# 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 = Al2CuPd # 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 1.251303707e+02 1.251303707e+02 1.30 1.160107428e+02 1.160107428e+02 1.32 1.075463062e+02 1.075463062e+02 1.34 9.968839345e+01 9.968839345e+01 1.36 9.239009786e+01 9.239009786e+01 1.38 8.560622819e+01 8.560622819e+01 1.40 7.929425979e+01 7.929425979e+01 1.42 7.341543054e+01 7.341543054e+01 1.44 6.793525497e+01 6.793525497e+01 1.46 6.282334692e+01 6.282334692e+01 1.48 5.805288295e+01 5.805288295e+01 1.50 5.359992342e+01 5.359992342e+01 1.52 4.944264660e+01 4.944264660e+01 1.54 4.556061908e+01 4.556061908e+01 1.56 4.193429528e+01 4.193429528e+01 1.58 3.854886767e+01 3.854886767e+01 1.60 3.539972320e+01 3.539972320e+01 1.62 3.247023100e+01 3.247023100e+01 1.64 2.974734339e+01 2.974734339e+01 1.66 2.721740925e+01 2.721740925e+01 1.68 2.486738648e+01 2.486738648e+01 1.70 2.268539487e+01 2.268539487e+01 1.72 2.066038057e+01 2.066038057e+01 1.74 1.878183362e+01 1.878183362e+01 1.76 1.703958153e+01 1.703958153e+01 1.78 1.542372857e+01 1.542372857e+01 1.80 1.392476376e+01 1.392476376e+01 1.82 1.253375324e+01 1.253375324e+01 1.84 1.124249203e+01 1.124249203e+01 1.86 1.004355394e+01 1.004355394e+01 1.88 8.930255096e+00 8.930255096e+00 1.90 7.896566637e+00 7.896566637e+00 1.92 6.936999629e+00 6.936999629e+00 1.94 6.046486378e+00 6.046486378e+00 1.96 5.220289584e+00 5.220289584e+00 1.98 4.453960367e+00 4.453960367e+00 2.00 3.743342671e+00 3.743342671e+00 2.02 3.084602229e+00 3.084602229e+00 2.04 2.474248098e+00 2.474248098e+00 2.06 1.909118836e+00 1.909118836e+00 2.08 1.386328071e+00 1.386328071e+00 2.10 9.031908405e-01 9.031908405e-01 2.12 4.571604306e-01 4.571604306e-01 2.14 4.579333668e-02 4.579333668e-02 2.16 -3.332566851e-01 -3.332566851e-01 2.18 -6.822245215e-01 -6.822245215e-01 2.20 -1.003211156e+00 -1.003211156e+00 2.22 -1.298163322e+00 -1.298163322e+00 2.24 -1.568862601e+00 -1.568862601e+00 2.26 -1.816926428e+00 -1.816926428e+00 2.28 -2.043818896e+00 -2.043818896e+00 2.30 -2.250866411e+00 -2.250866411e+00 2.32 -2.439273039e+00 -2.439273039e+00 2.34 -2.610131784e+00 -2.610131784e+00 2.36 -2.764432254e+00 -2.764432254e+00 2.38 -2.903068435e+00 -2.903068435e+00 2.40 -3.026851769e+00 -3.026851769e+00 2.42 -3.136532435e+00 -3.136532435e+00 2.44 -3.232827604e+00 -3.232827604e+00 2.46 -3.316451942e+00 -3.316451942e+00 2.48 -3.388144125e+00 -3.388144125e+00 2.50 -3.448684519e+00 -3.448684519e+00 2.52 -3.498902873e+00 -3.498902873e+00 2.54 -3.539678730e+00 -3.539678730e+00 2.56 -3.571938028e+00 -3.571938028e+00 2.58 -3.596787202e+00 -3.596787202e+00 2.60 -3.615449381e+00 -3.615449381e+00 2.62 -3.628939099e+00 -3.628939099e+00 2.64 -3.638590418e+00 -3.638590418e+00 2.66 -3.645581701e+00 -3.645581701e+00 2.68 -3.649823564e+00 -3.649823564e+00 2.70 -3.651236423e+00 -3.651236423e+00 2.72 -3.649738888e+00 -3.649738888e+00 2.74 -3.645238056e+00 -3.645238056e+00 2.76 -3.637652372e+00 -3.637652372e+00 2.78 -3.626910390e+00 -3.626910390e+00 2.80 -3.612949729e+00 -3.612949729e+00 2.82 -3.595716753e+00 -3.595716753e+00 2.84 -3.575188991e+00 -3.575188991e+00 2.86 -3.551368309e+00 -3.551368309e+00 2.88 -3.524284548e+00 -3.524284548e+00 2.90 -3.494002164e+00 -3.494002164e+00 2.92 -3.460623630e+00 -3.460623630e+00 2.94 -3.424290406e+00 -3.424290406e+00 2.96 -3.385182645e+00 -3.385182645e+00 2.98 -3.343518867e+00 -3.343518867e+00 3.00 -3.299556027e+00 -3.299556027e+00 3.02 -3.253589017e+00 -3.253589017e+00 3.04 -3.205947366e+00 -3.205947366e+00 3.06 -3.156986742e+00 -3.156986742e+00 3.08 -3.107073934e+00 -3.107073934e+00 3.10 -3.056566746e+00 -3.056566746e+00 3.12 -3.005792147e+00 -3.005792147e+00 3.14 -2.955027417e+00 -2.955027417e+00 3.16 -2.904487864e+00 -2.904487864e+00 3.18 -2.854323094e+00 -2.854323094e+00 3.20 -2.804621007e+00 -2.804621007e+00 3.22 -2.755417327e+00 -2.755417327e+00 3.24 -2.706707902e+00 -2.706707902e+00 3.26 -2.658461359e+00 -2.658461359e+00 3.28 -2.610630532e+00 -2.610630532e+00 3.30 -2.563161881e+00 -2.563161881e+00 3.32 -2.516002737e+00 -2.516002737e+00 3.34 -2.469106526e+00 -2.469106526e+00 3.36 -2.422436256e+00 -2.422436256e+00 3.38 -2.375966568e+00 -2.375966568e+00 3.40 -2.329684581e+00 -2.329684581e+00 3.42 -2.283589783e+00 -2.283589783e+00 3.44 -2.237693085e+00 -2.237693085e+00 3.46 -2.192015291e+00 -2.192015291e+00 3.48 -2.146585120e+00 -2.146585120e+00 3.50 -2.101436975e+00 -2.101436975e+00 3.52 -2.056608636e+00 -2.056608636e+00 3.54 -2.012139044e+00 -2.012139044e+00 3.56 -1.968066309e+00 -1.968066309e+00 3.58 -1.924426031e+00 -1.924426031e+00 3.60 -1.881250024e+00 -1.881250024e+00 3.62 -1.838565439e+00 -1.838565439e+00 3.64 -1.796394331e+00 -1.796394331e+00 3.66 -1.754753614e+00 -1.754753614e+00 3.68 -1.713655389e+00 -1.713655389e+00 3.70 -1.673107577e+00 -1.673107577e+00 3.72 -1.633114772e+00 -1.633114772e+00 3.74 -1.593679204e+00 -1.593679204e+00 3.76 -1.554801686e+00 -1.554801686e+00 3.78 -1.516482407e+00 -1.516482407e+00 3.80 -1.478721412e+00 -1.478721412e+00 3.82 -1.441518699e+00 -1.441518699e+00 3.84 -1.404873878e+00 -1.404873878e+00 3.86 -1.368785446e+00 -1.368785446e+00 3.88 -1.333249828e+00 -1.333249828e+00 3.90 -1.298260368e+00 -1.298260368e+00 3.92 -1.263806498e+00 -1.263806498e+00 3.94 -1.229873298e+00 -1.229873298e+00 3.96 -1.196441460e+00 -1.196441460e+00 3.98 -1.163487816e+00 -1.163487816e+00 4.00 -1.130986241e+00 -1.130986241e+00 4.02 -1.098908857e+00 -1.098908857e+00 4.04 -1.067227385e+00 -1.067227385e+00 4.06 -1.035914506e+00 -1.035914506e+00 4.08 -1.004945138e+00 -1.004945138e+00 4.10 -9.742975624e-01 -9.742975624e-01 4.12 -9.439545055e-01 -9.439545055e-01 4.14 -9.139039329e-01 -9.139039329e-01 4.16 -8.841399864e-01 -8.841399864e-01 4.18 -8.546638125e-01 -8.546638125e-01 4.20 -8.254844046e-01 -8.254844046e-01 4.22 -7.966193764e-01 -7.966193764e-01 4.24 -7.680955363e-01 -7.680955363e-01 4.26 -7.399490781e-01 -7.399490781e-01 4.28 -7.122251897e-01 -7.122251897e-01 4.30 -6.849769180e-01 -6.849769180e-01 4.32 -6.582632225e-01 -6.582632225e-01 4.34 -6.321462800e-01 -6.321462800e-01 4.36 -6.066882334e-01 -6.066882334e-01 4.38 -5.819476864e-01 -5.819476864e-01 4.40 -5.579762893e-01 -5.579762893e-01 4.42 -5.348157468e-01 -5.348157468e-01 4.44 -5.124955075e-01 -5.124955075e-01 4.46 -4.910312903e-01 -4.910312903e-01 4.48 -4.704244990e-01 -4.704244990e-01 4.50 -4.506624847e-01 -4.506624847e-01 4.52 -4.317195500e-01 -4.317195500e-01 4.54 -4.135585525e-01 -4.135585525e-01 4.56 -3.961329461e-01 -3.961329461e-01 4.58 -3.793890942e-01 -3.793890942e-01 4.60 -3.632686992e-01 -3.632686992e-01 4.62 -3.477112046e-01 -3.477112046e-01 4.64 -3.326560501e-01 -3.326560501e-01 4.66 -3.180446852e-01 -3.180446852e-01 4.68 -3.038222772e-01 -3.038222772e-01 4.70 -2.899390796e-01 -2.899390796e-01 4.72 -2.763514568e-01 -2.763514568e-01 4.74 -2.630225883e-01 -2.630225883e-01 4.76 -2.499228965e-01 -2.499228965e-01 4.78 -2.370302536e-01 -2.370302536e-01 4.80 -2.243300344e-01 -2.243300344e-01 4.82 -2.118151160e-01 -2.118151160e-01 4.84 -1.994856974e-01 -1.994856974e-01 4.86 -1.873491912e-01 -1.873491912e-01 4.88 -1.754199647e-01 -1.754199647e-01 4.90 -1.637189911e-01 -1.637189911e-01 4.92 -1.522732829e-01 -1.522732829e-01 4.94 -1.411150524e-01 -1.411150524e-01 4.96 -1.302802507e-01 -1.302802507e-01 4.98 -1.198075415e-01 -1.198075415e-01 5.00 -1.097368917e-01 -1.097368917e-01 5.02 -1.001069767e-01 -1.001069767e-01 5.04 -9.095327310e-02 -9.095327310e-02 5.06 -8.230627502e-02 -8.230627502e-02 5.08 -7.418998915e-02 -7.418998915e-02 5.10 -6.662083883e-02 -6.662083883e-02 5.12 -5.960705602e-02 -5.960705602e-02 5.14 -5.314858152e-02 -5.314858152e-02 5.16 -4.723743764e-02 -4.723743764e-02 5.18 -4.185849320e-02 -4.185849320e-02 5.20 -3.699051384e-02 -3.699051384e-02 5.22 -3.260737977e-02 -3.260737977e-02 5.24 -2.867935571e-02 -2.867935571e-02 5.26 -2.517433644e-02 -2.517433644e-02 5.28 -2.205898139e-02 -2.205898139e-02 5.30 -1.929970157e-02 -1.929970157e-02 5.32 -1.686345965e-02 -1.686345965e-02 5.34 -1.471840069e-02 -1.471840069e-02 5.36 -1.283431329e-02 -1.283431329e-02 5.38 -1.118271511e-02 -1.118271511e-02 5.40 -9.737539121e-03 -9.737539121e-03 5.42 -8.475071336e-03 -8.475071336e-03 5.44 -7.373731102e-03 -7.373731102e-03 5.46 -6.414044697e-03 -6.414044697e-03 5.48 -5.578563492e-03 -5.578563492e-03 5.50 -4.851745819e-03 -4.851745819e-03 5.52 -4.219817392e-03 -4.219817392e-03 5.54 -3.670621399e-03 -3.670621399e-03 5.56 -3.193466318e-03 -3.193466318e-03 5.58 -2.778977089e-03 -2.778977089e-03 5.60 -2.418953360e-03 -2.418953360e-03 5.62 -2.106237098e-03 -2.106237098e-03 5.64 -1.834590806e-03 -1.834590806e-03 5.66 -1.598586791e-03 -1.598586791e-03 5.68 -1.393507451e-03 -1.393507451e-03 5.70 -1.215256156e-03 -1.215256156e-03 5.72 -1.060278091e-03 -1.060278091e-03 5.74 -9.254903168e-04 -9.254903168e-04 5.76 -8.082202281e-04 -8.082202281e-04 5.78 -7.061515934e-04 -7.061515934e-04 5.80 -6.172773815e-04 -6.172773815e-04 5.82 -5.398586171e-04 -5.398586171e-04 5.84 -4.723885693e-04 -4.723885693e-04 5.86 -4.135616304e-04 -4.135616304e-04 5.88 -3.622463077e-04 -3.622463077e-04 5.90 -3.174618105e-04 -3.174618105e-04 5.92 -2.783577702e-04 -2.783577702e-04 5.94 -2.441966865e-04 -2.441966865e-04 5.96 -2.143387412e-04 -2.143387412e-04 5.98 -1.882286650e-04 -1.882286650e-04 6.00 -1.653843828e-04 -1.653843828e-04