# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2024--Mendelev-M-I--Ni-Co-Cr # implementation = 2024--Mendelev-M-I--Ni-Co-Cr--LAMMPS--ipr1 # composition = CoCrNi2 # 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 3.500529527e+05 3.500529527e+05 1.06 2.957133814e+05 2.957133814e+05 1.08 2.453296694e+05 2.453296694e+05 1.10 1.985478355e+05 1.985478355e+05 1.12 1.577381752e+05 1.577381752e+05 1.14 1.257123544e+05 1.257123544e+05 1.16 1.005236006e+05 1.005236006e+05 1.18 8.063790104e+04 8.063790104e+04 1.20 6.488110818e+04 6.488110818e+04 1.22 5.235104624e+04 5.235104624e+04 1.24 4.235166211e+04 4.235166211e+04 1.26 3.434387084e+04 3.434387084e+04 1.28 2.790874792e+04 2.790874792e+04 1.30 2.271955237e+04 2.271955237e+04 1.32 1.852050500e+04 1.852050500e+04 1.34 1.511078620e+04 1.511078620e+04 1.36 1.233227292e+04 1.233227292e+04 1.38 1.006007347e+04 1.006007347e+04 1.40 8.195212295e+03 8.195212295e+03 1.42 6.662812850e+03 6.662812850e+03 1.44 5.421577905e+03 5.421577905e+03 1.46 4.418474340e+03 4.418474340e+03 1.48 3.606132746e+03 3.606132746e+03 1.50 2.946964840e+03 2.946964840e+03 1.52 2.411072725e+03 2.411072725e+03 1.54 1.974622927e+03 1.974622927e+03 1.56 1.618574807e+03 1.618574807e+03 1.58 1.327670514e+03 1.327670514e+03 1.60 1.089667578e+03 1.089667578e+03 1.62 8.947206874e+02 8.947206874e+02 1.64 7.348776556e+02 7.348776556e+02 1.66 6.036920886e+02 6.036920886e+02 1.68 4.959275969e+02 4.959275969e+02 1.70 4.073330687e+02 4.073330687e+02 1.72 3.344533548e+02 3.344533548e+02 1.74 2.744769310e+02 2.744769310e+02 1.76 2.251103586e+02 2.251103586e+02 1.78 1.844741614e+02 1.844741614e+02 1.80 1.510238103e+02 1.510238103e+02 1.82 1.234609285e+02 1.234609285e+02 1.84 1.007211102e+02 1.007211102e+02 1.86 8.195837792e+01 8.195837792e+01 1.88 6.647982439e+01 6.647982439e+01 1.90 5.371498406e+01 5.371498406e+01 1.92 4.319199488e+01 4.319199488e+01 1.94 3.452108729e+01 3.452108729e+01 1.96 2.737789191e+01 2.737789191e+01 1.98 2.149340069e+01 2.149340069e+01 2.00 1.664562343e+01 1.664562343e+01 2.02 1.265087028e+01 1.265087028e+01 2.04 9.357331081e+00 9.357331081e+00 2.06 6.641220382e+00 6.641220382e+00 2.08 4.402302103e+00 4.402302103e+00 2.10 2.559678717e+00 2.559678717e+00 2.12 1.047755932e+00 1.047755932e+00 2.14 -1.873414227e-01 -1.873414227e-01 2.16 -1.190440288e+00 -1.190440288e+00 2.18 -1.999194697e+00 -1.999194697e+00 2.20 -2.645649600e+00 -2.645649600e+00 2.22 -3.157403531e+00 -3.157403531e+00 2.24 -3.558386401e+00 -3.558386401e+00 2.26 -3.869315605e+00 -3.869315605e+00 2.28 -4.107947292e+00 -4.107947292e+00 2.30 -4.289556593e+00 -4.289556593e+00 2.32 -4.426407728e+00 -4.426407728e+00 2.34 -4.524433253e+00 -4.524433253e+00 2.36 -4.586592994e+00 -4.586592994e+00 2.38 -4.620335655e+00 -4.620335655e+00 2.40 -4.634984393e+00 -4.634984393e+00 2.42 -4.637231032e+00 -4.637231032e+00 2.44 -4.631140864e+00 -4.631140864e+00 2.46 -4.619147696e+00 -4.619147696e+00 2.48 -4.602706749e+00 -4.602706749e+00 2.50 -4.582691565e+00 -4.582691565e+00 2.52 -4.558998661e+00 -4.558998661e+00 2.54 -4.531024105e+00 -4.531024105e+00 2.56 -4.499172038e+00 -4.499172038e+00 2.58 -4.464590281e+00 -4.464590281e+00 2.60 -4.428633480e+00 -4.428633480e+00 2.62 -4.392545524e+00 -4.392545524e+00 2.64 -4.357238834e+00 -4.357238834e+00 2.66 -4.323149199e+00 -4.323149199e+00 2.68 -4.290204261e+00 -4.290204261e+00 2.70 -4.257871017e+00 -4.257871017e+00 2.72 -4.225255286e+00 -4.225255286e+00 2.74 -4.191239633e+00 -4.191239633e+00 2.76 -4.154648957e+00 -4.154648957e+00 2.78 -4.114451375e+00 -4.114451375e+00 2.80 -4.069995596e+00 -4.069995596e+00 2.82 -4.021182078e+00 -4.021182078e+00 2.84 -3.968339559e+00 -3.968339559e+00 2.86 -3.912005060e+00 -3.912005060e+00 2.88 -3.852892676e+00 -3.852892676e+00 2.90 -3.791859601e+00 -3.791859601e+00 2.92 -3.729847685e+00 -3.729847685e+00 2.94 -3.667788121e+00 -3.667788121e+00 2.96 -3.606365735e+00 -3.606365735e+00 2.98 -3.545954296e+00 -3.545954296e+00 3.00 -3.486695501e+00 -3.486695501e+00 3.02 -3.428474242e+00 -3.428474242e+00 3.04 -3.370906320e+00 -3.370906320e+00 3.06 -3.313483557e+00 -3.313483557e+00 3.08 -3.255796274e+00 -3.255796274e+00 3.10 -3.197530028e+00 -3.197530028e+00 3.12 -3.138493088e+00 -3.138493088e+00 3.14 -3.078744825e+00 -3.078744825e+00 3.16 -3.018739351e+00 -3.018739351e+00 3.18 -2.959076701e+00 -2.959076701e+00 3.20 -2.900217362e+00 -2.900217362e+00 3.22 -2.842460353e+00 -2.842460353e+00 3.24 -2.785974781e+00 -2.785974781e+00 3.26 -2.730828445e+00 -2.730828445e+00 3.28 -2.677012890e+00 -2.677012890e+00 3.30 -2.624465042e+00 -2.624465042e+00 3.32 -2.573085818e+00 -2.573085818e+00 3.34 -2.522762667e+00 -2.522762667e+00 3.36 -2.473393132e+00 -2.473393132e+00 3.38 -2.424890788e+00 -2.424890788e+00 3.40 -2.377186230e+00 -2.377186230e+00 3.42 -2.330226784e+00 -2.330226784e+00 3.44 -2.283975031e+00 -2.283975031e+00 3.46 -2.238406278e+00 -2.238406278e+00 3.48 -2.193505163e+00 -2.193505163e+00 3.50 -2.149261662e+00 -2.149261662e+00 3.52 -2.105666789e+00 -2.105666789e+00 3.54 -2.062708391e+00 -2.062708391e+00 3.56 -2.020367445e+00 -2.020367445e+00 3.58 -1.978615378e+00 -1.978615378e+00 3.60 -1.937412938e+00 -1.937412938e+00 3.62 -1.896711262e+00 -1.896711262e+00 3.64 -1.856455787e+00 -1.856455787e+00 3.66 -1.816593757e+00 -1.816593757e+00 3.68 -1.777086110e+00 -1.777086110e+00 3.70 -1.737919333e+00 -1.737919333e+00 3.72 -1.699095612e+00 -1.699095612e+00 3.74 -1.660623403e+00 -1.660623403e+00 3.76 -1.622517114e+00 -1.622517114e+00 3.78 -1.584797083e+00 -1.584797083e+00 3.80 -1.547489444e+00 -1.547489444e+00 3.82 -1.510625849e+00 -1.510625849e+00 3.84 -1.474243050e+00 -1.474243050e+00 3.86 -1.438382291e+00 -1.438382291e+00 3.88 -1.403088495e+00 -1.403088495e+00 3.90 -1.368409230e+00 -1.368409230e+00 3.92 -1.334393407e+00 -1.334393407e+00 3.94 -1.301089699e+00 -1.301089699e+00 3.96 -1.268544635e+00 -1.268544635e+00 3.98 -1.236800350e+00 -1.236800350e+00 4.00 -1.205891947e+00 -1.205891947e+00 4.02 -1.175844439e+00 -1.175844439e+00 4.04 -1.146669233e+00 -1.146669233e+00 4.06 -1.118360133e+00 -1.118360133e+00 4.08 -1.090888782e+00 -1.090888782e+00 4.10 -1.064199558e+00 -1.064199558e+00 4.12 -1.038203824e+00 -1.038203824e+00 4.14 -1.012773533e+00 -1.012773533e+00 4.16 -9.877341248e-01 -9.877341248e-01 4.18 -9.628679961e-01 -9.628679961e-01 4.20 -9.379857217e-01 -9.379857217e-01 4.22 -9.129699652e-01 -9.129699652e-01 4.24 -8.877643932e-01 -8.877643932e-01 4.26 -8.623610384e-01 -8.623610384e-01 4.28 -8.367893316e-01 -8.367893316e-01 4.30 -8.111066747e-01 -8.111066747e-01 4.32 -7.853903893e-01 -7.853903893e-01 4.34 -7.597309847e-01 -7.597309847e-01 4.36 -7.342265218e-01 -7.342265218e-01 4.38 -7.089780432e-01 -7.089780432e-01 4.40 -6.840858947e-01 -6.840858947e-01 4.42 -6.596468778e-01 -6.596468778e-01 4.44 -6.357521179e-01 -6.357521179e-01 4.46 -6.124853349e-01 -6.124853349e-01 4.48 -5.899219531e-01 -5.899219531e-01 4.50 -5.681282885e-01 -5.681282885e-01 4.52 -5.471610348e-01 -5.471610348e-01 4.54 -5.270674850e-01 -5.270674850e-01 4.56 -5.078847396e-01 -5.078847396e-01 4.58 -4.896407660e-01 -4.896407660e-01 4.60 -4.723529889e-01 -4.723529889e-01 4.62 -4.560294150e-01 -4.560294150e-01 4.64 -4.406676507e-01 -4.406676507e-01 4.66 -4.262538754e-01 -4.262538754e-01 4.68 -4.127639249e-01 -4.127639249e-01 4.70 -4.001587290e-01 -4.001587290e-01 4.72 -3.883852872e-01 -3.883852872e-01 4.74 -3.773768911e-01 -3.773768911e-01 4.76 -3.670412855e-01 -3.670412855e-01 4.78 -3.572669006e-01 -3.572669006e-01 4.80 -3.479185826e-01 -3.479185826e-01 4.82 -3.388399187e-01 -3.388399187e-01 4.84 -3.298251614e-01 -3.298251614e-01 4.86 -3.207783764e-01 -3.207783764e-01 4.88 -3.116973158e-01 -3.116973158e-01 4.90 -3.025825045e-01 -3.025825045e-01 4.92 -2.934626787e-01 -2.934626787e-01 4.94 -2.844134493e-01 -2.844134493e-01 4.96 -2.753762702e-01 -2.753762702e-01 4.98 -2.662001174e-01 -2.662001174e-01 5.00 -2.569997276e-01 -2.569997276e-01 5.02 -2.478856768e-01 -2.478856768e-01 5.04 -2.388926132e-01 -2.388926132e-01 5.06 -2.301997355e-01 -2.301997355e-01 5.08 -2.217244569e-01 -2.217244569e-01 5.10 -2.132411790e-01 -2.132411790e-01 5.12 -2.046662123e-01 -2.046662123e-01 5.14 -1.960076403e-01 -1.960076403e-01 5.16 -1.870868291e-01 -1.870868291e-01 5.18 -1.778043907e-01 -1.778043907e-01 5.20 -1.681175727e-01 -1.681175727e-01 5.22 -1.581129143e-01 -1.581129143e-01 5.24 -1.479987505e-01 -1.479987505e-01 5.26 -1.379264100e-01 -1.379264100e-01 5.28 -1.280491744e-01 -1.280491744e-01 5.30 -1.185395295e-01 -1.185395295e-01 5.32 -1.095015710e-01 -1.095015710e-01 5.34 -1.009868374e-01 -1.009868374e-01 5.36 -9.300942937e-02 -9.300942937e-02 5.38 -8.555788457e-02 -8.555788457e-02 5.40 -7.860439863e-02 -7.860439863e-02 5.42 -7.211188736e-02 -7.211188736e-02 5.44 -6.603929707e-02 -6.603929707e-02 5.46 -6.034549943e-02 -6.034549943e-02 5.48 -5.499204617e-02 -5.499204617e-02 5.50 -4.994500912e-02 -4.994500912e-02 5.52 -4.517608899e-02 -4.517608899e-02 5.54 -4.066314212e-02 -4.066314212e-02 5.56 -3.639024672e-02 -3.639024672e-02 5.58 -3.234740754e-02 -3.234740754e-02 5.60 -2.852998026e-02 -2.852998026e-02 5.62 -2.493788289e-02 -2.493788289e-02 5.64 -2.157465116e-02 -2.157465116e-02 5.66 -1.844638680e-02 -1.844638680e-02 5.68 -1.556064219e-02 -1.556064219e-02 5.70 -1.292528135e-02 -1.292528135e-02 5.72 -1.054735463e-02 -1.054735463e-02 5.74 -8.432024321e-03 -8.432024321e-03 5.76 -6.581577564e-03 -6.581577564e-03 5.78 -4.994564682e-03 -4.994564682e-03 5.80 -3.665101869e-03 -3.665101869e-03 5.82 -2.582379464e-03 -2.582379464e-03 5.84 -1.730419169e-03 -1.730419169e-03 5.86 -1.088126143e-03 -1.088126143e-03 5.88 -6.296846086e-04 -6.296846086e-04 5.90 -3.253484280e-04 -3.253484280e-04 5.92 -1.426810406e-04 -1.426810406e-04 5.94 -4.830208768e-05 -4.830208768e-05 5.96 -1.020104543e-05 -1.020104543e-05 5.98 -6.811644536e-07 -6.811644536e-07 6.00 -2.948029041e-13 -2.698677332e-13