# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Fe-Co-Al # implementation = 2025--Sharifi-H--Fe-Co-Al--LAMMPS--ipr1 # composition = Al2CoFe # 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 3.489444420e+02 3.489444420e+02 1.00 3.200958941e+02 3.200958941e+02 1.02 2.939082369e+02 2.939082369e+02 1.04 2.702487315e+02 2.702487315e+02 1.06 2.523501990e+02 2.523501990e+02 1.08 2.399097447e+02 2.399097447e+02 1.10 2.309954200e+02 2.309954200e+02 1.12 2.242041508e+02 2.242041508e+02 1.14 2.185408611e+02 2.185408611e+02 1.16 2.133213873e+02 2.133213873e+02 1.18 2.080958660e+02 2.080958660e+02 1.20 2.025885250e+02 2.025885250e+02 1.22 1.966506600e+02 1.966506600e+02 1.24 1.902242262e+02 1.902242262e+02 1.26 1.833138490e+02 1.833138490e+02 1.28 1.759655522e+02 1.759655522e+02 1.30 1.682507984e+02 1.682507984e+02 1.32 1.602546949e+02 1.602546949e+02 1.34 1.520674667e+02 1.520674667e+02 1.36 1.437784545e+02 1.437784545e+02 1.38 1.354720540e+02 1.354720540e+02 1.40 1.272251307e+02 1.272251307e+02 1.42 1.191055359e+02 1.191055359e+02 1.44 1.111714396e+02 1.111714396e+02 1.46 1.034712309e+02 1.034712309e+02 1.48 9.604384292e+01 9.604384292e+01 1.50 8.891937495e+01 8.891937495e+01 1.52 8.211985817e+01 8.211985817e+01 1.54 7.566011174e+01 7.566011174e+01 1.56 6.954863171e+01 6.954863171e+01 1.58 6.378847159e+01 6.378847159e+01 1.60 5.837808848e+01 5.837808848e+01 1.62 5.331213322e+01 5.331213322e+01 1.64 4.858217459e+01 4.858217459e+01 1.66 4.417735189e+01 4.417735189e+01 1.68 4.008495274e+01 4.008495274e+01 1.70 3.629091852e+01 3.629091852e+01 1.72 3.278027976e+01 3.278027976e+01 1.74 2.953752611e+01 2.953752611e+01 1.76 2.654691636e+01 2.654691636e+01 1.78 2.379273419e+01 2.379273419e+01 1.80 2.125949533e+01 2.125949533e+01 1.82 1.893211088e+01 1.893211088e+01 1.84 1.679601399e+01 1.679601399e+01 1.86 1.483725439e+01 1.483725439e+01 1.88 1.304256537e+01 1.304256537e+01 1.90 1.139940775e+01 1.139940775e+01 1.92 9.895994538e+00 9.895994538e+00 1.94 8.521299751e+00 8.521299751e+00 1.96 7.265052895e+00 7.265052895e+00 1.98 6.117717529e+00 6.117717529e+00 2.00 5.070457396e+00 5.070457396e+00 2.02 4.115098999e+00 4.115098999e+00 2.04 3.244122406e+00 3.244122406e+00 2.06 2.450776399e+00 2.450776399e+00 2.08 1.728920936e+00 1.728920936e+00 2.10 1.072893310e+00 1.072893310e+00 2.12 4.774646241e-01 4.774646241e-01 2.14 -6.219687257e-02 -6.219687257e-02 2.16 -5.505554268e-01 -5.505554268e-01 2.18 -9.917350495e-01 -9.917350495e-01 2.20 -1.389544843e+00 -1.389544843e+00 2.22 -1.747502436e+00 -1.747502436e+00 2.24 -2.068855653e+00 -2.068855653e+00 2.26 -2.356602654e+00 -2.356602654e+00 2.28 -2.613510546e+00 -2.613510546e+00 2.30 -2.842132620e+00 -2.842132620e+00 2.32 -3.044824369e+00 -3.044824369e+00 2.34 -3.223758271e+00 -3.223758271e+00 2.36 -3.380937519e+00 -3.380937519e+00 2.38 -3.518208743e+00 -3.518208743e+00 2.40 -3.637273772e+00 -3.637273772e+00 2.42 -3.739700557e+00 -3.739700557e+00 2.44 -3.826933283e+00 -3.826933283e+00 2.46 -3.900301722e+00 -3.900301722e+00 2.48 -3.961029910e+00 -3.961029910e+00 2.50 -4.010258392e+00 -4.010258392e+00 2.52 -4.049089965e+00 -4.049089965e+00 2.54 -4.078545746e+00 -4.078545746e+00 2.56 -4.099557114e+00 -4.099557114e+00 2.58 -4.112975827e+00 -4.112975827e+00 2.60 -4.119599152e+00 -4.119599152e+00 2.62 -4.120161258e+00 -4.120161258e+00 2.64 -4.115327815e+00 -4.115327815e+00 2.66 -4.105701755e+00 -4.105701755e+00 2.68 -4.091828661e+00 -4.091828661e+00 2.70 -4.074201720e+00 -4.074201720e+00 2.72 -4.053266283e+00 -4.053266283e+00 2.74 -4.029424050e+00 -4.029424050e+00 2.76 -4.003036928e+00 -4.003036928e+00 2.78 -3.974430568e+00 -3.974430568e+00 2.80 -3.943897614e+00 -3.943897614e+00 2.82 -3.911700692e+00 -3.911700692e+00 2.84 -3.878075147e+00 -3.878075147e+00 2.86 -3.843231551e+00 -3.843231551e+00 2.88 -3.807358014e+00 -3.807358014e+00 2.90 -3.770622285e+00 -3.770622285e+00 2.92 -3.733173692e+00 -3.733173692e+00 2.94 -3.695144904e+00 -3.695144904e+00 2.96 -3.656653550e+00 -3.656653550e+00 2.98 -3.617803700e+00 -3.617803700e+00 3.00 -3.578687209e+00 -3.578687209e+00 3.02 -3.539365662e+00 -3.539365662e+00 3.04 -3.499675334e+00 -3.499675334e+00 3.06 -3.459593585e+00 -3.459593585e+00 3.08 -3.420174517e+00 -3.420174517e+00 3.10 -3.380823215e+00 -3.380823215e+00 3.12 -3.341567047e+00 -3.341567047e+00 3.14 -3.302440914e+00 -3.302440914e+00 3.16 -3.263474782e+00 -3.263474782e+00 3.18 -3.224694252e+00 -3.224694252e+00 3.20 -3.186121079e+00 -3.186121079e+00 3.22 -3.147773636e+00 -3.147773636e+00 3.24 -3.109667341e+00 -3.109667341e+00 3.26 -3.071815032e+00 -3.071815032e+00 3.28 -3.034227305e+00 -3.034227305e+00 3.30 -2.996912824e+00 -2.996912824e+00 3.32 -2.959878589e+00 -2.959878589e+00 3.34 -2.923130180e+00 -2.923130180e+00 3.36 -2.886671974e+00 -2.886671974e+00 3.38 -2.850507336e+00 -2.850507336e+00 3.40 -2.814638787e+00 -2.814638787e+00 3.42 -2.779068156e+00 -2.779068156e+00 3.44 -2.743796706e+00 -2.743796706e+00 3.46 -2.708825254e+00 -2.708825254e+00 3.48 -2.674154262e+00 -2.674154262e+00 3.50 -2.639783930e+00 -2.639783930e+00 3.52 -2.605714264e+00 -2.605714264e+00 3.54 -2.571945138e+00 -2.571945138e+00 3.56 -2.538476348e+00 -2.538476348e+00 3.58 -2.505307652e+00 -2.505307652e+00 3.60 -2.472438805e+00 -2.472438805e+00 3.62 -2.439869589e+00 -2.439869589e+00 3.64 -2.407599831e+00 -2.407599831e+00 3.66 -2.375629418e+00 -2.375629418e+00 3.68 -2.343958312e+00 -2.343958312e+00 3.70 -2.312586549e+00 -2.312586549e+00 3.72 -2.281514248e+00 -2.281514248e+00 3.74 -2.250741606e+00 -2.250741606e+00 3.76 -2.220268894e+00 -2.220268894e+00 3.78 -2.190096452e+00 -2.190096452e+00 3.80 -2.160224682e+00 -2.160224682e+00 3.82 -2.130654036e+00 -2.130654036e+00 3.84 -2.101385005e+00 -2.101385005e+00 3.86 -2.072418111e+00 -2.072418111e+00 3.88 -2.043753889e+00 -2.043753889e+00 3.90 -2.015392879e+00 -2.015392879e+00 3.92 -1.987335610e+00 -1.987335610e+00 3.94 -1.959582592e+00 -1.959582592e+00 3.96 -1.932134296e+00 -1.932134296e+00 3.98 -1.904991151e+00 -1.904991151e+00 4.00 -1.878153523e+00 -1.878153523e+00 4.02 -1.851621712e+00 -1.851621712e+00 4.04 -1.825395937e+00 -1.825395937e+00 4.06 -1.799476326e+00 -1.799476326e+00 4.08 -1.773862907e+00 -1.773862907e+00 4.10 -1.748555598e+00 -1.748555598e+00 4.12 -1.723554195e+00 -1.723554195e+00 4.14 -1.698858363e+00 -1.698858363e+00 4.16 -1.674467624e+00 -1.674467624e+00 4.18 -1.650381345e+00 -1.650381345e+00 4.20 -1.626598721e+00 -1.626598721e+00 4.22 -1.603118764e+00 -1.603118764e+00 4.24 -1.579940280e+00 -1.579940280e+00 4.26 -1.556700849e+00 -1.556700849e+00 4.28 -1.526132687e+00 -1.526132687e+00 4.30 -1.467162736e+00 -1.467162736e+00 4.32 -1.347471937e+00 -1.347471937e+00 4.34 -1.281404523e+00 -1.281404523e+00 4.36 -1.261145717e+00 -1.261145717e+00 4.38 -1.241096023e+00 -1.241096023e+00 4.40 -1.221258084e+00 -1.221258084e+00 4.42 -1.201634089e+00 -1.201634089e+00 4.44 -1.182225810e+00 -1.182225810e+00 4.46 -1.163034649e+00 -1.163034649e+00 4.48 -1.144061687e+00 -1.144061687e+00 4.50 -1.125307725e+00 -1.125307725e+00 4.52 -1.106773326e+00 -1.106773326e+00 4.54 -1.088458854e+00 -1.088458854e+00 4.56 -1.070364505e+00 -1.070364505e+00 4.58 -1.052490329e+00 -1.052490329e+00 4.60 -1.034836253e+00 -1.034836253e+00 4.62 -1.017402097e+00 -1.017402097e+00 4.64 -1.000187582e+00 -1.000187582e+00 4.66 -9.831923437e-01 -9.831923437e-01 4.68 -9.664159375e-01 -9.664159375e-01 4.70 -9.498578415e-01 -9.498578415e-01 4.72 -9.335174614e-01 -9.335174614e-01 4.74 -9.173941333e-01 -9.173941333e-01 4.76 -9.014871258e-01 -9.014871258e-01 4.78 -8.857956417e-01 -8.857956417e-01 4.80 -8.703188201e-01 -8.703188201e-01 4.82 -8.550557376e-01 -8.550557376e-01 4.84 -8.400054105e-01 -8.400054105e-01 4.86 -8.251667960e-01 -8.251667960e-01 4.88 -8.105387939e-01 -8.105387939e-01 4.90 -7.961202485e-01 -7.961202485e-01 4.92 -7.807321999e-01 -7.807321999e-01 4.94 -7.491845677e-01 -7.491845677e-01 4.96 -6.558234696e-01 -6.558234696e-01 4.98 -4.035269054e-01 -4.035269054e-01 5.00 -5.238909078e-22 -5.246052348e-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 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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