# 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 = Co2FeNi # 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 2.543379881e+04 2.543379881e+04 1.12 2.044789903e+04 2.044789903e+04 1.14 1.649933361e+04 1.649933361e+04 1.16 1.335980691e+04 1.335980691e+04 1.18 1.085396309e+04 1.085396309e+04 1.20 8.846499812e+03 8.846499812e+03 1.22 7.232563886e+03 7.232563886e+03 1.24 5.930555248e+03 5.930555248e+03 1.26 4.876711477e+03 4.876711477e+03 1.28 4.021011708e+03 4.021011708e+03 1.30 3.324064127e+03 3.324064127e+03 1.32 2.754733766e+03 2.754733766e+03 1.34 2.288324090e+03 2.288324090e+03 1.36 1.905176872e+03 1.905176872e+03 1.38 1.589592325e+03 1.589592325e+03 1.40 1.328991680e+03 1.328991680e+03 1.42 1.113264478e+03 1.113264478e+03 1.44 9.342592077e+02 9.342592077e+02 1.46 7.853848922e+02 7.853848922e+02 1.48 6.612972413e+02 6.612972413e+02 1.50 5.576510987e+02 5.576510987e+02 1.52 4.709036705e+02 4.709036705e+02 1.54 3.981588186e+02 3.981588186e+02 1.56 3.370429100e+02 3.370429100e+02 1.58 2.856056347e+02 2.856056347e+02 1.60 2.422410321e+02 2.422410321e+02 1.62 2.056233838e+02 2.056233838e+02 1.64 1.746553172e+02 1.746553172e+02 1.66 1.484267644e+02 1.484267644e+02 1.68 1.261814715e+02 1.261814715e+02 1.70 1.072897235e+02 1.072897235e+02 1.72 9.122622605e+01 9.122622605e+01 1.74 7.755203125e+01 7.755203125e+01 1.76 6.589953438e+01 6.589953438e+01 1.78 5.596011649e+01 5.596011649e+01 1.80 4.747434611e+01 4.747434611e+01 1.82 4.022386316e+01 4.022386316e+01 1.84 3.402446731e+01 3.402446731e+01 1.86 2.872058480e+01 2.872058480e+01 1.88 2.418069775e+01 2.418069775e+01 1.90 2.029349973e+01 2.029349973e+01 1.92 1.696469598e+01 1.696469598e+01 1.94 1.411415186e+01 1.411415186e+01 1.96 1.167351482e+01 1.167351482e+01 1.98 9.584317565e+00 9.584317565e+00 2.00 7.796652382e+00 7.796652382e+00 2.02 6.267913227e+00 6.267913227e+00 2.04 4.961699136e+00 4.961699136e+00 2.06 3.846783448e+00 3.846783448e+00 2.08 2.896410352e+00 2.896410352e+00 2.10 2.087637564e+00 2.087637564e+00 2.12 1.400758994e+00 1.400758994e+00 2.14 8.188409786e-01 8.188409786e-01 2.16 3.273307002e-01 3.273307002e-01 2.18 -8.627498334e-02 -8.627498334e-02 2.20 -4.327098088e-01 -4.327098088e-01 2.22 -7.212154607e-01 -7.212154607e-01 2.24 -9.598798854e-01 -9.598798854e-01 2.26 -1.155713768e+00 -1.155713768e+00 2.28 -1.314764573e+00 -1.314764573e+00 2.30 -1.442249723e+00 -1.442249723e+00 2.32 -1.542664115e+00 -1.542664115e+00 2.34 -1.619872166e+00 -1.619872166e+00 2.36 -1.677240840e+00 -1.677240840e+00 2.38 -1.717753838e+00 -1.717753838e+00 2.40 -1.744002711e+00 -1.744002711e+00 2.42 -1.758229660e+00 -1.758229660e+00 2.44 -1.762370073e+00 -1.762370073e+00 2.46 -1.758088824e+00 -1.758088824e+00 2.48 -1.746811223e+00 -1.746811223e+00 2.50 -1.729749377e+00 -1.729749377e+00 2.52 -1.707924591e+00 -1.707924591e+00 2.54 -1.682186374e+00 -1.682186374e+00 2.56 -1.653228642e+00 -1.653228642e+00 2.58 -1.621635029e+00 -1.621635029e+00 2.60 -1.587936947e+00 -1.587936947e+00 2.62 -1.552569764e+00 -1.552569764e+00 2.64 -1.515891791e+00 -1.515891791e+00 2.66 -1.478254951e+00 -1.478254951e+00 2.68 -1.439980230e+00 -1.439980230e+00 2.70 -1.401340943e+00 -1.401340943e+00 2.72 -1.362554273e+00 -1.362554273e+00 2.74 -1.323790489e+00 -1.323790489e+00 2.76 -1.285192664e+00 -1.285192664e+00 2.78 -1.246880752e+00 -1.246880752e+00 2.80 -1.208954542e+00 -1.208954542e+00 2.82 -1.171496146e+00 -1.171496146e+00 2.84 -1.134572091e+00 -1.134572091e+00 2.86 -1.098235063e+00 -1.098235063e+00 2.88 -1.062529922e+00 -1.062529922e+00 2.90 -1.027505005e+00 -1.027505005e+00 2.92 -9.932041012e-01 -9.932041012e-01 2.94 -9.596651617e-01 -9.596651617e-01 2.96 -9.269210617e-01 -9.269210617e-01 2.98 -8.950002124e-01 -8.950002124e-01 3.00 -8.639270333e-01 -8.639270333e-01 3.02 -8.337223079e-01 -8.337223079e-01 3.04 -8.044034340e-01 -8.044034340e-01 3.06 -7.759845828e-01 -7.759845828e-01 3.08 -7.484767791e-01 -7.484767791e-01 3.10 -7.218879101e-01 -7.218879101e-01 3.12 -6.962226742e-01 -6.962226742e-01 3.14 -6.714824753e-01 -6.714824753e-01 3.16 -6.476652182e-01 -6.476652182e-01 3.18 -6.247617073e-01 -6.247617073e-01 3.20 -6.027539315e-01 -6.027539315e-01 3.22 -5.816205516e-01 -5.816205516e-01 3.24 -5.613371079e-01 -5.613371079e-01 3.26 -5.418756416e-01 -5.418756416e-01 3.28 -5.232042945e-01 -5.232042945e-01 3.30 -5.052868902e-01 -5.052868902e-01 3.32 -4.880854119e-01 -4.880854119e-01 3.34 -4.715691420e-01 -4.715691420e-01 3.36 -4.557070036e-01 -4.557070036e-01 3.38 -4.404645129e-01 -4.404645129e-01 3.40 -4.258034297e-01 -4.258034297e-01 3.42 -4.116814003e-01 -4.116814003e-01 3.44 -3.980515919e-01 -3.980515919e-01 3.46 -3.848645290e-01 -3.848645290e-01 3.48 -3.720927292e-01 -3.720927292e-01 3.50 -3.597252766e-01 -3.597252766e-01 3.52 -3.477522971e-01 -3.477522971e-01 3.54 -3.361646156e-01 -3.361646156e-01 3.56 -3.249536896e-01 -3.249536896e-01 3.58 -3.141115403e-01 -3.141115403e-01 3.60 -3.036306809e-01 -3.036306809e-01 3.62 -2.935040434e-01 -2.935040434e-01 3.64 -2.837249035e-01 -2.837249035e-01 3.66 -2.742868034e-01 -2.742868034e-01 3.68 -2.651834746e-01 -2.651834746e-01 3.70 -2.564087589e-01 -2.564087589e-01 3.72 -2.479565284e-01 -2.479565284e-01 3.74 -2.398206052e-01 -2.398206052e-01 3.76 -2.319946808e-01 -2.319946808e-01 3.78 -2.244722341e-01 -2.244722341e-01 3.80 -2.172464501e-01 -2.172464501e-01 3.82 -2.103101379e-01 -2.103101379e-01 3.84 -2.036556482e-01 -2.036556482e-01 3.86 -1.972747915e-01 -1.972747915e-01 3.88 -1.911587552e-01 -1.911587552e-01 3.90 -1.852980217e-01 -1.852980217e-01 3.92 -1.796822861e-01 -1.796822861e-01 3.94 -1.743003737e-01 -1.743003737e-01 3.96 -1.691401580e-01 -1.691401580e-01 3.98 -1.641884786e-01 -1.641884786e-01 4.00 -1.594310595e-01 -1.594310595e-01 4.02 -1.548524273e-01 -1.548524273e-01 4.04 -1.504358295e-01 -1.504358295e-01 4.06 -1.461649734e-01 -1.461649734e-01 4.08 -1.420319628e-01 -1.420319628e-01 4.10 -1.380319086e-01 -1.380319086e-01 4.12 -1.341601058e-01 -1.341601058e-01 4.14 -1.304120255e-01 -1.304120255e-01 4.16 -1.267833081e-01 -1.267833081e-01 4.18 -1.232697576e-01 -1.232697576e-01 4.20 -1.198673349e-01 -1.198673349e-01 4.22 -1.165721518e-01 -1.165721518e-01 4.24 -1.133804660e-01 -1.133804660e-01 4.26 -1.102886748e-01 -1.102886748e-01 4.28 -1.072933099e-01 -1.072933099e-01 4.30 -1.043910327e-01 -1.043910327e-01 4.32 -1.015786289e-01 -1.015786289e-01 4.34 -9.885300372e-02 -9.885300372e-02 4.36 -9.621117750e-02 -9.621117750e-02 4.38 -9.365028116e-02 -9.365028116e-02 4.40 -9.116755189e-02 -9.116755189e-02 4.42 -8.876032909e-02 -8.876032909e-02 4.44 -8.642605041e-02 -8.642605041e-02 4.46 -8.416224790e-02 -8.416224790e-02 4.48 -8.196625388e-02 -8.196625388e-02 4.50 -7.983437952e-02 -7.983437952e-02 4.52 -7.776288685e-02 -7.776288685e-02 4.54 -7.574828826e-02 -7.574828826e-02 4.56 -7.378733776e-02 -7.378733776e-02 4.58 -7.187702229e-02 -7.187702229e-02 4.60 -7.001455308e-02 -7.001455308e-02 4.62 -6.819735721e-02 -6.819735721e-02 4.64 -6.642306908e-02 -6.642306908e-02 4.66 -6.468952209e-02 -6.468952209e-02 4.68 -6.299474031e-02 -6.299474031e-02 4.70 -6.133693028e-02 -6.133693028e-02 4.72 -5.971447279e-02 -5.971447279e-02 4.74 -5.812591484e-02 -5.812591484e-02 4.76 -5.656996154e-02 -5.656996154e-02 4.78 -5.504546817e-02 -5.504546817e-02 4.80 -5.355143221e-02 -5.355143221e-02 4.82 -5.208698551e-02 -5.208698551e-02 4.84 -5.065138646e-02 -5.065138646e-02 4.86 -4.924401218e-02 -4.924401218e-02 4.88 -4.786435085e-02 -4.786435085e-02 4.90 -4.651199403e-02 -4.651199403e-02 4.92 -4.518662900e-02 -4.518662900e-02 4.94 -4.388803118e-02 -4.388803118e-02 4.96 -4.261605663e-02 -4.261605663e-02 4.98 -4.137063449e-02 -4.137063449e-02 5.00 -4.015175954e-02 -4.015175954e-02 5.02 -3.895948477e-02 -3.895948477e-02 5.04 -3.779391396e-02 -3.779391396e-02 5.06 -3.665519439e-02 -3.665519439e-02 5.08 -3.554350940e-02 -3.554350940e-02 5.10 -3.445907121e-02 -3.445907121e-02 5.12 -3.340211358e-02 -3.340211358e-02 5.14 -3.237288457e-02 -3.237288457e-02 5.16 -3.137160734e-02 -3.137160734e-02 5.18 -3.039778656e-02 -3.039778656e-02 5.20 -2.945028077e-02 -2.945028077e-02 5.22 -2.852803163e-02 -2.852803163e-02 5.24 -2.763008596e-02 -2.763008596e-02 5.26 -2.675558495e-02 -2.675558495e-02 5.28 -2.590375344e-02 -2.590375344e-02 5.30 -2.507388912e-02 -2.507388912e-02 5.32 -2.426535180e-02 -2.426535180e-02 5.34 -2.347755267e-02 -2.347755267e-02 5.36 -2.270994349e-02 -2.270994349e-02 5.38 -2.196200588e-02 -2.196200588e-02 5.40 -2.123324055e-02 -2.123324055e-02 5.42 -2.052315655e-02 -2.052315655e-02 5.44 -1.983126048e-02 -1.983126048e-02 5.46 -1.915704578e-02 -1.915704578e-02 5.48 -1.849998193e-02 -1.849998193e-02 5.50 -1.785950375e-02 -1.785950375e-02 5.52 -1.723500056e-02 -1.723500056e-02 5.54 -1.662580551e-02 -1.662580551e-02 5.56 -1.603118476e-02 -1.603118476e-02 5.58 -1.545032677e-02 -1.545032677e-02 5.60 -1.488233149e-02 -1.488233149e-02 5.62 -1.432619967e-02 -1.432619967e-02 5.64 -1.378082203e-02 -1.378082203e-02 5.66 -1.324496856e-02 -1.324496856e-02 5.68 -1.271727775e-02 -1.271727775e-02 5.70 -1.219624581e-02 -1.219624581e-02 5.72 -1.168021981e-02 -1.168021981e-02 5.74 -1.116810757e-02 -1.116810757e-02 5.76 -1.066030076e-02 -1.066030076e-02 5.78 -1.015741453e-02 -1.015741453e-02 5.80 -9.660087859e-03 -9.660087859e-03 5.82 -9.168979291e-03 -9.168979291e-03 5.84 -8.684762720e-03 -8.684762720e-03 5.86 -8.208123144e-03 -8.208123144e-03 5.88 -7.739752430e-03 -7.739752430e-03 5.90 -7.280345083e-03 -7.280345083e-03 5.92 -6.830594005e-03 -6.830594005e-03 5.94 -6.391186260e-03 -6.391186260e-03 5.96 -5.962798842e-03 -5.962798842e-03 5.98 -5.546094434e-03 -5.546094434e-03 6.00 -5.141717178e-03 -5.141717178e-03