# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Kushnerov-O-I-Ryabtsev-S-I-Bashev-V-F--Co-Cr-Fe-Ni-Mn-Al # implementation = 2025--Kushnerov-O-I--Co-Cr-Fe-Ni-Mn-Al--LAMMPS--ipr1 # composition = Al2CrMn # 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 2025-07-01 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 2.323346116e+02 2.323346116e+02 1.10 2.150124089e+02 2.150124089e+02 1.12 1.986759499e+02 1.986759499e+02 1.14 1.835118442e+02 1.835118442e+02 1.16 1.697767571e+02 1.697767571e+02 1.18 1.570177166e+02 1.570177166e+02 1.20 1.457553520e+02 1.457553520e+02 1.22 1.348429163e+02 1.348429163e+02 1.24 1.246215164e+02 1.246215164e+02 1.26 1.154185808e+02 1.154185662e+02 1.28 1.068262132e+02 1.068262132e+02 1.30 9.890519650e+01 9.890519650e+01 1.32 9.137171877e+01 9.137171877e+01 1.34 8.477481082e+01 8.477481082e+01 1.36 7.827321376e+01 7.827321376e+01 1.38 7.228195872e+01 7.228195872e+01 1.40 6.669479793e+01 6.669479793e+01 1.42 6.151371240e+01 6.151371240e+01 1.44 5.704093687e+01 5.704093687e+01 1.46 5.282707942e+01 5.282707942e+01 1.48 4.862693108e+01 4.862693108e+01 1.50 4.472868745e+01 4.472868745e+01 1.52 4.124719288e+01 4.124719288e+01 1.54 3.810656184e+01 3.810656184e+01 1.56 3.495065184e+01 3.495065184e+01 1.58 3.206644516e+01 3.206644516e+01 1.60 2.934061865e+01 2.934061865e+01 1.62 2.680900900e+01 2.680900900e+01 1.64 2.445764685e+01 2.445764685e+01 1.66 2.240639696e+01 2.240639696e+01 1.68 2.048106662e+01 2.048106662e+01 1.70 1.857589084e+01 1.857589084e+01 1.72 1.680697120e+01 1.680697120e+01 1.74 1.529820719e+01 1.529820719e+01 1.76 1.376262818e+01 1.376262818e+01 1.78 1.233767918e+01 1.233767918e+01 1.80 1.101569939e+01 1.101569939e+01 1.82 9.966370960e+00 9.966370960e+00 1.84 8.815395158e+00 8.815395158e+00 1.86 7.980581148e+00 7.980581148e+00 1.88 6.973200748e+00 6.973200748e+00 1.90 6.040569404e+00 6.040569404e+00 1.92 5.177576804e+00 5.177576804e+00 1.94 4.447622797e+00 4.447622797e+00 1.96 3.704830713e+00 3.704830713e+00 1.98 3.018783048e+00 3.018783048e+00 2.00 2.385622204e+00 2.385622204e+00 2.02 1.801755756e+00 1.801755756e+00 2.04 1.263837005e+00 1.263837005e+00 2.06 7.687470858e-01 7.687470858e-01 2.08 3.135784967e-01 3.135784967e-01 2.10 -4.930697754e-04 -4.927197968e-04 2.12 -3.344210330e-01 -3.344210330e-01 2.14 -6.965928958e-01 -6.965928958e-01 2.16 -1.027830308e+00 -1.027830308e+00 2.18 -1.330247980e+00 -1.330247980e+00 2.20 -1.605820307e+00 -1.605820307e+00 2.22 -1.856391053e+00 -1.856391053e+00 2.24 -1.947324716e+00 -1.947324716e+00 2.26 -2.161923784e+00 -2.161923784e+00 2.28 -2.355765318e+00 -2.355765318e+00 2.30 -2.530292216e+00 -2.530292216e+00 2.32 -2.686853031e+00 -2.686853031e+00 2.34 -2.826708266e+00 -2.826708266e+00 2.36 -2.951036221e+00 -2.951036221e+00 2.38 -3.060938431e+00 -3.060938431e+00 2.40 -3.157444724e+00 -3.157444724e+00 2.42 -3.241517926e+00 -3.241517926e+00 2.44 -3.171843752e+00 -3.171843752e+00 2.46 -3.242261316e+00 -3.242261316e+00 2.48 -3.302259823e+00 -3.302259823e+00 2.50 -3.352605583e+00 -3.352605583e+00 2.52 -3.276417270e+00 -3.276417270e+00 2.54 -3.316823473e+00 -3.316823473e+00 2.56 -3.349144749e+00 -3.349144749e+00 2.58 -3.373993993e+00 -3.373993993e+00 2.60 -3.391944344e+00 -3.391944344e+00 2.62 -3.403531699e+00 -3.403531699e+00 2.64 -3.409257053e+00 -3.409257053e+00 2.66 -3.409588697e+00 -3.409588697e+00 2.68 -3.404964274e+00 -3.404964274e+00 2.70 -3.395792698e+00 -3.395792698e+00 2.72 -3.382455960e+00 -3.382455960e+00 2.74 -3.330894893e+00 -3.330894893e+00 2.76 -3.312136117e+00 -3.312136117e+00 2.78 -3.290112477e+00 -3.290112477e+00 2.80 -3.265119455e+00 -3.265119455e+00 2.82 -3.237432762e+00 -3.237432762e+00 2.84 -3.207309569e+00 -3.207309569e+00 2.86 -3.174989660e+00 -3.174989660e+00 2.88 -3.140696520e+00 -3.140696520e+00 2.90 -3.104638349e+00 -3.104638349e+00 2.92 -3.067009014e+00 -3.067009014e+00 2.94 -3.027988948e+00 -3.027988948e+00 2.96 -2.987745984e+00 -2.987745984e+00 2.98 -2.946436148e+00 -2.946436148e+00 3.00 -2.904204396e+00 -2.904204396e+00 3.02 -2.861185308e+00 -2.861185308e+00 3.04 -2.817503741e+00 -2.817503741e+00 3.06 -2.773275441e+00 -2.773275441e+00 3.08 -2.728607614e+00 -2.728607614e+00 3.10 -2.683599471e+00 -2.683599471e+00 3.12 -2.638342730e+00 -2.638342730e+00 3.14 -2.592922094e+00 -2.592922094e+00 3.16 -2.501135140e+00 -2.501135140e+00 3.18 -2.457790026e+00 -2.457790026e+00 3.20 -2.414395433e+00 -2.414395433e+00 3.22 -2.371016928e+00 -2.371016928e+00 3.24 -2.327714828e+00 -2.327714828e+00 3.26 -2.284544534e+00 -2.284544534e+00 3.28 -2.241556846e+00 -2.241556846e+00 3.30 -2.077749708e+00 -2.077749708e+00 3.32 -2.040992396e+00 -2.040992396e+00 3.34 -2.004275999e+00 -2.004275999e+00 3.36 -1.967648197e+00 -1.967648197e+00 3.38 -1.931152820e+00 -1.931152820e+00 3.40 -1.894830089e+00 -1.894830089e+00 3.42 -1.858716844e+00 -1.858716844e+00 3.44 -1.822846756e+00 -1.822846756e+00 3.46 -1.787250529e+00 -1.787250529e+00 3.48 -1.751956092e+00 -1.751956092e+00 3.50 -1.716988774e+00 -1.716988774e+00 3.52 -1.682371474e+00 -1.682371474e+00 3.54 -1.648124821e+00 -1.648124821e+00 3.56 -1.614267320e+00 -1.614267320e+00 3.58 -1.580815493e+00 -1.580815493e+00 3.60 -1.547784013e+00 -1.547784013e+00 3.62 -1.515185825e+00 -1.515185825e+00 3.64 -1.483032268e+00 -1.483032268e+00 3.66 -1.451333178e+00 -1.451333178e+00 3.68 -1.420096999e+00 -1.420096999e+00 3.70 -1.389330874e+00 -1.389330874e+00 3.72 -1.359040739e+00 -1.359040739e+00 3.74 -1.329231411e+00 -1.329231411e+00 3.76 -1.299906664e+00 -1.299906664e+00 3.78 -1.271069311e+00 -1.271069311e+00 3.80 -1.242721268e+00 -1.242721268e+00 3.82 -1.214863629e+00 -1.214863629e+00 3.84 -1.187496722e+00 -1.187496722e+00 3.86 -1.089735980e+00 -1.089735980e+00 3.88 -1.066081790e+00 -1.066081790e+00 3.90 -1.042810248e+00 -1.042810248e+00 3.92 -1.019923179e+00 -1.019923179e+00 3.94 -9.974217572e-01 -9.974217572e-01 3.96 -9.753065550e-01 -9.753065550e-01 3.98 -9.535775887e-01 -9.535775887e-01 4.00 -9.322343602e-01 -9.322343602e-01 4.02 -9.112758965e-01 -9.112758965e-01 4.04 -8.907007875e-01 -8.907007875e-01 4.06 -8.705072211e-01 -8.705072211e-01 4.08 -8.506930159e-01 -8.506930159e-01 4.10 -8.312556523e-01 -8.312556523e-01 4.12 -8.121923020e-01 -8.121923020e-01 4.14 -7.934998544e-01 -7.934998544e-01 4.16 -7.751749429e-01 -7.751749429e-01 4.18 -7.572139685e-01 -7.572139685e-01 4.20 -7.396131224e-01 -7.396131224e-01 4.22 -7.223684067e-01 -7.223684067e-01 4.24 -7.054756545e-01 -7.054756545e-01 4.26 -6.889305482e-01 -6.889305482e-01 4.28 -6.727286363e-01 -6.727286363e-01 4.30 -6.568653499e-01 -6.568653499e-01 4.32 -6.413360178e-01 -6.413360178e-01 4.34 -6.261358798e-01 -6.261358798e-01 4.36 -6.112601005e-01 -6.112601005e-01 4.38 -5.967037812e-01 -5.967037812e-01 4.40 -5.824619711e-01 -5.824619711e-01 4.42 -5.685296778e-01 -5.685296778e-01 4.44 -5.549018774e-01 -5.549018774e-01 4.46 -5.415735233e-01 -5.415735233e-01 4.48 -5.285395547e-01 -5.285395547e-01 4.50 -5.157949043e-01 -5.157949043e-01 4.52 -5.033345058e-01 -5.033345058e-01 4.54 -4.911533002e-01 -4.911533002e-01 4.56 -4.792462424e-01 -4.792462424e-01 4.58 -4.676083061e-01 -4.676083061e-01 4.60 -4.562344901e-01 -4.562344901e-01 4.62 -4.451198220e-01 -4.451198220e-01 4.64 -4.342593634e-01 -4.342593634e-01 4.66 -4.236482132e-01 -4.236482132e-01 4.68 -4.132815121e-01 -4.132815121e-01 4.70 -4.031544449e-01 -4.031544449e-01 4.72 -3.932622444e-01 -3.932622444e-01 4.74 -3.836001935e-01 -3.836001935e-01 4.76 -3.741636281e-01 -3.741636281e-01 4.78 -3.649479389e-01 -3.649479389e-01 4.80 -3.559485736e-01 -3.559485736e-01 4.82 -3.471610384e-01 -3.471610384e-01 4.84 -3.385808998e-01 -3.385808998e-01 4.86 -3.302037856e-01 -3.302037856e-01 4.88 -3.220253864e-01 -3.220253864e-01 4.90 -3.140414562e-01 -3.140414562e-01 4.92 -3.062478134e-01 -3.062478134e-01 4.94 -2.986403416e-01 -2.986403416e-01 4.96 -2.912149897e-01 -2.912149897e-01 4.98 -2.839677728e-01 -2.839677728e-01 5.00 -2.768947720e-01 -2.768947720e-01 5.02 -2.699921352e-01 -2.699921352e-01 5.04 -2.632560763e-01 -2.632560763e-01 5.06 -2.566828761e-01 -2.566828761e-01 5.08 -2.502688814e-01 -2.502688814e-01 5.10 -2.440105055e-01 -2.440105055e-01 5.12 -2.379042274e-01 -2.379042274e-01 5.14 -2.319465917e-01 -2.319465917e-01 5.16 -2.261342081e-01 -2.261342081e-01 5.18 -2.204637513e-01 -2.204637513e-01 5.20 -2.149319599e-01 -2.149319599e-01 5.22 -2.095356364e-01 -2.095356364e-01 5.24 -2.042716464e-01 -2.042716464e-01 5.26 -1.991369178e-01 -1.991369178e-01 5.28 -1.941284404e-01 -1.941284404e-01 5.30 -1.892432651e-01 -1.892432651e-01 5.32 -1.844785032e-01 -1.844785032e-01 5.34 -1.798313255e-01 -1.798313255e-01 5.36 -1.752989619e-01 -1.752989619e-01 5.38 -1.708787001e-01 -1.708787001e-01 5.40 -1.665678851e-01 -1.665678851e-01 5.42 -1.623639186e-01 -1.623639186e-01 5.44 -1.582642575e-01 -1.582642575e-01 5.46 -1.189095480e-01 -1.189095480e-01 5.48 -1.159801129e-01 -1.159801129e-01 5.50 -1.131212082e-01 -1.131212082e-01 5.52 -1.103312190e-01 -1.103312190e-01 5.54 -1.076085633e-01 -1.076085633e-01 5.56 -1.049516913e-01 -1.049516913e-01 5.58 -1.023590849e-01 -1.023590849e-01 5.60 -9.982925722e-02 -9.982925722e-02 5.62 -9.736075249e-02 -9.736075249e-02 5.64 -9.495214522e-02 -9.495214522e-02 5.66 -9.260203996e-02 -9.260203996e-02 5.68 -9.030907075e-02 -9.030907075e-02 5.70 -8.807190071e-02 -8.807190071e-02 5.72 -8.588922154e-02 -8.588922154e-02 5.74 -8.375975304e-02 -8.375975304e-02 5.76 -8.168224271e-02 -8.168224271e-02 5.78 -7.965546519e-02 -7.965546519e-02 5.80 -7.767822186e-02 -7.767822186e-02 5.82 -7.574934035e-02 -7.574934035e-02 5.84 -7.386767408e-02 -7.386767408e-02 5.86 -7.203210177e-02 -7.203210177e-02 5.88 -7.024152704e-02 -7.024152704e-02 5.90 -6.849487789e-02 -6.849487789e-02 5.92 -6.679110625e-02 -6.679110625e-02 5.94 -6.512918760e-02 -6.512918760e-02 5.96 -6.350812041e-02 -6.350812041e-02 5.98 -6.192692581e-02 -6.192692581e-02 6.00 -6.038464706e-02 -6.038464706e-02