# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2022--Daramola-A-Bonny-G-Adjanor-G-et-al--Fe-Ni-Cr-Mn # implementation = 2022--Daramola-A--Fe-Ni-Cr-Mn--LAMMPS--ipr1 # composition = FeMn2Ni # 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 2024-11-27 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 nan nan 1.00 1.317487767e+04 1.317487767e+04 1.02 1.200231457e+04 1.200231457e+04 1.04 1.092838764e+04 1.092838764e+04 1.06 9.947444158e+03 9.947444158e+03 1.08 9.051289785e+03 9.051289785e+03 1.10 8.228875377e+03 8.228875377e+03 1.12 7.472297416e+03 7.472297416e+03 1.14 6.775179480e+03 6.775179480e+03 1.16 6.132213031e+03 6.132213031e+03 1.18 5.539533360e+03 5.539533360e+03 1.20 4.993262186e+03 4.993262186e+03 1.22 4.488253376e+03 4.488253376e+03 1.24 4.020036214e+03 4.020036214e+03 1.26 3.585294235e+03 3.585294235e+03 1.28 3.180987262e+03 3.180987262e+03 1.30 2.804169449e+03 2.804169449e+03 1.32 2.452378277e+03 2.452378277e+03 1.34 2.124217268e+03 2.124217268e+03 1.36 1.820147570e+03 1.820147570e+03 1.38 1.539942120e+03 1.539942120e+03 1.40 1.280513491e+03 1.280513491e+03 1.42 1.038834469e+03 1.038834469e+03 1.44 8.275526148e+02 8.275526148e+02 1.46 6.607787706e+02 6.607787706e+02 1.48 5.289678870e+02 5.289678870e+02 1.50 4.245605660e+02 4.245605660e+02 1.52 3.415397307e+02 3.415397307e+02 1.54 2.751997284e+02 2.751997284e+02 1.56 2.219856875e+02 2.219856875e+02 1.58 1.791956423e+02 1.791956423e+02 1.60 1.446782330e+02 1.446782330e+02 1.62 1.167481159e+02 1.167481159e+02 1.64 9.413346527e+01 9.413346527e+01 1.66 7.584345447e+01 7.584345447e+01 1.68 6.105352982e+01 6.105352982e+01 1.70 4.905946877e+01 4.905946877e+01 1.72 3.929250785e+01 3.929250785e+01 1.74 3.131505165e+01 3.131505165e+01 1.76 2.479480115e+01 2.479480115e+01 1.78 1.947520426e+01 1.947520426e+01 1.80 1.514865424e+01 1.514865424e+01 1.82 1.164350357e+01 1.164350357e+01 1.84 8.814365161e+00 8.814365161e+00 1.86 6.538203046e+00 6.538203046e+00 1.88 4.711546329e+00 4.711546329e+00 1.90 3.247387493e+00 3.247387493e+00 1.92 2.073490690e+00 2.073490690e+00 1.94 1.130127562e+00 1.130127562e+00 1.96 3.670542382e-01 3.670542382e-01 1.98 -2.593387319e-01 -2.593387319e-01 2.00 -7.858455691e-01 -7.858455691e-01 2.02 -1.239465547e+00 -1.239465547e+00 2.04 -1.634650683e+00 -1.634650683e+00 2.06 -1.980935716e+00 -1.980935716e+00 2.08 -2.285444854e+00 -2.285444854e+00 2.10 -2.553613573e+00 -2.553613573e+00 2.12 -2.789284476e+00 -2.789284476e+00 2.14 -2.994124369e+00 -2.994124369e+00 2.16 -3.168438444e+00 -3.168438444e+00 2.18 -3.312079161e+00 -3.312079161e+00 2.20 -3.426130700e+00 -3.426130700e+00 2.22 -3.511955756e+00 -3.511955756e+00 2.24 -3.571134946e+00 -3.571134946e+00 2.26 -3.607284872e+00 -3.607284872e+00 2.28 -3.624583347e+00 -3.624583347e+00 2.30 -3.627769742e+00 -3.627769742e+00 2.32 -3.622477747e+00 -3.622477747e+00 2.34 -3.614912296e+00 -3.614912296e+00 2.36 -3.609609959e+00 -3.609609959e+00 2.38 -3.606897659e+00 -3.606897659e+00 2.40 -3.604807281e+00 -3.604807281e+00 2.42 -3.600861973e+00 -3.600861973e+00 2.44 -3.592996032e+00 -3.592996032e+00 2.46 -3.579788382e+00 -3.579788382e+00 2.48 -3.560856337e+00 -3.560856337e+00 2.50 -3.536480373e+00 -3.536480373e+00 2.52 -3.507145617e+00 -3.507145617e+00 2.54 -3.473517381e+00 -3.473517381e+00 2.56 -3.436261729e+00 -3.436261729e+00 2.58 -3.396039643e+00 -3.396039643e+00 2.60 -3.353505810e+00 -3.353505810e+00 2.62 -3.309284829e+00 -3.309284829e+00 2.64 -3.263984695e+00 -3.263984695e+00 2.66 -3.218206557e+00 -3.218206557e+00 2.68 -3.172277183e+00 -3.172277183e+00 2.70 -3.126126692e+00 -3.126126692e+00 2.72 -3.079649895e+00 -3.079649895e+00 2.74 -3.032697458e+00 -3.032697458e+00 2.76 -2.985040823e+00 -2.985040823e+00 2.78 -2.936446681e+00 -2.936446681e+00 2.80 -2.886687135e+00 -2.886687135e+00 2.82 -2.835544054e+00 -2.835544054e+00 2.84 -2.782949047e+00 -2.782949047e+00 2.86 -2.729095124e+00 -2.729095124e+00 2.88 -2.674194162e+00 -2.674194162e+00 2.90 -2.618452288e+00 -2.618452288e+00 2.92 -2.562078209e+00 -2.562078209e+00 2.94 -2.505287024e+00 -2.505287024e+00 2.96 -2.448298633e+00 -2.448298633e+00 2.98 -2.391337499e+00 -2.391337499e+00 3.00 -2.334604345e+00 -2.334604345e+00 3.02 -2.278131842e+00 -2.278131842e+00 3.04 -2.221920869e+00 -2.221920869e+00 3.06 -2.165971561e+00 -2.165971561e+00 3.08 -2.110274871e+00 -2.110274871e+00 3.10 -2.054676578e+00 -2.054676578e+00 3.12 -1.998846261e+00 -1.998846261e+00 3.14 -1.942430500e+00 -1.942430500e+00 3.16 -1.885170427e+00 -1.885170427e+00 3.18 -1.827190421e+00 -1.827190421e+00 3.20 -1.768695369e+00 -1.768695369e+00 3.22 -1.709897118e+00 -1.709897118e+00 3.24 -1.651058006e+00 -1.651058006e+00 3.26 -1.592565352e+00 -1.592565352e+00 3.28 -1.534972686e+00 -1.534972686e+00 3.30 -1.478997623e+00 -1.478997623e+00 3.32 -1.425315901e+00 -1.425315901e+00 3.34 -1.374126829e+00 -1.374126829e+00 3.36 -1.325261651e+00 -1.325261651e+00 3.38 -1.278253891e+00 -1.278253891e+00 3.40 -1.232432441e+00 -1.232432441e+00 3.42 -1.187066887e+00 -1.187066887e+00 3.44 -1.141484168e+00 -1.141484168e+00 3.46 -1.095276087e+00 -1.095276087e+00 3.48 -1.048292170e+00 -1.048292170e+00 3.50 -1.000609860e+00 -1.000609860e+00 3.52 -9.523883701e-01 -9.523883701e-01 3.54 -9.037871762e-01 -9.037871762e-01 3.56 -8.549646357e-01 -8.549646357e-01 3.58 -8.060777593e-01 -8.060777593e-01 3.60 -7.572845656e-01 -7.572845656e-01 3.62 -7.087823579e-01 -7.087823579e-01 3.64 -6.607987381e-01 -6.607987381e-01 3.66 -6.135601552e-01 -6.135601552e-01 3.68 -5.672982527e-01 -5.672982527e-01 3.70 -5.218948645e-01 -5.218948645e-01 3.72 -4.785898440e-01 -4.785898440e-01 3.74 -4.388747811e-01 -4.388747811e-01 3.76 -3.997178593e-01 -3.997178593e-01 3.78 -3.590748635e-01 -3.590748635e-01 3.80 -3.178674170e-01 -3.178674170e-01 3.82 -2.797032037e-01 -2.797032037e-01 3.84 -2.468634169e-01 -2.468634169e-01 3.86 -2.198951689e-01 -2.198951689e-01 3.88 -1.986190790e-01 -1.986190790e-01 3.90 -1.826208488e-01 -1.826208488e-01 3.92 -1.711692902e-01 -1.711692902e-01 3.94 -1.634284341e-01 -1.634284341e-01 3.96 -1.585939782e-01 -1.585939782e-01 3.98 -1.559599465e-01 -1.559599465e-01 4.00 -1.547040726e-01 -1.547040726e-01 4.02 -1.541641597e-01 -1.541641597e-01 4.04 -1.540528832e-01 -1.540528832e-01 4.06 -1.541858657e-01 -1.541858657e-01 4.08 -1.543943578e-01 -1.543943578e-01 4.10 -1.545194378e-01 -1.545194378e-01 4.12 -1.544158646e-01 -1.544158646e-01 4.14 -1.539465059e-01 -1.539465059e-01 4.16 -1.529962872e-01 -1.529962872e-01 4.18 -1.515558692e-01 -1.515558692e-01 4.20 -1.496568594e-01 -1.496568594e-01 4.22 -1.473048017e-01 -1.473048017e-01 4.24 -1.445123263e-01 -1.445123263e-01 4.26 -1.413494932e-01 -1.413494932e-01 4.28 -1.378938439e-01 -1.378938439e-01 4.30 -1.342106416e-01 -1.342106416e-01 4.32 -1.303546419e-01 -1.303546419e-01 4.34 -1.263715306e-01 -1.263715306e-01 4.36 -1.222990608e-01 -1.222990608e-01 4.38 -1.181680645e-01 -1.181680645e-01 4.40 -1.140247953e-01 -1.140247953e-01 4.42 -1.098764285e-01 -1.098764285e-01 4.44 -1.057036759e-01 -1.057036759e-01 4.46 -1.014891925e-01 -1.014891925e-01 4.48 -9.721618545e-02 -9.721618545e-02 4.50 -9.286741662e-02 -9.286741662e-02 4.52 -8.842113330e-02 -8.842113330e-02 4.54 -8.384079266e-02 -8.384079266e-02 4.56 -7.909061152e-02 -7.909061152e-02 4.58 -7.414767999e-02 -7.414767999e-02 4.60 -6.901591011e-02 -6.901591011e-02 4.62 -6.374511478e-02 -6.374511478e-02 4.64 -5.844944283e-02 -5.844944283e-02 4.66 -5.331168147e-02 -5.331168147e-02 4.68 -4.855675830e-02 -4.855675830e-02 4.70 -4.438888679e-02 -4.438888679e-02 4.72 -4.092047529e-02 -4.092047529e-02 4.74 -3.815173801e-02 -3.815173801e-02 4.76 -3.597484542e-02 -3.597484542e-02 4.78 -3.422743884e-02 -3.422743884e-02 4.80 -3.274867525e-02 -3.274867525e-02 4.82 -3.141355509e-02 -3.141355509e-02 4.84 -3.014403372e-02 -3.014403372e-02 4.86 -2.890602656e-02 -2.890602656e-02 4.88 -2.769538121e-02 -2.769538121e-02 4.90 -2.651403762e-02 -2.651403762e-02 4.92 -2.536330823e-02 -2.536330823e-02 4.94 -2.424388684e-02 -2.424388684e-02 4.96 -2.315591947e-02 -2.315591947e-02 4.98 -2.209905902e-02 -2.209905902e-02 5.00 -2.107250474e-02 -2.107250474e-02 5.02 -2.007502699e-02 -2.007502699e-02 5.04 -1.910497730e-02 -1.910497730e-02 5.06 -1.816028393e-02 -1.816028393e-02 5.08 -1.723843281e-02 -1.723843281e-02 5.10 -1.633643425e-02 -1.633643425e-02 5.12 -1.545077709e-02 -1.545077709e-02 5.14 -1.457737422e-02 -1.457737422e-02 5.16 -1.371150815e-02 -1.371150815e-02 5.18 -1.284779392e-02 -1.284779392e-02 5.20 -1.198019060e-02 -1.198019060e-02 5.22 -1.110211583e-02 -1.110211583e-02 5.24 -1.020675083e-02 -1.020675083e-02 5.26 -9.287665236e-03 -9.287665236e-03 5.28 -8.339928243e-03 -8.339928243e-03 5.30 -7.361866392e-03 -7.361866392e-03 5.32 -6.357502130e-03 -6.357502130e-03 5.34 -5.339352243e-03 -5.339352243e-03 5.36 -4.330630409e-03 -4.330630409e-03 5.38 -3.365200481e-03 -3.365200481e-03 5.40 -2.483555077e-03 -2.483555077e-03 5.42 -1.724508855e-03 -1.724508855e-03 5.44 -1.115077476e-03 -1.115077476e-03 5.46 -6.631463874e-04 -6.631463874e-04 5.48 -3.565947258e-04 -3.565947258e-04 5.50 -1.688030524e-04 -1.688030524e-04 5.52 -6.712915418e-05 -6.712915418e-05 5.54 -2.047169469e-05 -2.047169469e-05 5.56 -3.881073363e-06 -3.881073363e-06 5.58 -2.323567853e-07 -2.323567853e-07 5.60 -1.304049839e-12 -1.321857265e-12 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