# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Fe-Al-Mn # implementation = 2025--Sharifi-H--Fe-Al-Mn--LAMMPS--ipr1 # composition = AlFeMn2 # 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 7.500585705e+02 7.500585705e+02 1.00 6.876807832e+02 6.876807832e+02 1.02 6.288791761e+02 6.288791761e+02 1.04 5.737908212e+02 5.737908212e+02 1.06 5.224519580e+02 5.224519580e+02 1.08 4.748244497e+02 4.748244497e+02 1.10 4.308158334e+02 4.308158334e+02 1.12 3.902946186e+02 3.902946186e+02 1.14 3.531020818e+02 3.531020818e+02 1.16 3.190614412e+02 3.190614412e+02 1.18 2.879850089e+02 2.879850089e+02 1.20 2.596797878e+02 2.596797878e+02 1.22 2.339518378e+02 2.339518378e+02 1.24 2.106096569e+02 2.106096569e+02 1.26 1.894667628e+02 1.894667628e+02 1.28 1.703436190e+02 1.703436190e+02 1.30 1.530690423e+02 1.530690423e+02 1.32 1.374810744e+02 1.374810744e+02 1.34 1.234896207e+02 1.234896207e+02 1.36 1.110031362e+02 1.110031362e+02 1.38 9.979479726e+01 9.979479726e+01 1.40 8.969329142e+01 8.969329142e+01 1.42 8.056780143e+01 8.056780143e+01 1.44 7.231434658e+01 7.231434658e+01 1.46 6.484685653e+01 6.484685653e+01 1.48 5.809145541e+01 5.809145541e+01 1.50 5.198288534e+01 5.198288534e+01 1.52 4.646232223e+01 4.646232223e+01 1.54 4.147607370e+01 4.147607370e+01 1.56 3.697481479e+01 3.697481479e+01 1.58 3.291313968e+01 3.291313968e+01 1.60 2.924928399e+01 2.924928399e+01 1.62 2.594492980e+01 2.594492980e+01 1.64 2.296504159e+01 2.296504159e+01 1.66 2.027770567e+01 2.027770567e+01 1.68 1.785396134e+01 1.785396134e+01 1.70 1.566762007e+01 1.566762007e+01 1.72 1.369507468e+01 1.369507468e+01 1.74 1.191510232e+01 1.191510232e+01 1.76 1.030866708e+01 1.030866708e+01 1.78 8.858774677e+00 8.858774677e+00 1.80 7.550285171e+00 7.550285171e+00 1.82 6.369655987e+00 6.369655987e+00 1.84 5.304761701e+00 5.304761701e+00 1.86 4.344707309e+00 4.344707309e+00 1.88 3.479668032e+00 3.479668032e+00 1.90 2.700776890e+00 2.700776890e+00 1.92 2.000017710e+00 2.000017710e+00 1.94 1.370119557e+00 1.370119557e+00 1.96 8.044782398e-01 8.044782398e-01 1.98 2.970959925e-01 2.970959925e-01 2.00 -1.574732449e-01 -1.574732449e-01 2.02 -5.641737517e-01 -5.641737517e-01 2.04 -9.274921545e-01 -9.274921545e-01 2.06 -1.251489450e+00 -1.251489450e+00 2.08 -1.539846786e+00 -1.539846786e+00 2.10 -1.795906004e+00 -1.795906004e+00 2.12 -2.022700583e+00 -2.022700583e+00 2.14 -2.222983747e+00 -2.222983747e+00 2.16 -2.399254690e+00 -2.399254690e+00 2.18 -2.553783294e+00 -2.553783294e+00 2.20 -2.688628943e+00 -2.688628943e+00 2.22 -2.805659344e+00 -2.805659344e+00 2.24 -2.906568277e+00 -2.906568277e+00 2.26 -2.992891710e+00 -2.992891710e+00 2.28 -3.066022185e+00 -3.066022185e+00 2.30 -3.127173235e+00 -3.127173235e+00 2.32 -3.177347927e+00 -3.177347927e+00 2.34 -3.217459447e+00 -3.217459447e+00 2.36 -3.248352743e+00 -3.248352743e+00 2.38 -3.270809706e+00 -3.270809706e+00 2.40 -3.285553969e+00 -3.285553969e+00 2.42 -3.293255303e+00 -3.293255303e+00 2.44 -3.294533673e+00 -3.294533673e+00 2.46 -3.289962986e+00 -3.289962986e+00 2.48 -3.280074533e+00 -3.280074533e+00 2.50 -3.265360169e+00 -3.265360169e+00 2.52 -3.246275237e+00 -3.246275237e+00 2.54 -3.223241265e+00 -3.223241265e+00 2.56 -3.196648440e+00 -3.196648440e+00 2.58 -3.167081675e+00 -3.167081675e+00 2.60 -3.136865214e+00 -3.136865214e+00 2.62 -3.103299511e+00 -3.103299511e+00 2.64 -3.065792647e+00 -3.065792647e+00 2.66 -3.026276226e+00 -3.026276226e+00 2.68 -2.984994243e+00 -2.984994243e+00 2.70 -2.942171626e+00 -2.942171626e+00 2.72 -2.898015453e+00 -2.898015453e+00 2.74 -2.852716068e+00 -2.852716068e+00 2.76 -2.806448160e+00 -2.806448160e+00 2.78 -2.759371799e+00 -2.759371799e+00 2.80 -2.711633463e+00 -2.711633463e+00 2.82 -2.663367061e+00 -2.663367061e+00 2.84 -2.614694947e+00 -2.614694947e+00 2.86 -2.565728927e+00 -2.565728927e+00 2.88 -2.516571224e+00 -2.516571224e+00 2.90 -2.467315391e+00 -2.467315391e+00 2.92 -2.418047136e+00 -2.418047136e+00 2.94 -2.368845059e+00 -2.368845059e+00 2.96 -2.319781284e+00 -2.319781284e+00 2.98 -2.270921984e+00 -2.270921984e+00 3.00 -2.222327823e+00 -2.222327823e+00 3.02 -2.174051615e+00 -2.174051615e+00 3.04 -2.126110018e+00 -2.126110018e+00 3.06 -2.078535321e+00 -2.078535321e+00 3.08 -2.031508975e+00 -2.031508975e+00 3.10 -1.984981468e+00 -1.984981468e+00 3.12 -1.938984812e+00 -1.938984812e+00 3.14 -1.893549202e+00 -1.893549202e+00 3.16 -1.848701447e+00 -1.848701447e+00 3.18 -1.804465191e+00 -1.804465191e+00 3.20 -1.760861142e+00 -1.760861142e+00 3.22 -1.717907290e+00 -1.717907290e+00 3.24 -1.675619110e+00 -1.675619110e+00 3.26 -1.634009762e+00 -1.634009762e+00 3.28 -1.593090274e+00 -1.593090274e+00 3.30 -1.552869720e+00 -1.552869720e+00 3.32 -1.513355384e+00 -1.513355384e+00 3.34 -1.474552906e+00 -1.474552906e+00 3.36 -1.436466431e+00 -1.436466431e+00 3.38 -1.399098730e+00 -1.399098730e+00 3.40 -1.362451320e+00 -1.362451320e+00 3.42 -1.326524565e+00 -1.326524565e+00 3.44 -1.291317770e+00 -1.291317770e+00 3.46 -1.256829259e+00 -1.256829259e+00 3.48 -1.223056445e+00 -1.223056445e+00 3.50 -1.189995894e+00 -1.189995894e+00 3.52 -1.157643376e+00 -1.157643376e+00 3.54 -1.125993922e+00 -1.125993922e+00 3.56 -1.095041864e+00 -1.095041864e+00 3.58 -1.064780888e+00 -1.064780888e+00 3.60 -1.035204077e+00 -1.035204077e+00 3.62 -1.006303961e+00 -1.006303961e+00 3.64 -9.780725620e-01 -9.780725620e-01 3.66 -9.505014464e-01 -9.505014464e-01 3.68 -9.235817701e-01 -9.235817701e-01 3.70 -8.973043286e-01 -8.973043286e-01 3.72 -8.716596028e-01 -8.716596028e-01 3.74 -8.466378037e-01 -8.466378037e-01 3.76 -8.222289137e-01 -8.222289137e-01 3.78 -7.984227248e-01 -7.984227248e-01 3.80 -7.752088740e-01 -7.752088740e-01 3.82 -7.525768746e-01 -7.525768746e-01 3.84 -7.305161445e-01 -7.305161445e-01 3.86 -7.090160315e-01 -7.090160315e-01 3.88 -6.880658362e-01 -6.880658362e-01 3.90 -6.676548318e-01 -6.676548318e-01 3.92 -6.477722827e-01 -6.477722827e-01 3.94 -6.284074608e-01 -6.284074608e-01 3.96 -6.095496609e-01 -6.095496609e-01 3.98 -5.911882138e-01 -5.911882138e-01 4.00 -5.733124991e-01 -5.733124991e-01 4.02 -5.559119567e-01 -5.559119567e-01 4.04 -5.389760969e-01 -5.389760969e-01 4.06 -5.224945098e-01 -5.224945098e-01 4.08 -5.064568742e-01 -5.064568742e-01 4.10 -4.908529651e-01 -4.908529651e-01 4.12 -4.756726607e-01 -4.756726607e-01 4.14 -4.609059486e-01 -4.609059486e-01 4.16 -4.465429317e-01 -4.465429317e-01 4.18 -4.325738329e-01 -4.325738329e-01 4.20 -4.189889996e-01 -4.189889996e-01 4.22 -4.057789072e-01 -4.057789072e-01 4.24 -3.929341631e-01 -3.929341631e-01 4.26 -3.801266165e-01 -3.801266165e-01 4.28 -3.608311941e-01 -3.608311941e-01 4.30 -3.150757131e-01 -3.150757131e-01 4.32 -2.207270247e-01 -2.207270247e-01 4.34 -1.756120505e-01 -1.756120505e-01 4.36 -1.679783025e-01 -1.679783025e-01 4.38 -1.606012099e-01 -1.606012099e-01 4.40 -1.534722470e-01 -1.534722470e-01 4.42 -1.465830882e-01 -1.465830882e-01 4.44 -1.399256049e-01 -1.399256049e-01 4.46 -1.334918629e-01 -1.334918629e-01 4.48 -1.272741188e-01 -1.272741188e-01 4.50 -1.212648166e-01 -1.212648166e-01 4.52 -1.154565844e-01 -1.154565844e-01 4.54 -1.098422307e-01 -1.098422307e-01 4.56 -1.044147403e-01 -1.044147403e-01 4.58 -9.916727127e-02 -9.916727127e-02 4.60 -9.409315032e-02 -9.409315032e-02 4.62 -8.918586932e-02 -8.918586932e-02 4.64 -8.443908124e-02 -8.443908124e-02 4.66 -7.984659611e-02 -7.984659611e-02 4.68 -7.540237711e-02 -7.540237711e-02 4.70 -7.110053646e-02 -7.110053646e-02 4.72 -6.693533149e-02 -6.693533149e-02 4.74 -6.290116058e-02 -6.290116058e-02 4.76 -5.899255922e-02 -5.899255922e-02 4.78 -5.520419603e-02 -5.520419603e-02 4.80 -5.153086886e-02 -5.153086886e-02 4.82 -4.796750093e-02 -4.796750093e-02 4.84 -4.450913702e-02 -4.450913702e-02 4.86 -4.115093968e-02 -4.115093968e-02 4.88 -3.788818563e-02 -3.788818563e-02 4.90 -3.471626211e-02 -3.471626211e-02 4.92 -3.183363423e-02 -3.183363423e-02 4.94 -3.178063082e-02 -3.178063082e-02 4.96 -3.873455777e-02 -3.873455777e-02 4.98 -4.094684447e-02 -4.094684447e-02 5.00 -1.721253497e-22 -1.721740892e-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