# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Co-Al-Mn # implementation = 2025--Sharifi-H--Co-Al-Mn--LAMMPS--ipr1 # composition = Al2CoMn # 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 5.548823507e+02 5.548823507e+02 1.00 5.058906252e+02 5.058906252e+02 1.02 4.609105523e+02 4.609105523e+02 1.04 4.196853662e+02 4.196853662e+02 1.06 3.819508023e+02 3.819508023e+02 1.08 3.474465939e+02 3.474465939e+02 1.10 3.159229500e+02 3.159229500e+02 1.12 2.871438389e+02 2.871438389e+02 1.14 2.608883142e+02 2.608883142e+02 1.16 2.369506851e+02 2.369506851e+02 1.18 2.151400543e+02 2.151400543e+02 1.20 1.952795462e+02 1.952795462e+02 1.22 1.772054156e+02 1.772054156e+02 1.24 1.607661500e+02 1.607661500e+02 1.26 1.458216172e+02 1.458216172e+02 1.28 1.322422801e+02 1.322422801e+02 1.30 1.199084875e+02 1.199084875e+02 1.32 1.087098285e+02 1.087098285e+02 1.34 9.854454501e+01 9.854454501e+01 1.36 8.931898942e+01 8.931898942e+01 1.38 8.094711819e+01 8.094711819e+01 1.40 7.335001366e+01 7.335001366e+01 1.42 6.645542807e+01 6.645542807e+01 1.44 6.019734476e+01 6.019734476e+01 1.46 5.451554810e+01 5.451554810e+01 1.48 4.935521576e+01 4.935521576e+01 1.50 4.466653615e+01 4.466653615e+01 1.52 4.040432963e+01 4.040432963e+01 1.54 3.652768396e+01 3.652768396e+01 1.56 3.299960625e+01 3.299960625e+01 1.58 2.978669267e+01 2.978669267e+01 1.60 2.685881570e+01 2.685881570e+01 1.62 2.418883055e+01 2.418883055e+01 1.64 2.175230061e+01 2.175230061e+01 1.66 1.952724186e+01 1.952724186e+01 1.68 1.749388661e+01 1.749388661e+01 1.70 1.563446578e+01 1.563446578e+01 1.72 1.393300922e+01 1.393300922e+01 1.74 1.237516369e+01 1.237516369e+01 1.76 1.094802844e+01 1.094802844e+01 1.78 9.640021381e+00 9.640021381e+00 1.80 8.440733653e+00 8.440733653e+00 1.82 7.340790890e+00 7.340790890e+00 1.84 6.331742710e+00 6.331742710e+00 1.86 5.405935845e+00 5.405935845e+00 1.88 4.556405421e+00 4.556405421e+00 1.90 3.776811985e+00 3.776811985e+00 1.92 3.061387526e+00 3.061387526e+00 1.94 2.404885987e+00 2.404885987e+00 1.96 1.802536731e+00 1.802536731e+00 1.98 1.249997638e+00 1.249997638e+00 2.00 7.433057200e-01 7.433057200e-01 2.02 2.788321959e-01 2.788321959e-01 2.04 -1.467390301e-01 -1.467390301e-01 2.06 -5.363763897e-01 -5.363763897e-01 2.08 -8.927764300e-01 -8.927764300e-01 2.10 -1.218425656e+00 -1.218425656e+00 2.12 -1.515617947e+00 -1.515617947e+00 2.14 -1.786470246e+00 -1.786470246e+00 2.16 -2.032936963e+00 -2.032936963e+00 2.18 -2.256823191e+00 -2.256823191e+00 2.20 -2.459796825e+00 -2.459796825e+00 2.22 -2.643399669e+00 -2.643399669e+00 2.24 -2.809057613e+00 -2.809057613e+00 2.26 -2.958089954e+00 -2.958089954e+00 2.28 -3.091717660e+00 -3.091717660e+00 2.30 -3.211022289e+00 -3.211022289e+00 2.32 -3.316909595e+00 -3.316909595e+00 2.34 -3.410225685e+00 -3.410225685e+00 2.36 -3.491774672e+00 -3.491774672e+00 2.38 -3.562320311e+00 -3.562320311e+00 2.40 -3.622587595e+00 -3.622587595e+00 2.42 -3.673264309e+00 -3.673264309e+00 2.44 -3.715002546e+00 -3.715002546e+00 2.46 -3.748420187e+00 -3.748420187e+00 2.48 -3.774102328e+00 -3.774102328e+00 2.50 -3.792612522e+00 -3.792612522e+00 2.52 -3.804520652e+00 -3.804520652e+00 2.54 -3.810369039e+00 -3.810369039e+00 2.56 -3.810663698e+00 -3.810663698e+00 2.58 -3.805879306e+00 -3.805879306e+00 2.60 -3.796479589e+00 -3.796479589e+00 2.62 -3.782904399e+00 -3.782904399e+00 2.64 -3.765560312e+00 -3.765560312e+00 2.66 -3.744822738e+00 -3.744822738e+00 2.68 -3.721037951e+00 -3.721037951e+00 2.70 -3.694524967e+00 -3.694524967e+00 2.72 -3.665577293e+00 -3.665577293e+00 2.74 -3.634464576e+00 -3.634464576e+00 2.76 -3.601434170e+00 -3.601434170e+00 2.78 -3.566712653e+00 -3.566712653e+00 2.80 -3.530507298e+00 -3.530507298e+00 2.82 -3.493007524e+00 -3.493007524e+00 2.84 -3.454386317e+00 -3.454386317e+00 2.86 -3.414801616e+00 -3.414801616e+00 2.88 -3.374397635e+00 -3.374397635e+00 2.90 -3.333306114e+00 -3.333306114e+00 2.92 -3.291647465e+00 -3.291647465e+00 2.94 -3.249531802e+00 -3.249531802e+00 2.96 -3.207059848e+00 -3.207059848e+00 2.98 -3.164323726e+00 -3.164323726e+00 3.00 -3.121407634e+00 -3.121407634e+00 3.02 -3.078382402e+00 -3.078382402e+00 3.04 -3.035243803e+00 -3.035243803e+00 3.06 -2.992030339e+00 -2.992030339e+00 3.08 -2.949101100e+00 -2.949101100e+00 3.10 -2.906316735e+00 -2.906316735e+00 3.12 -2.863720330e+00 -2.863720330e+00 3.14 -2.821354074e+00 -2.821354074e+00 3.16 -2.779255720e+00 -2.779255720e+00 3.18 -2.737458929e+00 -2.737458929e+00 3.20 -2.695993589e+00 -2.695993589e+00 3.22 -2.654886125e+00 -2.654886125e+00 3.24 -2.614159783e+00 -2.614159783e+00 3.26 -2.573834901e+00 -2.573834901e+00 3.28 -2.533929146e+00 -2.533929146e+00 3.30 -2.494457756e+00 -2.494457756e+00 3.32 -2.455433741e+00 -2.455433741e+00 3.34 -2.416868083e+00 -2.416868083e+00 3.36 -2.378769918e+00 -2.378769918e+00 3.38 -2.341146697e+00 -2.341146697e+00 3.40 -2.304004345e+00 -2.304004345e+00 3.42 -2.267347400e+00 -2.267347400e+00 3.44 -2.231179141e+00 -2.231179141e+00 3.46 -2.195501714e+00 -2.195501714e+00 3.48 -2.160316237e+00 -2.160316237e+00 3.50 -2.125622905e+00 -2.125622905e+00 3.52 -2.091421081e+00 -2.091421081e+00 3.54 -2.057709384e+00 -2.057709384e+00 3.56 -2.024485768e+00 -2.024485768e+00 3.58 -1.991747594e+00 -1.991747594e+00 3.60 -1.959491697e+00 -1.959491697e+00 3.62 -1.927714445e+00 -1.927714445e+00 3.64 -1.896411798e+00 -1.896411798e+00 3.66 -1.865579356e+00 -1.865579356e+00 3.68 -1.835212411e+00 -1.835212411e+00 3.70 -1.805305981e+00 -1.805305981e+00 3.72 -1.775854859e+00 -1.775854859e+00 3.74 -1.746853642e+00 -1.746853642e+00 3.76 -1.718296763e+00 -1.718296763e+00 3.78 -1.690178527e+00 -1.690178527e+00 3.80 -1.662493128e+00 -1.662493128e+00 3.82 -1.635234682e+00 -1.635234682e+00 3.84 -1.608397245e+00 -1.608397245e+00 3.86 -1.581974830e+00 -1.581974830e+00 3.88 -1.555961430e+00 -1.555961430e+00 3.90 -1.530351031e+00 -1.530351031e+00 3.92 -1.505137626e+00 -1.505137626e+00 3.94 -1.480315229e+00 -1.480315229e+00 3.96 -1.455877885e+00 -1.455877885e+00 3.98 -1.431819681e+00 -1.431819681e+00 4.00 -1.408134754e+00 -1.408134754e+00 4.02 -1.384817299e+00 -1.384817299e+00 4.04 -1.361861575e+00 -1.361861575e+00 4.06 -1.339261913e+00 -1.339261913e+00 4.08 -1.317012717e+00 -1.317012717e+00 4.10 -1.295108471e+00 -1.295108471e+00 4.12 -1.273543744e+00 -1.273543744e+00 4.14 -1.252313187e+00 -1.252313187e+00 4.16 -1.231411540e+00 -1.231411540e+00 4.18 -1.210833634e+00 -1.210833634e+00 4.20 -1.190574390e+00 -1.190574390e+00 4.22 -1.170628817e+00 -1.170628817e+00 4.24 -1.150992021e+00 -1.150992021e+00 4.26 -1.131239066e+00 -1.131239066e+00 4.28 -1.102604742e+00 -1.102604742e+00 4.30 -1.032812243e+00 -1.032812243e+00 4.32 -8.354349668e-01 -8.354349668e-01 4.34 -7.400369192e-01 -7.400369192e-01 4.36 -7.236414496e-01 -7.236414496e-01 4.38 -7.075775171e-01 -7.075775171e-01 4.40 -6.918391270e-01 -6.918391270e-01 4.42 -6.764203593e-01 -6.764203593e-01 4.44 -6.613153702e-01 -6.613153702e-01 4.46 -6.465183943e-01 -6.465183943e-01 4.48 -6.320237459e-01 -6.320237459e-01 4.50 -6.178258201e-01 -6.178258201e-01 4.52 -6.039190939e-01 -6.039190939e-01 4.54 -5.902981266e-01 -5.902981266e-01 4.56 -5.769575605e-01 -5.769575605e-01 4.58 -5.638921211e-01 -5.638921211e-01 4.60 -5.510966172e-01 -5.510966172e-01 4.62 -5.385659408e-01 -5.385659408e-01 4.64 -5.262950672e-01 -5.262950672e-01 4.66 -5.142790541e-01 -5.142790541e-01 4.68 -5.025130419e-01 -5.025130419e-01 4.70 -4.909922525e-01 -4.909922525e-01 4.72 -4.797119893e-01 -4.797119893e-01 4.74 -4.686676358e-01 -4.686676358e-01 4.76 -4.578546558e-01 -4.578546558e-01 4.78 -4.472685915e-01 -4.472685915e-01 4.80 -4.369050634e-01 -4.369050634e-01 4.82 -4.267597692e-01 -4.267597692e-01 4.84 -4.168284826e-01 -4.168284826e-01 4.86 -4.071070527e-01 -4.071070527e-01 4.88 -3.975914025e-01 -3.975914025e-01 4.90 -3.882775283e-01 -3.882775283e-01 4.92 -3.787841526e-01 -3.787841526e-01 4.94 -3.642129962e-01 -3.642129962e-01 4.96 -3.272468337e-01 -3.272468337e-01 4.98 -2.148602065e-01 -2.148602065e-01 5.00 -3.670366598e-22 -3.670098475e-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 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