e+00 2.26 -4.040161101e+00 -4.040161101e+00 2.28 -4.198316751e+00 -4.198316751e+00 2.30 -4.336743154e+00 -4.336743154e+00 2.32 -4.456841460e+00 -4.456841460e+00 2.34 -4.559926767e+00 -4.559926767e+00 2.36 -4.647233105e+00 -4.647233105e+00 2.38 -4.719918148e+00 -4.719918148e+00 2.40 -4.779067644e+00 -4.779067644e+00 2.42 -4.825699607e+00 -4.825699607e+00 2.44 -4.860768269e+00 -4.860768269e+00 2.46 -4.885167804e+00 -4.885167804e+00 2.48 -4.899735850e+00 -4.899735850e+00 2.50 -4.905256820e+00 -4.905256820e+00 2.52 -4.902465037e+00 -4.902465037e+00 2.54 -4.892047681e+00 -4.892047681e+00 2.56 -4.874647574e+00 -4.874647574e+00 2.58 -4.850865806e+00 -4.850865806e+00 2.60 -4.821264209e+00 -4.821264209e+00 2.62 -4.786367691e+00 -4.786367691e+00 2.64 -4.746666437e+00 -4.746666437e+00 2.66 -4.702617988e+00 -4.702617988e+00 2.68 -4.654649190e+00 -4.654649190e+00 2.70 -4.603158043e+00 -4.603158043e+00 2.72 -4.548515441e+00 -4.548515441e+00 2.74 -4.491066805e+00 -4.491066805e+00 2.76 -4.431133630e+00 -4.431133630e+00 2.78 -4.369014941e+00 -4.369014941e+00 2.80 -4.304988662e+00 -4.304988662e+00 2.82 -4.239312910e+00 -4.239312910e+00 2.84 -4.172227211e+00 -4.172227211e+00 2.86 -4.103953645e+00 -4.103953645e+00 2.88 -4.034697930e+00 -4.034697930e+00 2.90 -3.964650435e+00 -3.964650435e+00 2.92 -3.893987139e+00 -3.893987139e+00 2.94 -3.822870536e+00 -3.822870536e+00 2.96 -3.751450478e+00 -3.751450478e+00 2.98 -3.679864983e+00 -3.679864983e+00 3.00 -3.608240977e+00 -3.608240977e+00 3.02 -3.536695014e+00 -3.536695014e+00 3.04 -3.465333941e+00 -3.465333941e+00 3.06 -3.394255514e+00 -3.394255514e+00 3.08 -3.323548961e+00 -3.323548961e+00 3.10 -3.253295622e+00 -3.253295622e+00 3.12 -3.183569403e+00 -3.183569403e+00 3.14 -3.114437280e+00 -3.114437280e+00 3.16 -3.045959764e+00 -3.045959764e+00 3.18 -2.978191334e+00 -2.978191334e+00 3.20 -2.911180848e+00 -2.911180848e+00 3.22 -2.844971920e+00 -2.844971920e+00 3.24 -2.779603285e+00 -2.779603285e+00 3.26 -2.715109138e+00 -2.715109138e+00 3.28 -2.651519446e+00 -2.651519446e+00 3.30 -2.588860251e+00 -2.588860251e+00 3.32 -2.527153949e+00 -2.527153949e+00 3.34 -2.466419550e+00 -2.466419550e+00 3.36 -2.406672929e+00 -2.406672929e+00 3.38 -2.347927056e+00 -2.347927056e+00 3.40 -2.290192208e+00 -2.290192208e+00 3.42 -2.233476180e+00 -2.233476180e+00 3.44 -2.177784470e+00 -2.177784470e+00 3.46 -2.123120461e+00 -2.123120461e+00 3.48 -2.069485585e+00 -2.069485585e+00 3.50 -2.016879483e+00 -2.016879483e+00 3.52 -1.965300150e+00 -1.965300150e+00 3.54 -1.914744072e+00 -1.914744072e+00 3.56 -1.865206354e+00 -1.865206354e+00 3.58 -1.816680843e+00 -1.816680843e+00 3.60 -1.769160237e+00 -1.769160237e+00 3.62 -1.722636190e+00 -1.722636190e+00 3.64 -1.677099411e+00 -1.677099411e+00 3.66 -1.632539758e+00 -1.632539758e+00 3.68 -1.588946317e+00 -1.588946317e+00 3.70 -1.546307486e+00 -1.546307486e+00 3.72 -1.504611048e+00 -1.504611048e+00 3.74 -1.463844241e+00 -1.463844241e+00 3.76 -1.423993819e+00 -1.423993819e+00 3.78 -1.385046117e+00 -1.385046117e+00 3.80 -1.346987101e+00 -1.346987101e+00 3.82 -1.309802423e+00 -1.309802423e+00 3.84 -1.273477467e+00 -1.273477467e+00 3.86 -1.237997396e+00 -1.237997396e+00 3.88 -1.203347190e+00 -1.203347190e+00 3.90 -1.169511687e+00 -1.169511687e+00 3.92 -1.136475614e+00 -1.136475614e+00 3.94 -1.104223626e+00 -1.104223626e+00 3.96 -1.072740329e+00 -1.072740329e+00 3.98 -1.042010313e+00 -1.042010313e+00 4.00 -1.012018174e+00 -1.012018174e+00 4.02 -9.827485393e-01 -9.827485393e-01 4.04 -9.541860893e-01 -9.541860893e-01 4.06 -9.263155752e-01 -9.263155752e-01 4.08 -8.991218388e-01 -8.991218388e-01 4.10 -8.725898281e-01 -8.725898281e-01 4.12 -8.467046124e-01 -8.467046124e-01 4.14 -8.214513962e-01 -8.214513962e-01 4.16 -7.968155311e-01 -7.968155311e-01 4.18 -7.727825274e-01 -7.727825274e-01 4.20 -7.493380638e-01 -7.493380638e-01 4.22 -7.264679968e-01 -7.264679968e-01 4.24 -7.041583684e-01 -7.041583684e-01 4.26 -6.824729902e-01 -6.824729902e-01 4.28 -6.629327168e-01 -6.629327168e-01 4.30 -6.476161068e-01 -6.476161068e-01 4.32 -6.256021791e-01 -6.256021791e-01 4.34 -6.022079223e-01 -6.022079223e-01 4.36 -5.838455403e-01 -5.838455403e-01 4.38 -5.659045372e-01 -5.659045372e-01 4.40 -5.483745148e-01 -5.483745148e-01 4.42 -5.312452290e-01 -5.312452290e-01 4.44 -5.145065921e-01 -5.145065921e-01 4.46 -4.981486753e-01 -4.981486753e-01 4.48 -4.821617109e-01 -4.821617109e-01 4.50 -4.665360935e-01 -4.665360935e-01 4.52 -4.512623821e-01 -4.512623821e-01 4.54 -4.363313011e-01 -4.363313011e-01 4.56 -4.217337411e-01 -4.217337411e-01 4.58 -4.074607606e-01 -4.074607606e-01 4.60 -3.935035856e-01 -3.935035856e-01 4.62 -3.798536115e-01 -3.798536115e-01 4.64 -3.665024025e-01 -3.665024025e-01 4.66 -3.534416928e-01 -3.534416928e-01 4.68 -3.406633867e-01 -3.406633867e-01 4.70 -3.281595591e-01 -3.281595591e-01 4.72 -3.159224555e-01 -3.159224555e-01 4.74 -3.039444928e-01 -3.039444928e-01 4.76 -2.922182594e-01 -2.922182594e-01 4.78 -2.807365157e-01 -2.807365157e-01 4.80 -2.694921945e-01 -2.694921945e-01 4.82 -2.584784019e-01 -2.584784019e-01 4.84 -2.476884175e-01 -2.476884175e-01 4.86 -2.371156955e-01 -2.371156955e-01 4.88 -2.267538655e-01 -2.267538655e-01 4.90 -2.165967338e-01 -2.165967338e-01 4.92 -2.065299099e-01 -2.065299099e-01 4.94 -1.951995588e-01 -1.951995588e-01 4.96 -1.762291196e-01 -1.762291196e-01 4.98 -1.202459988e-01 -1.202459988e-01 5.00 -3.275333425e-22 -3.272667594e-22 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 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