# 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 = Co2FeMn # 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 2022-05-24 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 2.981704920e+04 2.981704920e+04 1.12 2.397902901e+04 2.397902901e+04 1.14 1.935491952e+04 1.935491952e+04 1.16 1.567764548e+04 1.567764548e+04 1.18 1.274205388e+04 1.274205388e+04 1.20 1.038984251e+04 1.038984251e+04 1.22 8.498326731e+03 8.498326731e+03 1.24 6.972023137e+03 6.972023137e+03 1.26 5.736315324e+03 5.736315324e+03 1.28 4.732662974e+03 4.732662974e+03 1.30 3.914961410e+03 3.914961410e+03 1.32 3.246766510e+03 3.246766510e+03 1.34 2.699167552e+03 2.699167552e+03 1.36 2.249149507e+03 2.249149507e+03 1.38 1.878329620e+03 1.878329620e+03 1.40 1.571977632e+03 1.571977632e+03 1.42 1.318252246e+03 1.318252246e+03 1.44 1.107605182e+03 1.107605182e+03 1.46 9.323148588e+02 9.323148588e+02 1.48 7.861191321e+02 7.861191321e+02 1.50 6.639255690e+02 6.639255690e+02 1.52 5.615812800e+02 5.615812800e+02 1.54 4.756906769e+02 4.756906769e+02 1.56 4.034701779e+02 4.034701779e+02 1.58 3.426321202e+02 3.426321202e+02 1.60 2.912922329e+02 2.912922329e+02 1.62 2.478946354e+02 2.478946354e+02 1.64 2.111511605e+02 2.111511605e+02 1.66 1.799932101e+02 1.799932101e+02 1.68 1.535325100e+02 1.535325100e+02 1.70 1.310291579e+02 1.310291579e+02 1.72 1.118656951e+02 1.118656951e+02 1.74 9.552592105e+01 9.552592105e+01 1.76 8.157734516e+01 8.157734516e+01 1.78 6.965674021e+01 6.965674021e+01 1.80 5.945862508e+01 5.945862508e+01 1.82 5.072573196e+01 5.072573196e+01 1.84 4.324092616e+01 4.324092616e+01 1.86 3.682070416e+01 3.682070416e+01 1.88 3.130981922e+01 3.130981922e+01 1.90 2.657676932e+01 2.657676932e+01 1.92 2.251004150e+01 2.251004150e+01 1.94 1.901479732e+01 1.901479732e+01 1.96 1.601010763e+01 1.601010763e+01 1.98 1.342673083e+01 1.342673083e+01 2.00 1.120551348e+01 1.120551348e+01 2.02 9.295902911e+00 9.295902911e+00 2.04 7.654657673e+00 7.654657673e+00 2.06 6.244654614e+00 6.244654614e+00 2.08 5.034047374e+00 5.034047374e+00 2.10 3.995492493e+00 3.995492493e+00 2.12 3.105473406e+00 3.105473406e+00 2.14 2.343752784e+00 2.343752784e+00 2.16 1.692909600e+00 1.692909600e+00 2.18 1.137947168e+00 1.137947168e+00 2.20 6.659610106e-01 6.659610106e-01 2.22 2.658173668e-01 2.658173668e-01 2.24 -7.222242082e-02 -7.222242082e-02 2.26 -3.566113263e-01 -3.566113263e-01 2.28 -5.946587046e-01 -5.946587046e-01 2.30 -7.926873766e-01 -7.926873766e-01 2.32 -9.561617502e-01 -9.561617502e-01 2.34 -1.089797630e+00 -1.089797630e+00 2.36 -1.197710123e+00 -1.197710123e+00 2.38 -1.283540687e+00 -1.283540687e+00 2.40 -1.350460222e+00 -1.350460222e+00 2.42 -1.401221827e+00 -1.401221827e+00 2.44 -1.438211927e+00 -1.438211927e+00 2.46 -1.463494036e+00 -1.463494036e+00 2.48 -1.478846185e+00 -1.478846185e+00 2.50 -1.485792926e+00 -1.485792926e+00 2.52 -1.485632651e+00 -1.485632651e+00 2.54 -1.479460887e+00 -1.479460887e+00 2.56 -1.468190245e+00 -1.468190245e+00 2.58 -1.452598822e+00 -1.452598822e+00 2.60 -1.433390854e+00 -1.433390854e+00 2.62 -1.411155718e+00 -1.411155718e+00 2.64 -1.386389077e+00 -1.386389077e+00 2.66 -1.359565192e+00 -1.359565192e+00 2.68 -1.331114208e+00 -1.331114208e+00 2.70 -1.301407018e+00 -1.301407018e+00 2.72 -1.270748159e+00 -1.270748159e+00 2.74 -1.239386168e+00 -1.239386168e+00 2.76 -1.207534262e+00 -1.207534262e+00 2.78 -1.175375309e+00 -1.175375309e+00 2.80 -1.143065570e+00 -1.143065570e+00 2.82 -1.110737901e+00 -1.110737901e+00 2.84 -1.078504455e+00 -1.078504455e+00 2.86 -1.046458986e+00 -1.046458986e+00 2.88 -1.014683316e+00 -1.014683316e+00 2.90 -9.832589882e-01 -9.832589882e-01 2.92 -9.522597049e-01 -9.522597049e-01 2.94 -9.217503938e-01 -9.217503938e-01 2.96 -8.917882781e-01 -8.917882781e-01 2.98 -8.624237585e-01 -8.624237585e-01 3.00 -8.337011286e-01 -8.337011286e-01 3.02 -8.056591471e-01 -8.056591471e-01 3.04 -7.783314810e-01 -7.783314810e-01 3.06 -7.517470385e-01 -7.517470385e-01 3.08 -7.259302034e-01 -7.259302034e-01 3.10 -7.009009835e-01 -7.009009835e-01 3.12 -6.766750835e-01 -6.766750835e-01 3.14 -6.532639108e-01 -6.532639108e-01 3.16 -6.306744725e-01 -6.306744725e-01 3.18 -6.089058888e-01 -6.089058888e-01 3.20 -5.879477707e-01 -5.879477707e-01 3.22 -5.677857391e-01 -5.677857391e-01 3.24 -5.484016948e-01 -5.484016948e-01 3.26 -5.297735000e-01 -5.297735000e-01 3.28 -5.118746324e-01 -5.118746324e-01 3.30 -4.946738162e-01 -4.946738162e-01 3.32 -4.781375267e-01 -4.781375267e-01 3.34 -4.622391161e-01 -4.622391161e-01 3.36 -4.469512329e-01 -4.469512329e-01 3.38 -4.322428230e-01 -4.322428230e-01 3.40 -4.180788105e-01 -4.180788105e-01 3.42 -4.044197674e-01 -4.044197674e-01 3.44 -3.912215732e-01 -3.912215732e-01 3.46 -3.784372640e-01 -3.784372640e-01 3.48 -3.660415753e-01 -3.660415753e-01 3.50 -3.540255577e-01 -3.540255577e-01 3.52 -3.423811377e-01 -3.423811377e-01 3.54 -3.311007910e-01 -3.311007910e-01 3.56 -3.201774893e-01 -3.201774893e-01 3.58 -3.096046430e-01 -3.096046430e-01 3.60 -2.993760414e-01 -2.993760414e-01 3.62 -2.894857888e-01 -2.894857888e-01 3.64 -2.799282389e-01 -2.799282389e-01 3.66 -2.706979263e-01 -2.706979263e-01 3.68 -2.617894969e-01 -2.617894969e-01 3.70 -2.531976356e-01 -2.531976356e-01 3.72 -2.449169936e-01 -2.449169936e-01 3.74 -2.369421138e-01 -2.369421138e-01 3.76 -2.292673556e-01 -2.292673556e-01 3.78 -2.218868184e-01 -2.218868184e-01 3.80 -2.147942648e-01 -2.147942648e-01 3.82 -2.079830429e-01 -2.079830429e-01 3.84 -2.014460083e-01 -2.014460083e-01 3.86 -1.951754456e-01 -1.951754456e-01 3.88 -1.891629895e-01 -1.891629895e-01 3.90 -1.833995458e-01 -1.833995458e-01 3.92 -1.778752120e-01 -1.778752120e-01 3.94 -1.725791982e-01 -1.725791982e-01 3.96 -1.674997474e-01 -1.674997474e-01 3.98 -1.626240561e-01 -1.626240561e-01 4.00 -1.579381947e-01 -1.579381947e-01 4.02 -1.534270280e-01 -1.534270280e-01 4.04 -1.490741358e-01 -1.490741358e-01 4.06 -1.448635385e-01 -1.448635385e-01 4.08 -1.407875731e-01 -1.407875731e-01 4.10 -1.368415463e-01 -1.368415463e-01 4.12 -1.330209361e-01 -1.330209361e-01 4.14 -1.293213838e-01 -1.293213838e-01 4.16 -1.257386894e-01 -1.257386894e-01 4.18 -1.222688052e-01 -1.222688052e-01 4.20 -1.189078311e-01 -1.189078311e-01 4.22 -1.156520088e-01 -1.156520088e-01 4.24 -1.124977171e-01 -1.124977171e-01 4.26 -1.094414668e-01 -1.094414668e-01 4.28 -1.064798960e-01 -1.064798960e-01 4.30 -1.036097653e-01 -1.036097653e-01 4.32 -1.008279536e-01 -1.008279536e-01 4.34 -9.813145325e-02 -9.813145325e-02 4.36 -9.551736644e-02 -9.551736644e-02 4.38 -9.298290071e-02 -9.298290071e-02 4.40 -9.052536517e-02 -9.052536517e-02 4.42 -8.814216669e-02 -8.814216669e-02 4.44 -8.583080627e-02 -8.583080627e-02 4.46 -8.358887546e-02 -8.358887546e-02 4.48 -8.141376397e-02 -8.141376397e-02 4.50 -7.930184270e-02 -7.930184270e-02 4.52 -7.724943103e-02 -7.724943103e-02 4.54 -7.525309497e-02 -7.525309497e-02 4.56 -7.330963862e-02 -7.330963862e-02 4.58 -7.141609567e-02 -7.141609567e-02 4.60 -6.956972096e-02 -6.956972096e-02 4.62 -6.776798217e-02 -6.776798217e-02 4.64 -6.600855150e-02 -6.600855150e-02 4.66 -6.428929747e-02 -6.428929747e-02 4.68 -6.260827678e-02 -6.260827678e-02 4.70 -6.096372617e-02 -6.096372617e-02 4.72 -5.935405443e-02 -5.935405443e-02 4.74 -5.777783441e-02 -5.777783441e-02 4.76 -5.623379507e-02 -5.623379507e-02 4.78 -5.472081367e-02 -5.472081367e-02 4.80 -5.323790787e-02 -5.323790787e-02 4.82 -5.178422805e-02 -5.178422805e-02 4.84 -5.035904954e-02 -5.035904954e-02 4.86 -4.896176493e-02 -4.896176493e-02 4.88 -4.759187651e-02 -4.759187651e-02 4.90 -4.624898863e-02 -4.624898863e-02 4.92 -4.493280015e-02 -4.493280015e-02 4.94 -4.364309700e-02 -4.364309700e-02 4.96 -4.237974465e-02 -4.237974465e-02 4.98 -4.114268071e-02 -4.114268071e-02 5.00 -3.993190756e-02 -3.993190756e-02 5.02 -3.874748494e-02 -3.874748494e-02 5.04 -3.758952269e-02 -3.758952269e-02 5.06 -3.645817340e-02 -3.645817340e-02 5.08 -3.535362520e-02 -3.535362520e-02 5.10 -3.427609450e-02 -3.427609450e-02 5.12 -3.322581879e-02 -3.322581879e-02 5.14 -3.220304947e-02 -3.220304947e-02 5.16 -3.120801277e-02 -3.120801277e-02 5.18 -3.024021899e-02 -3.024021899e-02 5.20 -2.929853456e-02 -2.929853456e-02 5.22 -2.838190857e-02 -2.838190857e-02 5.24 -2.748939467e-02 -2.748939467e-02 5.26 -2.662014040e-02 -2.662014040e-02 5.28 -2.577337647e-02 -2.577337647e-02 5.30 -2.494840608e-02 -2.494840608e-02 5.32 -2.414459423e-02 -2.414459423e-02 5.34 -2.336135699e-02 -2.336135699e-02 5.36 -2.259815086e-02 -2.259815086e-02 5.38 -2.185446202e-02 -2.185446202e-02 5.40 -2.112979565e-02 -2.112979565e-02 5.42 -2.042366526e-02 -2.042366526e-02 5.44 -1.973558197e-02 -1.973558197e-02 5.46 -1.906504379e-02 -1.906504379e-02 5.48 -1.841152499e-02 -1.841152499e-02 5.50 -1.777446534e-02 -1.777446534e-02 5.52 -1.715325943e-02 -1.715325943e-02 5.54 -1.654724602e-02 -1.654724602e-02 5.56 -1.595569726e-02 -1.595569726e-02 5.58 -1.537780808e-02 -1.537780808e-02 5.60 -1.481268543e-02 -1.481268543e-02 5.62 -1.425933762e-02 -1.425933762e-02 5.64 -1.371666360e-02 -1.371666360e-02 5.66 -1.318344229e-02 -1.318344229e-02 5.68 -1.265832185e-02 -1.265832185e-02 5.70 -1.213980903e-02 -1.213980903e-02 5.72 -1.162626225e-02 -1.162626225e-02 5.74 -1.111659750e-02 -1.111659750e-02 5.76 -1.061120593e-02 -1.061120593e-02 5.78 -1.011070088e-02 -1.011070088e-02 5.80 -9.615719361e-03 -9.615719361e-03 5.82 -9.126917811e-03 -9.126917811e-03 5.84 -8.644967897e-03 -8.644967897e-03 5.86 -8.170552296e-03 -8.170552296e-03 5.88 -7.704360476e-03 -7.704360476e-03 5.90 -7.247084485e-03 -7.247084485e-03 5.92 -6.799414735e-03 -6.799414735e-03 5.94 -6.362035785e-03 -6.362035785e-03 5.96 -5.935622128e-03 -5.935622128e-03 5.98 -5.520833973e-03 -5.520833973e-03 6.00 -5.118313033e-03 -5.118313033e-03