# 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 = AuMo2Pt # 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 3.800066408e+02 3.800066408e+02 1.30 3.536627972e+02 3.536627972e+02 1.32 3.291178855e+02 3.291178855e+02 1.34 3.062349814e+02 3.062349814e+02 1.36 2.849036045e+02 2.849036045e+02 1.38 2.650296764e+02 2.650296764e+02 1.40 2.465254477e+02 2.465254477e+02 1.42 2.293027518e+02 2.293027518e+02 1.44 2.132707887e+02 2.132707887e+02 1.46 1.983380006e+02 1.983380006e+02 1.48 1.844160377e+02 1.844160377e+02 1.50 1.714231050e+02 1.714231050e+02 1.52 1.592851658e+02 1.592851658e+02 1.54 1.479353380e+02 1.479353380e+02 1.56 1.373126696e+02 1.373126696e+02 1.58 1.273610288e+02 1.273610288e+02 1.60 1.180281877e+02 1.180281877e+02 1.62 1.092651314e+02 1.092651314e+02 1.64 1.010258461e+02 1.010258461e+02 1.66 9.326779425e+01 9.326779425e+01 1.68 8.595295916e+01 8.595295916e+01 1.70 7.904901803e+01 7.904901803e+01 1.72 7.253006760e+01 7.253006760e+01 1.74 6.637644583e+01 6.637644583e+01 1.76 6.057362662e+01 6.057362662e+01 1.78 5.511061037e+01 5.511061037e+01 1.80 4.997825849e+01 4.997825849e+01 1.82 4.517037344e+01 4.517037344e+01 1.84 4.071586027e+01 4.071586027e+01 1.86 3.664954893e+01 3.664954893e+01 1.88 3.294342085e+01 3.294342085e+01 1.90 2.956740002e+01 2.956740002e+01 1.92 2.649190909e+01 2.649190909e+01 1.94 2.368859274e+01 2.368859274e+01 1.96 2.113088373e+01 2.113088373e+01 1.98 1.879441194e+01 1.879441194e+01 2.00 1.665723653e+01 1.665723653e+01 2.02 1.469988127e+01 1.469988127e+01 2.04 1.290518956e+01 1.290518956e+01 2.06 1.125805584e+01 1.125805584e+01 2.08 9.745108558e+00 9.745108558e+00 2.10 8.354411930e+00 8.354411930e+00 2.12 7.075230535e+00 7.075230535e+00 2.14 5.897873312e+00 5.897873312e+00 2.16 4.813608544e+00 4.813608544e+00 2.18 3.814621899e+00 3.814621899e+00 2.20 2.893982110e+00 2.893982110e+00 2.22 2.045587270e+00 2.045587270e+00 2.24 1.264082982e+00 1.264082982e+00 2.26 5.447598977e-01 5.447598977e-01 2.28 -1.165547724e-01 -1.165547724e-01 2.30 -7.235987366e-01 -7.235987366e-01 2.32 -1.279761358e+00 -1.279761358e+00 2.34 -1.788153189e+00 -1.788153189e+00 2.36 -2.251659622e+00 -2.251659622e+00 2.38 -2.672982058e+00 -2.672982058e+00 2.40 -3.054671071e+00 -3.054671071e+00 2.42 -3.399155959e+00 -3.399155959e+00 2.44 -3.708773568e+00 -3.708773568e+00 2.46 -3.985796467e+00 -3.985796467e+00 2.48 -4.232457196e+00 -4.232457196e+00 2.50 -4.450962462e+00 -4.450962462e+00 2.52 -4.643490361e+00 -4.643490361e+00 2.54 -4.812166213e+00 -4.812166213e+00 2.56 -4.959018878e+00 -4.959018878e+00 2.58 -5.085927442e+00 -5.085927442e+00 2.60 -5.194509167e+00 -5.194509167e+00 2.62 -5.287009789e+00 -5.287009789e+00 2.64 -5.365134952e+00 -5.365134952e+00 2.66 -5.429830791e+00 -5.429830791e+00 2.68 -5.481880521e+00 -5.481880521e+00 2.70 -5.521951599e+00 -5.521951599e+00 2.72 -5.550640577e+00 -5.550640577e+00 2.74 -5.568509421e+00 -5.568509421e+00 2.76 -5.576063234e+00 -5.576063234e+00 2.78 -5.573453961e+00 -5.573453961e+00 2.80 -5.560741083e+00 -5.560741083e+00 2.82 -5.538073267e+00 -5.538073267e+00 2.84 -5.505679899e+00 -5.505679899e+00 2.86 -5.463868299e+00 -5.463868299e+00 2.88 -5.413027253e+00 -5.413027253e+00 2.90 -5.353634488e+00 -5.353634488e+00 2.92 -5.286285142e+00 -5.286285142e+00 2.94 -5.211704820e+00 -5.211704820e+00 2.96 -5.130600751e+00 -5.130600751e+00 2.98 -5.043753192e+00 -5.043753192e+00 3.00 -4.951991616e+00 -4.951991616e+00 3.02 -4.856150417e+00 -4.856150417e+00 3.04 -4.757021853e+00 -4.757021853e+00 3.06 -4.655313865e+00 -4.655313865e+00 3.08 -4.551618979e+00 -4.551618979e+00 3.10 -4.446393301e+00 -4.446393301e+00 3.12 -4.339953561e+00 -4.339953561e+00 3.14 -4.232493863e+00 -4.232493863e+00 3.16 -4.124104941e+00 -4.124104941e+00 3.18 -4.014797829e+00 -4.014797829e+00 3.20 -3.904529479e+00 -3.904529479e+00 3.22 -3.793228221e+00 -3.793228221e+00 3.24 -3.680817852e+00 -3.680817852e+00 3.26 -3.567239702e+00 -3.567239702e+00 3.28 -3.452472403e+00 -3.452472403e+00 3.30 -3.336549078e+00 -3.336549078e+00 3.32 -3.219579632e+00 -3.219579632e+00 3.34 -3.101953375e+00 -3.101953375e+00 3.36 -2.984327904e+00 -2.984327904e+00 3.38 -2.867400852e+00 -2.867400852e+00 3.40 -2.751881984e+00 -2.751881984e+00 3.42 -2.638469939e+00 -2.638469939e+00 3.44 -2.527825648e+00 -2.527825648e+00 3.46 -2.420545724e+00 -2.420545724e+00 3.48 -2.317139058e+00 -2.317139058e+00 3.50 -2.218009360e+00 -2.218009360e+00 3.52 -2.123445349e+00 -2.123445349e+00 3.54 -2.033619153e+00 -2.033619153e+00 3.56 -1.948592256e+00 -1.948592256e+00 3.58 -1.868327478e+00 -1.868327478e+00 3.60 -1.792704960e+00 -1.792704960e+00 3.62 -1.721540040e+00 -1.721540040e+00 3.64 -1.654601187e+00 -1.654601187e+00 3.66 -1.591626546e+00 -1.591626546e+00 3.68 -1.532338242e+00 -1.532338242e+00 3.70 -1.476453982e+00 -1.476453982e+00 3.72 -1.423695921e+00 -1.423695921e+00 3.74 -1.373797004e+00 -1.373797004e+00 3.76 -1.326505111e+00 -1.326505111e+00 3.78 -1.281585447e+00 -1.281585447e+00 3.80 -1.238821553e+00 -1.238821553e+00 3.82 -1.198015332e+00 -1.198015332e+00 3.84 -1.158986401e+00 -1.158986401e+00 3.86 -1.121571028e+00 -1.121571028e+00 3.88 -1.085620865e+00 -1.085620865e+00 3.90 -1.051001631e+00 -1.051001631e+00 3.92 -1.017591877e+00 -1.017591877e+00 3.94 -9.852819152e-01 -9.852819152e-01 3.96 -9.539729640e-01 -9.539729640e-01 3.98 -9.235765797e-01 -9.235765797e-01 4.00 -8.940143639e-01 -8.940143639e-01 4.02 -8.652179539e-01 -8.652179539e-01 4.04 -8.371292555e-01 -8.371292555e-01 4.06 -8.097008450e-01 -8.097008450e-01 4.08 -7.828964302e-01 -7.828964302e-01 4.10 -7.566912157e-01 -7.566912157e-01 4.12 -7.310720252e-01 -7.310720252e-01 4.14 -7.060369211e-01 -7.060369211e-01 4.16 -6.815942681e-01 -6.815942681e-01 4.18 -6.577610660e-01 -6.577610660e-01 4.20 -6.345605897e-01 -6.345605897e-01 4.22 -6.120194558e-01 -6.120194558e-01 4.24 -5.901643581e-01 -5.901643581e-01 4.26 -5.690187915e-01 -5.690187915e-01 4.28 -5.486001104e-01 -5.486001104e-01 4.30 -5.289172200e-01 -5.289172200e-01 4.32 -5.099690994e-01 -5.099690994e-01 4.34 -4.917442242e-01 -4.917442242e-01 4.36 -4.742208278e-01 -4.742208278e-01 4.38 -4.573678394e-01 -4.573678394e-01 4.40 -4.411462986e-01 -4.411462986e-01 4.42 -4.255110135e-01 -4.255110135e-01 4.44 -4.104122655e-01 -4.104122655e-01 4.46 -3.957974357e-01 -3.957974357e-01 4.48 -3.816127605e-01 -3.816127605e-01 4.50 -3.678044395e-01 -3.678044395e-01 4.52 -3.543184813e-01 -3.543184813e-01 4.54 -3.411026215e-01 -3.411026215e-01 4.56 -3.281077206e-01 -3.281077206e-01 4.58 -3.152880156e-01 -3.152880156e-01 4.60 -3.026016372e-01 -3.026016372e-01 4.62 -2.900113723e-01 -2.900113723e-01 4.64 -2.774854761e-01 -2.774854761e-01 4.66 -2.649985409e-01 -2.649985409e-01 4.68 -2.525324025e-01 -2.525324025e-01 4.70 -2.400770372e-01 -2.400770372e-01 4.72 -2.276313750e-01 -2.276313750e-01 4.74 -2.152039339e-01 -2.152039339e-01 4.76 -2.028131679e-01 -2.028131679e-01 4.78 -1.904874190e-01 -1.904874190e-01 4.80 -1.782643842e-01 -1.782643842e-01 4.82 -1.661900469e-01 -1.661900469e-01 4.84 -1.543170586e-01 -1.543170586e-01 4.86 -1.427026497e-01 -1.427026497e-01 4.88 -1.314061785e-01 -1.314061785e-01 4.90 -1.204864988e-01 -1.204864988e-01 4.92 -1.099993459e-01 -1.099993459e-01 4.94 -9.999494627e-02 -9.999494627e-02 4.96 -9.051602257e-02 -9.051602257e-02 4.98 -8.159632065e-02 -8.159632065e-02 5.00 -7.325972030e-02 -7.325972030e-02 5.02 -6.551993068e-02 -6.551993068e-02 5.04 -5.838071903e-02 -5.838071903e-02 5.06 -5.183658427e-02 -5.183658427e-02 5.08 -4.587376373e-02 -4.587376373e-02 5.10 -4.047147820e-02 -4.047147820e-02 5.12 -3.560327662e-02 -3.560327662e-02 5.14 -3.123840758e-02 -3.123840758e-02 5.16 -2.734313261e-02 -2.734313261e-02 5.18 -2.388195151e-02 -2.388195151e-02 5.20 -2.081869004e-02 -2.081869004e-02 5.22 -1.811740450e-02 -1.811740450e-02 5.24 -1.574289771e-02 -1.574289771e-02 5.26 -1.366144554e-02 -1.366144554e-02 5.28 -1.184189488e-02 -1.184189488e-02 5.30 -1.025512780e-02 -1.025512780e-02 5.32 -8.874253389e-03 -8.874253389e-03 5.34 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