# 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 = CoFe2Ni # 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 2.658966685e+04 2.658966685e+04 1.12 2.137799431e+04 2.137799431e+04 1.14 1.725054776e+04 1.725054776e+04 1.16 1.396872095e+04 1.396872095e+04 1.18 1.134923724e+04 1.134923724e+04 1.20 9.250681682e+03 9.250681682e+03 1.22 7.563463219e+03 7.563463219e+03 1.24 6.202293912e+03 6.202293912e+03 1.26 5.100528996e+03 5.100528996e+03 1.28 4.205885912e+03 4.205885912e+03 1.30 3.477191319e+03 3.477191319e+03 1.32 2.881901758e+03 2.881901758e+03 1.34 2.394203135e+03 2.394203135e+03 1.36 1.993547387e+03 1.993547387e+03 1.38 1.663523831e+03 1.663523831e+03 1.40 1.390983910e+03 1.390983910e+03 1.42 1.165359008e+03 1.165359008e+03 1.44 9.781280811e+02 9.781280811e+02 1.46 8.224012214e+02 8.224012214e+02 1.48 6.925916240e+02 6.925916240e+02 1.50 5.841568410e+02 5.841568410e+02 1.52 4.933931257e+02 4.933931257e+02 1.54 4.172726840e+02 4.172726840e+02 1.56 3.533139106e+02 3.533139106e+02 1.58 2.994777196e+02 2.994777196e+02 1.60 2.540849898e+02 2.540849898e+02 1.62 2.157495607e+02 2.157495607e+02 1.64 1.833239968e+02 1.833239968e+02 1.66 1.558566779e+02 1.558566779e+02 1.68 1.325567882e+02 1.325567882e+02 1.70 1.127658046e+02 1.127658046e+02 1.72 9.593437318e+01 9.593437318e+01 1.74 8.160341420e+01 8.160341420e+01 1.76 6.938844133e+01 6.938844133e+01 1.78 5.896664755e+01 5.896664755e+01 1.80 5.006665813e+01 5.006665813e+01 1.82 4.246004363e+01 4.246004363e+01 1.84 3.595409660e+01 3.595409660e+01 1.86 3.038604531e+01 3.038604531e+01 1.88 2.561827347e+01 2.561827347e+01 1.90 2.153430053e+01 2.153430053e+01 1.92 1.803543597e+01 1.803543597e+01 1.94 1.503780117e+01 1.503780117e+01 1.96 1.246984605e+01 1.246984605e+01 1.98 1.027036644e+01 1.027036644e+01 2.00 8.387112832e+00 8.387112832e+00 2.02 6.775473923e+00 6.775473923e+00 2.04 5.397329726e+00 5.397329726e+00 2.06 4.219975627e+00 4.219975627e+00 2.08 3.215385041e+00 3.215385041e+00 2.10 2.359521871e+00 2.359521871e+00 2.12 1.631737040e+00 1.631737040e+00 2.14 1.014283194e+00 1.014283194e+00 2.16 4.919048867e-01 4.919048867e-01 2.18 5.149193186e-02 5.149193186e-02 2.20 -3.182140090e-01 -3.182140090e-01 2.22 -6.269089499e-01 -6.269089499e-01 2.24 -8.830778150e-01 -8.830778150e-01 2.26 -1.094076680e+00 -1.094076680e+00 2.28 -1.266252961e+00 -1.266252961e+00 2.30 -1.405084765e+00 -1.405084765e+00 2.32 -1.515293517e+00 -1.515293517e+00 2.34 -1.600940413e+00 -1.600940413e+00 2.36 -1.665564599e+00 -1.665564599e+00 2.38 -1.712301801e+00 -1.712301801e+00 2.40 -1.743876534e+00 -1.743876534e+00 2.42 -1.762647139e+00 -1.762647139e+00 2.44 -1.770650394e+00 -1.770650394e+00 2.46 -1.769639598e+00 -1.769639598e+00 2.48 -1.761117065e+00 -1.761117065e+00 2.50 -1.746361797e+00 -1.746361797e+00 2.52 -1.726453032e+00 -1.726453032e+00 2.54 -1.702290221e+00 -1.702290221e+00 2.56 -1.674610081e+00 -1.674610081e+00 2.58 -1.644033455e+00 -1.644033455e+00 2.60 -1.611125212e+00 -1.611125212e+00 2.62 -1.576349557e+00 -1.576349557e+00 2.64 -1.540089758e+00 -1.540089758e+00 2.66 -1.502720790e+00 -1.502720790e+00 2.68 -1.464584381e+00 -1.464584381e+00 2.70 -1.425972041e+00 -1.425972041e+00 2.72 -1.387116537e+00 -1.387116537e+00 2.74 -1.348201480e+00 -1.348201480e+00 2.76 -1.309381657e+00 -1.309381657e+00 2.78 -1.270787311e+00 -1.270787311e+00 2.80 -1.232527260e+00 -1.232527260e+00 2.82 -1.194691536e+00 -1.194691536e+00 2.84 -1.157353595e+00 -1.157353595e+00 2.86 -1.120572174e+00 -1.120572174e+00 2.88 -1.084397510e+00 -1.084397510e+00 2.90 -1.048882987e+00 -1.048882987e+00 2.92 -1.014076947e+00 -1.014076947e+00 2.94 -9.800214059e-01 -9.800214059e-01 2.96 -9.467528726e-01 -9.467528726e-01 2.98 -9.143030065e-01 -9.143030065e-01 3.00 -8.826991299e-01 -8.826991299e-01 3.02 -8.519646173e-01 -8.519646173e-01 3.04 -8.221191744e-01 -8.221191744e-01 3.06 -7.931790216e-01 -7.931790216e-01 3.08 -7.651569928e-01 -7.651569928e-01 3.10 -7.380625616e-01 -7.380625616e-01 3.12 -7.119018020e-01 -7.119018020e-01 3.14 -6.866772932e-01 -6.866772932e-01 3.16 -6.623879213e-01 -6.623879213e-01 3.18 -6.390251962e-01 -6.390251962e-01 3.20 -6.165715015e-01 -6.165715015e-01 3.22 -5.950057316e-01 -5.950057316e-01 3.24 -5.743035108e-01 -5.743035108e-01 3.26 -5.544368123e-01 -5.544368123e-01 3.28 -5.353735542e-01 -5.353735542e-01 3.30 -5.170771746e-01 -5.170771746e-01 3.32 -4.995091799e-01 -4.995091799e-01 3.34 -4.826385277e-01 -4.826385277e-01 3.36 -4.664337724e-01 -4.664337724e-01 3.38 -4.508599423e-01 -4.508599423e-01 3.40 -4.358781846e-01 -4.358781846e-01 3.42 -4.214454020e-01 -4.214454020e-01 3.44 -4.075138813e-01 -4.075138813e-01 3.46 -3.940331769e-01 -3.940331769e-01 3.48 -3.809753612e-01 -3.809753612e-01 3.50 -3.683294652e-01 -3.683294652e-01 3.52 -3.560855698e-01 -3.560855698e-01 3.54 -3.442344556e-01 -3.442344556e-01 3.56 -3.327675368e-01 -3.327675368e-01 3.58 -3.216767916e-01 -3.216767916e-01 3.60 -3.109546900e-01 -3.109546900e-01 3.62 -3.005941197e-01 -3.005941197e-01 3.64 -2.905883098e-01 -2.905883098e-01 3.66 -2.809307535e-01 -2.809307535e-01 3.68 -2.716151288e-01 -2.716151288e-01 3.70 -2.626352182e-01 -2.626352182e-01 3.72 -2.539848283e-01 -2.539848283e-01 3.74 -2.456577071e-01 -2.456577071e-01 3.76 -2.376474625e-01 -2.376474625e-01 3.78 -2.299474783e-01 -2.299474783e-01 3.80 -2.225508319e-01 -2.225508319e-01 3.82 -2.154502099e-01 -2.154502099e-01 3.84 -2.086378245e-01 -2.086378245e-01 3.86 -2.021053296e-01 -2.021053296e-01 3.88 -1.958437365e-01 -1.958437365e-01 3.90 -1.898433300e-01 -1.898433300e-01 3.92 -1.840935839e-01 -1.840935839e-01 3.94 -1.785830775e-01 -1.785830775e-01 3.96 -1.732994111e-01 -1.732994111e-01 3.98 -1.682291223e-01 -1.682291223e-01 4.00 -1.633576022e-01 -1.633576022e-01 4.02 -1.586690120e-01 -1.586690120e-01 4.04 -1.541461992e-01 -1.541461992e-01 4.06 -1.497724807e-01 -1.497724807e-01 4.08 -1.455397825e-01 -1.455397825e-01 4.10 -1.414431120e-01 -1.414431120e-01 4.12 -1.374776644e-01 -1.374776644e-01 4.14 -1.336388137e-01 -1.336388137e-01 4.16 -1.299221068e-01 -1.299221068e-01 4.18 -1.263232567e-01 -1.263232567e-01 4.20 -1.228381364e-01 -1.228381364e-01 4.22 -1.194627727e-01 -1.194627727e-01 4.24 -1.161933410e-01 -1.161933410e-01 4.26 -1.130261590e-01 -1.130261590e-01 4.28 -1.099576814e-01 -1.099576814e-01 4.30 -1.069844953e-01 -1.069844953e-01 4.32 -1.041033143e-01 -1.041033143e-01 4.34 -1.013109741e-01 -1.013109741e-01 4.36 -9.860442790e-02 -9.860442790e-02 4.38 -9.598074162e-02 -9.598074162e-02 4.40 -9.343708970e-02 -9.343708970e-02 4.42 -9.097075089e-02 -9.097075089e-02 4.44 -8.857910421e-02 -8.857910421e-02 4.46 -8.625962513e-02 -8.625962513e-02 4.48 -8.400958366e-02 -8.400958366e-02 4.50 -8.182520151e-02 -8.182520151e-02 4.52 -7.970264957e-02 -7.970264957e-02 4.54 -7.763835528e-02 -7.763835528e-02 4.56 -7.562899368e-02 -7.562899368e-02 4.58 -7.367147852e-02 -7.367147852e-02 4.60 -7.176295341e-02 -7.176295341e-02 4.62 -6.990078316e-02 -6.990078316e-02 4.64 -6.808254506e-02 -6.808254506e-02 4.66 -6.630602036e-02 -6.630602036e-02 4.68 -6.456918574e-02 -6.456918574e-02 4.70 -6.287020487e-02 -6.287020487e-02 4.72 -6.120742005e-02 -6.120742005e-02 4.74 -5.957934390e-02 -5.957934390e-02 4.76 -5.798465113e-02 -5.798465113e-02 4.78 -5.642217036e-02 -5.642217036e-02 4.80 -5.489087596e-02 -5.489087596e-02 4.82 -5.338988003e-02 -5.338988003e-02 4.84 -5.191842434e-02 -5.191842434e-02 4.86 -5.047587241e-02 -5.047587241e-02 4.88 -4.906170154e-02 -4.906170154e-02 4.90 -4.767549499e-02 -4.767549499e-02 4.92 -4.631693416e-02 -4.631693416e-02 4.94 -4.498579075e-02 -4.498579075e-02 4.96 -4.368191911e-02 -4.368191911e-02 4.98 -4.240524847e-02 -4.240524847e-02 5.00 -4.115577534e-02 -4.115577534e-02 5.02 -3.993355584e-02 -3.993355584e-02 5.04 -3.873869817e-02 -3.873869817e-02 5.06 -3.757135503e-02 -3.757135503e-02 5.08 -3.643171609e-02 -3.643171609e-02 5.10 -3.532000054e-02 -3.532000054e-02 5.12 -3.423644965e-02 -3.423644965e-02 5.14 -3.318131927e-02 -3.318131927e-02 5.16 -3.215483967e-02 -3.215483967e-02 5.18 -3.115650470e-02 -3.115650470e-02 5.20 -3.018514588e-02 -3.018514588e-02 5.22 -2.923967990e-02 -2.923967990e-02 5.24 -2.831913114e-02 -2.831913114e-02 5.26 -2.742262063e-02 -2.742262063e-02 5.28 -2.654935502e-02 -2.654935502e-02 5.30 -2.569861557e-02 -2.569861557e-02 5.32 -2.486974710e-02 -2.486974710e-02 5.34 -2.406214697e-02 -2.406214697e-02 5.36 -2.327525402e-02 -2.327525402e-02 5.38 -2.250853759e-02 -2.250853759e-02 5.40 -2.176148643e-02 -2.176148643e-02 5.42 -2.103359770e-02 -2.103359770e-02 5.44 -2.032436594e-02 -2.032436594e-02 5.46 -1.963327204e-02 -1.963327204e-02 5.48 -1.895977218e-02 -1.895977218e-02 5.50 -1.830328683e-02 -1.830328683e-02 5.52 -1.766318971e-02 -1.766318971e-02 5.54 -1.703879675e-02 -1.703879675e-02 5.56 -1.642935506e-02 -1.642935506e-02 5.58 -1.583403190e-02 -1.583403190e-02 5.60 -1.525190366e-02 -1.525190366e-02 5.62 -1.468194481e-02 -1.468194481e-02 5.64 -1.412301688e-02 -1.412301688e-02 5.66 -1.357385742e-02 -1.357385742e-02 5.68 -1.303306897e-02 -1.303306897e-02 5.70 -1.249910804e-02 -1.249910804e-02 5.72 -1.197027802e-02 -1.197027802e-02 5.74 -1.144545768e-02 -1.144545768e-02 5.76 -1.092504828e-02 -1.092504828e-02 5.78 -1.040968036e-02 -1.040968036e-02 5.80 -9.900008877e-03 -9.900008877e-03 5.82 -9.396708841e-03 -9.396708841e-03 5.84 -8.900470980e-03 -8.900470980e-03 5.86 -8.411997400e-03 -8.411997400e-03 5.88 -7.931997241e-03 -7.931997241e-03 5.90 -7.461182338e-03 -7.461182338e-03 5.92 -7.000262882e-03 -7.000262882e-03 5.94 -6.549943077e-03 -6.549943077e-03 5.96 -6.110916799e-03 -6.110916799e-03 5.98 -5.683863255e-03 -5.683863255e-03 6.00 -5.269442645e-03 -5.269442645e-03