# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = AuFePd2 # 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 2024-04-11 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 nan nan 1.12 nan nan 1.14 nan nan 1.16 nan nan 1.18 nan nan 1.20 nan nan 1.22 nan nan 1.24 nan nan 1.26 nan nan 1.28 3.078009326e+02 3.078009326e+02 1.30 2.844128736e+02 2.844128736e+02 1.32 2.627946548e+02 2.627946548e+02 1.34 2.428056011e+02 2.428056011e+02 1.36 2.243151854e+02 2.243151854e+02 1.38 2.072026171e+02 2.072026171e+02 1.40 1.913567602e+02 1.913567602e+02 1.42 1.766756619e+02 1.766756619e+02 1.44 1.630659802e+02 1.630659802e+02 1.46 1.504427279e+02 1.504427279e+02 1.48 1.387289180e+02 1.387289180e+02 1.50 1.278545768e+02 1.278545768e+02 1.52 1.177553959e+02 1.177553959e+02 1.54 1.083717112e+02 1.083717112e+02 1.56 9.964807789e+01 9.964807789e+01 1.58 9.153324452e+01 9.153324452e+01 1.60 8.398026013e+01 8.398026013e+01 1.62 7.694654034e+01 7.694654034e+01 1.64 7.039380707e+01 7.039380707e+01 1.66 6.428786241e+01 6.428786241e+01 1.68 5.860552054e+01 5.860552054e+01 1.70 5.333034725e+01 5.333034725e+01 1.72 4.846610991e+01 4.846610991e+01 1.74 4.399024138e+01 4.399024138e+01 1.76 3.987339269e+01 3.987339269e+01 1.78 3.608772771e+01 3.608772771e+01 1.80 3.260711012e+01 3.260711012e+01 1.82 2.940727008e+01 2.940727008e+01 1.84 2.646586678e+01 2.646586678e+01 1.86 2.376241663e+01 2.376241663e+01 1.88 2.127811175e+01 2.127811175e+01 1.90 1.899560573e+01 1.899560573e+01 1.92 1.689884770e+01 1.689884770e+01 1.94 1.497299491e+01 1.497299491e+01 1.96 1.320437459e+01 1.320437459e+01 1.98 1.158044508e+01 1.158044508e+01 2.00 1.008972615e+01 1.008972615e+01 2.02 8.721703733e+00 8.721703733e+00 2.04 7.466734017e+00 7.466734017e+00 2.06 6.315965811e+00 6.315965811e+00 2.08 5.261281963e+00 5.261281963e+00 2.10 4.295249757e+00 4.295249757e+00 2.12 3.411071276e+00 3.411071276e+00 2.14 2.602530417e+00 2.602530417e+00 2.16 1.863937703e+00 1.863937703e+00 2.18 1.190076353e+00 1.190076353e+00 2.20 5.761535135e-01 5.761535135e-01 2.22 1.775931138e-02 1.775931138e-02 2.24 -4.891662654e-01 -4.891662654e-01 2.26 -9.483610848e-01 -9.483610848e-01 2.28 -1.363266750e+00 -1.363266750e+00 2.30 -1.737055673e+00 -1.737055673e+00 2.32 -2.072660799e+00 -2.072660799e+00 2.34 -2.372807462e+00 -2.372807462e+00 2.36 -2.640045090e+00 -2.640045090e+00 2.38 -2.876775653e+00 -2.876775653e+00 2.40 -3.085276342e+00 -3.085276342e+00 2.42 -3.267715872e+00 -3.267715872e+00 2.44 -3.426165656e+00 -3.426165656e+00 2.46 -3.562607314e+00 -3.562607314e+00 2.48 -3.678936103e+00 -3.678936103e+00 2.50 -3.776958121e+00 -3.776958121e+00 2.52 -3.858380055e+00 -3.858380055e+00 2.54 -3.924793957e+00 -3.924793957e+00 2.56 -3.977663004e+00 -3.977663004e+00 2.58 -4.018315222e+00 -4.018315222e+00 2.60 -4.048159041e+00 -4.048159041e+00 2.62 -4.068923161e+00 -4.068923161e+00 2.64 -4.081159131e+00 -4.081159131e+00 2.66 -4.085241245e+00 -4.085241245e+00 2.68 -4.081542286e+00 -4.081542286e+00 2.70 -4.070430952e+00 -4.070430952e+00 2.72 -4.052266597e+00 -4.052266597e+00 2.74 -4.027396612e+00 -4.027396612e+00 2.76 -3.996186014e+00 -3.996186014e+00 2.78 -3.959090071e+00 -3.959090071e+00 2.80 -3.916564390e+00 -3.916564390e+00 2.82 -3.868994805e+00 -3.868994805e+00 2.84 -3.816725685e+00 -3.816725685e+00 2.86 -3.760141861e+00 -3.760141861e+00 2.88 -3.699671013e+00 -3.699671013e+00 2.90 -3.635777069e+00 -3.635777069e+00 2.92 -3.568947652e+00 -3.568947652e+00 2.94 -3.499676497e+00 -3.499676497e+00 2.96 -3.428443329e+00 -3.428443329e+00 2.98 -3.355694839e+00 -3.355694839e+00 3.00 -3.281830303e+00 -3.281830303e+00 3.02 -3.207194038e+00 -3.207194038e+00 3.04 -3.132074798e+00 -3.132074798e+00 3.06 -3.056710474e+00 -3.056710474e+00 3.08 -2.981295722e+00 -2.981295722e+00 3.10 -2.905990501e+00 -2.905990501e+00 3.12 -2.830928374e+00 -2.830928374e+00 3.14 -2.756224248e+00 -2.756224248e+00 3.16 -2.681981572e+00 -2.681981572e+00 3.18 -2.608298925e+00 -2.608298925e+00 3.20 -2.535275692e+00 -2.535275692e+00 3.22 -2.463016298e+00 -2.463016298e+00 3.24 -2.391632516e+00 -2.391632516e+00 3.26 -2.321243573e+00 -2.321243573e+00 3.28 -2.251974071e+00 -2.251974071e+00 3.30 -2.183950100e+00 -2.183950100e+00 3.32 -2.117294155e+00 -2.117294155e+00 3.34 -2.052119627e+00 -2.052119627e+00 3.36 -1.988525660e+00 -1.988525660e+00 3.38 -1.926593014e+00 -1.926593014e+00 3.40 -1.866381388e+00 -1.866381388e+00 3.42 -1.807928378e+00 -1.807928378e+00 3.44 -1.751249973e+00 -1.751249973e+00 3.46 -1.696342334e+00 -1.696342334e+00 3.48 -1.643184452e+00 -1.643184452e+00 3.50 -1.591741287e+00 -1.591741287e+00 3.52 -1.541966995e+00 -1.541966995e+00 3.54 -1.493807970e+00 -1.493807970e+00 3.56 -1.447205503e+00 -1.447205503e+00 3.58 -1.402097958e+00 -1.402097958e+00 3.60 -1.358422456e+00 -1.358422456e+00 3.62 -1.316116087e+00 -1.316116087e+00 3.64 -1.275116737e+00 -1.275116737e+00 3.66 -1.235363599e+00 -1.235363599e+00 3.68 -1.196797460e+00 -1.196797460e+00 3.70 -1.159360853e+00 -1.159360853e+00 3.72 -1.122998115e+00 -1.122998115e+00 3.74 -1.087655433e+00 -1.087655433e+00 3.76 -1.053280888e+00 -1.053280888e+00 3.78 -1.019824531e+00 -1.019824531e+00 3.80 -9.872384893e-01 -9.872384893e-01 3.82 -9.554771128e-01 -9.554771128e-01 3.84 -9.244971539e-01 -9.244971539e-01 3.86 -8.942579757e-01 -8.942579757e-01 3.88 -8.647217958e-01 -8.647217958e-01 3.90 -8.358539700e-01 -8.358539700e-01 3.92 -8.076233259e-01 -8.076233259e-01 3.94 -7.800025552e-01 -7.800025552e-01 3.96 -7.529686567e-01 -7.529686567e-01 3.98 -7.265034210e-01 -7.265034210e-01 4.00 -7.005939066e-01 -7.005939066e-01 4.02 -6.752328416e-01 -6.752328416e-01 4.04 -6.504188594e-01 -6.504188594e-01 4.06 -6.261564635e-01 -6.261564635e-01 4.08 -6.024556279e-01 -6.024556279e-01 4.10 -5.793309685e-01 -5.793309685e-01 4.12 -5.568004914e-01 -5.568004914e-01 4.14 -5.348839678e-01 -5.348839678e-01 4.16 -5.136011094e-01 -5.136011094e-01 4.18 -4.929697187e-01 -4.929697187e-01 4.20 -4.730040339e-01 -4.730040339e-01 4.22 -4.537134423e-01 -4.537134423e-01 4.24 -4.351016675e-01 -4.351016675e-01 4.26 -4.171664439e-01 -4.171664439e-01 4.28 -3.998996095e-01 -3.998996095e-01 4.30 -3.832874938e-01 -3.832874938e-01 4.32 -3.673114628e-01 -3.673114628e-01 4.34 -3.519485062e-01 -3.519485062e-01 4.36 -3.371717968e-01 -3.371717968e-01 4.38 -3.229512024e-01 -3.229512024e-01 4.40 -3.092537722e-01 -3.092537722e-01 4.42 -2.960442391e-01 -2.960442391e-01 4.44 -2.832855822e-01 -2.832855822e-01 4.46 -2.709396796e-01 -2.709396796e-01 4.48 -2.589680625e-01 -2.589680625e-01 4.50 -2.473327630e-01 -2.473327630e-01 4.52 -2.359972328e-01 -2.359972328e-01 4.54 -2.249273032e-01 -2.249273032e-01 4.56 -2.140921532e-01 -2.140921532e-01 4.58 -2.034652489e-01 -2.034652489e-01 4.60 -1.930252164e-01 -1.930252164e-01 4.62 -1.827566034e-01 -1.827566034e-01 4.64 -1.726504779e-01 -1.726504779e-01 4.66 -1.627048080e-01 -1.627048080e-01 4.68 -1.529245639e-01 -1.529245639e-01 4.70 -1.433214900e-01 -1.433214900e-01 4.72 -1.339135132e-01 -1.339135132e-01 4.74 -1.247237802e-01 -1.247237802e-01 4.76 -1.157793599e-01 -1.157793599e-01 4.78 -1.071096831e-01 -1.071096831e-01 4.80 -9.874483607e-02 -9.874483607e-02 4.82 -9.071384963e-02 -9.071384963e-02 4.84 -8.304312041e-02 -8.304312041e-02 4.86 -7.575510621e-02 -7.575510621e-02 4.88 -6.886737678e-02 -6.886737678e-02 4.90 -6.239207265e-02 -6.239207265e-02 4.92 -5.633575573e-02 -5.633575573e-02 4.94 -5.069960096e-02 -5.069960096e-02 4.96 -4.547983885e-02 -4.547983885e-02 4.98 -4.066836954e-02 -4.066836954e-02 5.00 -3.625344222e-02 -3.625344222e-02 5.02 -3.222033419e-02 -3.222033419e-02 5.04 -2.855161879e-02 -2.855161879e-02 5.06 -2.522828108e-02 -2.522828108e-02 5.08 -2.223068255e-02 -2.223068255e-02 5.10 -1.953801620e-02 -1.953801620e-02 5.12 -1.712891221e-02 -1.712891221e-02 5.14 -1.498193587e-02 -1.498193587e-02 5.16 -1.307574190e-02 -1.307574190e-02 5.18 -1.138937107e-02 -1.138937107e-02 5.20 -9.902505034e-03 -9.902505034e-03 5.22 -8.595679441e-03 -8.595679441e-03 5.24 -7.450454585e-03 -7.450454585e-03 5.26 -6.449543196e-03 -6.449543196e-03 5.28 -5.576896216e-03 -5.576896216e-03 5.30 -4.817749069e-03 -4.817749069e-03 5.32 -4.158632517e-03 -4.158632517e-03 5.34 -3.587353266e-03 -3.587353266e-03 5.36 -3.092950161e-03 -3.092950161e-03 5.38 -2.665631829e-03 -2.665631829e-03 5.40 -2.296701366e-03 -2.296701366e-03 5.42 -1.978472999e-03 -1.978472999e-03 5.44 -1.704184937e-03 -1.704184937e-03 5.46 -1.467911754e-03 -1.467911754e-03 5.48 -1.264478877e-03 -1.264478877e-03 5.50 -1.089381041e-03 -1.089381041e-03 5.52 -9.387059298e-04 -9.387059298e-04 5.54 -8.090637403e-04 -8.090637403e-04 5.56 -6.975230090e-04 -6.975230090e-04 5.58 -6.015527351e-04 -6.015527351e-04 5.60 -5.189706326e-04 -5.189706326e-04 5.62 -4.478971943e-04 -4.478971943e-04 5.64 -3.867151624e-04 -3.867151624e-04 5.66 -3.340339540e-04 -3.340339540e-04 5.68 -2.886585707e-04 -2.886585707e-04 5.70 -2.495625283e-04 -2.495625283e-04 5.72 -2.158643586e-04 -2.158643586e-04 5.74 -1.868072676e-04 -1.868072676e-04 5.76 -1.617415622e-04 -1.617415622e-04 5.78 -1.401094986e-04 -1.401094986e-04 5.80 -1.214322383e-04 -1.214322383e-04 5.82 -1.052986313e-04 -1.052986313e-04 5.84 -9.135558245e-05 -9.135558245e-05 5.86 -7.929978232e-05 -7.929978232e-05 5.88 -6.887061517e-05 -6.887061517e-05 5.90 -5.984407880e-05 -5.984407880e-05 5.92 -5.202757388e-05 -5.202757388e-05 5.94 -4.525543948e-05 -4.525543948e-05 5.96 -3.938512843e-05 -3.938512843e-05 5.98 -3.429393096e-05 -3.429393096e-05 6.00 -2.987616795e-05 -2.987616795e-05