# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2020--Groger-R-Vitek-V-Dlouhy-A--Co-Cr-Fe-Mn-Ni # implementation = 2020--Groger-R--Co-Cr-Fe-Mn-Ni--LAMMPS--ipr1 # composition = CoFe2Mn # 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 nan nan 1.02 nan nan 1.04 nan nan 1.06 nan nan 1.08 nan nan 1.10 3.122814994e+04 3.122814994e+04 1.12 2.511475236e+04 2.511475236e+04 1.14 2.027243482e+04 2.027243482e+04 1.16 1.642155444e+04 1.642155444e+04 1.18 1.334730314e+04 1.334730314e+04 1.20 1.088392744e+04 1.088392744e+04 1.22 8.902966989e+03 8.902966989e+03 1.24 7.304442418e+03 7.304442418e+03 1.26 6.010223222e+03 6.010223222e+03 1.28 4.959011503e+03 4.959011503e+03 1.30 4.102530314e+03 4.102530314e+03 1.32 3.402618005e+03 3.402618005e+03 1.34 2.829000984e+03 2.829000984e+03 1.36 2.357578983e+03 2.357578983e+03 1.38 1.969102171e+03 1.969102171e+03 1.40 1.648145251e+03 1.648145251e+03 1.42 1.382308009e+03 1.382308009e+03 1.44 1.161591312e+03 1.161591312e+03 1.46 9.779088256e+02 9.779088256e+02 1.48 8.247024496e+02 8.247024496e+02 1.50 6.966389483e+02 6.966389483e+02 1.52 5.893689549e+02 5.893689549e+02 1.54 4.993361429e+02 4.993361429e+02 1.56 4.236250854e+02 4.236250854e+02 1.58 3.598396978e+02 3.598396978e+02 1.60 3.060063397e+02 3.060063397e+02 1.62 2.604952828e+02 2.604952828e+02 1.64 2.219571836e+02 2.219571836e+02 1.66 1.892726576e+02 1.892726576e+02 1.68 1.615111777e+02 1.615111777e+02 1.70 1.378976143e+02 1.378976143e+02 1.72 1.177850794e+02 1.177850794e+02 1.74 1.006327395e+02 1.006327395e+02 1.76 8.598744107e+01 8.598744107e+01 1.78 7.346858605e+01 7.346858605e+01 1.80 6.275606616e+01 6.275606616e+01 1.82 5.358027633e+01 5.358027633e+01 1.84 4.571365488e+01 4.571365488e+01 1.86 3.896387199e+01 3.896387199e+01 1.88 3.316819899e+01 3.316819899e+01 1.90 2.818878217e+01 2.818878217e+01 1.92 2.390870867e+01 2.390870867e+01 1.94 2.022853821e+01 2.022853821e+01 1.96 1.706341012e+01 1.706341012e+01 1.98 1.434071726e+01 1.434071726e+01 2.00 1.199842485e+01 1.199842485e+01 2.02 9.983511227e+00 9.983511227e+00 2.04 8.250616679e+00 8.250616679e+00 2.06 6.760795872e+00 6.760795872e+00 2.08 5.480634352e+00 5.480634352e+00 2.10 4.381437682e+00 4.381437682e+00 2.12 3.438523571e+00 3.438523571e+00 2.14 2.630647801e+00 2.630647801e+00 2.16 1.939518891e+00 1.939518891e+00 2.18 1.349387116e+00 1.349387116e+00 2.20 8.466962048e-01 8.466962048e-01 2.22 4.197471442e-01 4.197471442e-01 2.24 5.830760370e-02 5.830760370e-02 2.26 -2.465052552e-01 -2.465052552e-01 2.28 -5.023746653e-01 -5.023746653e-01 2.30 -7.159488971e-01 -7.159488971e-01 2.32 -8.929757021e-01 -8.929757021e-01 2.34 -1.038417555e+00 -1.038417555e+00 2.36 -1.156605609e+00 -1.156605609e+00 2.38 -1.251371954e+00 -1.251371954e+00 2.40 -1.326054469e+00 -1.326054469e+00 2.42 -1.383552394e+00 -1.383552394e+00 2.44 -1.426380032e+00 -1.426380032e+00 2.46 -1.456712734e+00 -1.456712734e+00 2.48 -1.476426239e+00 -1.476426239e+00 2.50 -1.487130332e+00 -1.487130332e+00 2.52 -1.490197585e+00 -1.490197585e+00 2.54 -1.486787882e+00 -1.486787882e+00 2.56 -1.477869426e+00 -1.477869426e+00 2.58 -1.464268927e+00 -1.464268927e+00 2.60 -1.446734320e+00 -1.446734320e+00 2.62 -1.425892979e+00 -1.425892979e+00 2.64 -1.402273709e+00 -1.402273709e+00 2.66 -1.376381075e+00 -1.376381075e+00 2.68 -1.348672425e+00 -1.348672425e+00 2.70 -1.319542619e+00 -1.319542619e+00 2.72 -1.289316972e+00 -1.289316972e+00 2.74 -1.258262036e+00 -1.258262036e+00 2.76 -1.226606929e+00 -1.226606929e+00 2.78 -1.194548563e+00 -1.194548563e+00 2.80 -1.162255610e+00 -1.162255610e+00 2.82 -1.129871871e+00 -1.129871871e+00 2.84 -1.097519160e+00 -1.097519160e+00 2.86 -1.065299735e+00 -1.065299735e+00 2.88 -1.033303004e+00 -1.033303004e+00 2.90 -1.001617548e+00 -1.001617548e+00 2.92 -9.703234142e-01 -9.703234142e-01 2.94 -9.394912155e-01 -9.394912155e-01 2.96 -9.091832688e-01 -9.091832688e-01 2.98 -8.794545414e-01 -8.794545414e-01 3.00 -8.503534210e-01 -8.503534210e-01 3.02 -8.219223336e-01 -8.219223336e-01 3.04 -7.941982280e-01 -7.941982280e-01 3.06 -7.672129421e-01 -7.672129421e-01 3.08 -7.409934665e-01 -7.409934665e-01 3.10 -7.155621172e-01 -7.155621172e-01 3.12 -6.909366289e-01 -6.909366289e-01 3.14 -6.671301779e-01 -6.671301779e-01 3.16 -6.441512909e-01 -6.441512909e-01 3.18 -6.220002822e-01 -6.220002822e-01 3.20 -6.006676022e-01 -6.006676022e-01 3.22 -5.801395092e-01 -5.801395092e-01 3.24 -5.603983562e-01 -5.603983562e-01 3.26 -5.414222729e-01 -5.414222729e-01 3.28 -5.231848197e-01 -5.231848197e-01 3.30 -5.056546154e-01 -5.056546154e-01 3.32 -4.887979195e-01 -4.887979195e-01 3.34 -4.725880145e-01 -4.725880145e-01 3.36 -4.569974240e-01 -4.569974240e-01 3.38 -4.419948368e-01 -4.419948368e-01 3.40 -4.275447840e-01 -4.275447840e-01 3.42 -4.136073046e-01 -4.136073046e-01 3.44 -4.001376011e-01 -4.001376011e-01 3.46 -3.870879346e-01 -3.870879346e-01 3.48 -3.744327519e-01 -3.744327519e-01 3.50 -3.621631763e-01 -3.621631763e-01 3.52 -3.502712046e-01 -3.502712046e-01 3.54 -3.387493748e-01 -3.387493748e-01 3.56 -3.275907135e-01 -3.275907135e-01 3.58 -3.167886790e-01 -3.167886790e-01 3.60 -3.063371009e-01 -3.063371009e-01 3.62 -2.962301167e-01 -2.962301167e-01 3.64 -2.864621052e-01 -2.864621052e-01 3.66 -2.770276181e-01 -2.770276181e-01 3.68 -2.679213089e-01 -2.679213089e-01 3.70 -2.591378603e-01 -2.591378603e-01 3.72 -2.506719105e-01 -2.506719105e-01 3.74 -2.425179771e-01 -2.425179771e-01 3.76 -2.346703811e-01 -2.346703811e-01 3.78 -2.271231690e-01 -2.271231690e-01 3.80 -2.198700345e-01 -2.198700345e-01 3.82 -2.129042399e-01 -2.129042399e-01 3.84 -2.062185357e-01 -2.062185357e-01 3.86 -1.998050816e-01 -1.998050816e-01 3.88 -1.936553651e-01 -1.936553651e-01 3.90 -1.877601215e-01 -1.877601215e-01 3.92 -1.821092529e-01 -1.821092529e-01 3.94 -1.766917466e-01 -1.766917466e-01 3.96 -1.714955946e-01 -1.714955946e-01 3.98 -1.665077119e-01 -1.665077119e-01 4.00 -1.617138552e-01 -1.617138552e-01 4.02 -1.570985420e-01 -1.570985420e-01 4.04 -1.526449686e-01 -1.526449686e-01 4.06 -1.483367811e-01 -1.483367811e-01 4.08 -1.441661530e-01 -1.441661530e-01 4.10 -1.401283014e-01 -1.401283014e-01 4.12 -1.362186173e-01 -1.362186173e-01 4.14 -1.324326572e-01 -1.324326572e-01 4.16 -1.287661386e-01 -1.287661386e-01 4.18 -1.252149337e-01 -1.252149337e-01 4.20 -1.217750641e-01 -1.217750641e-01 4.22 -1.184426962e-01 -1.184426962e-01 4.24 -1.152141350e-01 -1.152141350e-01 4.26 -1.120858201e-01 -1.120858201e-01 4.28 -1.090543204e-01 -1.090543204e-01 4.30 -1.061163293e-01 -1.061163293e-01 4.32 -1.032686606e-01 -1.032686606e-01 4.34 -1.005082437e-01 -1.005082437e-01 4.36 -9.783211948e-02 -9.783211948e-02 4.38 -9.523743640e-02 -9.523743640e-02 4.40 -9.272144616e-02 -9.272144616e-02 4.42 -9.028150009e-02 -9.028150009e-02 4.44 -8.791504540e-02 -8.791504540e-02 4.46 -8.561962157e-02 -8.561962157e-02 4.48 -8.339255996e-02 -8.339255996e-02 4.50 -8.123014435e-02 -8.123014435e-02 4.52 -7.912860495e-02 -7.912860495e-02 4.54 -7.708442477e-02 -7.708442477e-02 4.56 -7.509433089e-02 -7.509433089e-02 4.58 -7.315528578e-02 -7.315528578e-02 4.60 -7.126447861e-02 -7.126447861e-02 4.62 -6.941931679e-02 -6.941931679e-02 4.64 -6.761741743e-02 -6.761741743e-02 4.66 -6.585659891e-02 -6.585659891e-02 4.68 -6.413487258e-02 -6.413487258e-02 4.70 -6.245043440e-02 -6.245043440e-02 4.72 -6.080165677e-02 -6.080165677e-02 4.74 -5.918708028e-02 -5.918708028e-02 4.76 -5.760540565e-02 -5.760540565e-02 4.78 -5.605548563e-02 -5.605548563e-02 4.80 -5.453631700e-02 -5.453631700e-02 4.82 -5.304703257e-02 -5.304703257e-02 4.84 -5.158689331e-02 -5.158689331e-02 4.86 -5.015528046e-02 -5.015528046e-02 4.88 -4.875168767e-02 -4.875168767e-02 4.90 -4.737571330e-02 -4.737571330e-02 4.92 -4.602705259e-02 -4.602705259e-02 4.94 -4.470549002e-02 -4.470549002e-02 4.96 -4.341089164e-02 -4.341089164e-02 4.98 -4.214319742e-02 -4.214319742e-02 5.00 -4.090241372e-02 -4.090241372e-02 5.02 -3.968860569e-02 -3.968860569e-02 5.04 -3.850188975e-02 -3.850188975e-02 5.06 -3.734242616e-02 -3.734242616e-02 5.08 -3.621041151e-02 -3.621041151e-02 5.10 -3.510607133e-02 -3.510607133e-02 5.12 -3.402965267e-02 -3.402965267e-02 5.14 -3.298141678e-02 -3.298141678e-02 5.16 -3.196159902e-02 -3.196159902e-02 5.18 -3.096970166e-02 -3.096970166e-02 5.20 -3.000456770e-02 -3.000456770e-02 5.22 -2.906512457e-02 -2.906512457e-02 5.24 -2.815040662e-02 -2.815040662e-02 5.26 -2.725954410e-02 -2.725954410e-02 5.28 -2.639175220e-02 -2.639175220e-02 5.30 -2.554632009e-02 -2.554632009e-02 5.32 -2.472259993e-02 -2.472259993e-02 5.34 -2.391999590e-02 -2.391999590e-02 5.36 -2.313795324e-02 -2.313795324e-02 5.38 -2.237594725e-02 -2.237594725e-02 5.40 -2.163347234e-02 -2.163347234e-02 5.42 -2.091003103e-02 -2.091003103e-02 5.44 -2.020512301e-02 -2.020512301e-02 5.46 -1.951823413e-02 -1.951823413e-02 5.48 -1.884882545e-02 -1.884882545e-02 5.50 -1.819632227e-02 -1.819632227e-02 5.52 -1.756010312e-02 -1.756010312e-02 5.54 -1.693948883e-02 -1.693948883e-02 5.56 -1.633373154e-02 -1.633373154e-02 5.58 -1.574200370e-02 -1.574200370e-02 5.60 -1.516338714e-02 -1.516338714e-02 5.62 -1.459686207e-02 -1.459686207e-02 5.64 -1.404129611e-02 -1.404129611e-02 5.66 -1.349543330e-02 -1.349543330e-02 5.68 -1.295788316e-02 -1.295788316e-02 5.70 -1.242710969e-02 -1.242710969e-02 5.72 -1.190142437e-02 -1.190142437e-02 5.74 -1.137971137e-02 -1.137971137e-02 5.76 -1.086237055e-02 -1.086237055e-02 5.78 -1.035002994e-02 -1.035002994e-02 5.80 -9.843341796e-03 -9.843341796e-03 5.82 -9.342978262e-03 -9.342978262e-03 5.84 -8.849627050e-03 -8.849627050e-03 5.86 -8.363987139e-03 -8.363987139e-03 5.88 -7.886764454e-03 -7.886764454e-03 5.90 -7.418667552e-03 -7.418667552e-03 5.92 -6.960403308e-03 -6.960403308e-03 5.94 -6.512672597e-03 -6.512672597e-03 5.96 -6.076165985e-03 -6.076165985e-03 5.98 -5.651559407e-03 -5.651559407e-03 6.00 -5.239509859e-03 -5.239509859e-03