# 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 = Ag2AuPb # 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 3.408656928e+02 3.408656928e+02 1.30 3.169315423e+02 3.169315423e+02 1.32 2.947295984e+02 2.947295984e+02 1.34 2.741220819e+02 2.741220819e+02 1.36 2.549829268e+02 2.549829268e+02 1.38 2.371966059e+02 2.371966059e+02 1.40 2.206574190e+02 2.206574190e+02 1.42 2.052691595e+02 2.052691595e+02 1.44 1.909447713e+02 1.909447713e+02 1.46 1.776056647e+02 1.776056647e+02 1.48 1.651805886e+02 1.651805886e+02 1.50 1.536042337e+02 1.536042337e+02 1.52 1.428159437e+02 1.428159437e+02 1.54 1.327589315e+02 1.327589315e+02 1.56 1.233799939e+02 1.233799939e+02 1.58 1.146295209e+02 1.146295209e+02 1.60 1.064615557e+02 1.064615557e+02 1.62 9.883382446e+01 9.883382446e+01 1.64 9.170765589e+01 9.170765589e+01 1.66 8.504779565e+01 8.504779565e+01 1.68 7.882486646e+01 7.882486646e+01 1.70 7.302084932e+01 7.302084932e+01 1.72 6.761551496e+01 6.761551496e+01 1.74 6.258346138e+01 6.258346138e+01 1.76 5.789838525e+01 5.789838525e+01 1.78 5.353574581e+01 5.353574581e+01 1.80 4.947270739e+01 4.947270739e+01 1.82 4.568809416e+01 4.568809416e+01 1.84 4.216235708e+01 4.216235708e+01 1.86 3.887752490e+01 3.887752490e+01 1.88 3.581711982e+01 3.581711982e+01 1.90 3.296602514e+01 3.296602514e+01 1.92 3.031032323e+01 3.031032323e+01 1.94 2.783714754e+01 2.783714754e+01 1.96 2.553454450e+01 2.553454450e+01 1.98 2.339136198e+01 2.339136198e+01 2.00 2.139715166e+01 2.139715166e+01 2.02 1.954208488e+01 1.954208488e+01 2.04 1.781688596e+01 1.781688596e+01 2.06 1.621279428e+01 1.621279428e+01 2.08 1.472155754e+01 1.472155754e+01 2.10 1.333543796e+01 1.333543796e+01 2.12 1.204722070e+01 1.204722070e+01 2.14 1.085020361e+01 1.085020361e+01 2.16 9.738173315e+00 9.738173315e+00 2.18 8.705372904e+00 8.705372904e+00 2.20 7.746467046e+00 7.746467046e+00 2.22 6.856512637e+00 6.856512637e+00 2.24 6.030932114e+00 6.030932114e+00 2.26 5.265487926e+00 5.265487926e+00 2.28 4.556255947e+00 4.556255947e+00 2.30 3.899596238e+00 3.899596238e+00 2.32 3.292120643e+00 3.292120643e+00 2.34 2.730666493e+00 2.730666493e+00 2.36 2.212266058e+00 2.212266058e+00 2.38 1.734124004e+00 1.734124004e+00 2.40 1.293599910e+00 1.293599910e+00 2.42 8.881973509e-01 8.881973509e-01 2.44 5.155581365e-01 5.155581365e-01 2.46 1.734600771e-01 1.734600771e-01 2.48 -1.401849946e-01 -1.401849946e-01 2.50 -4.273349078e-01 -4.273349078e-01 2.52 -6.898236632e-01 -6.898236632e-01 2.54 -9.293707513e-01 -9.293707513e-01 2.56 -1.147592394e+00 -1.147592394e+00 2.58 -1.346012963e+00 -1.346012963e+00 2.60 -1.526074040e+00 -1.526074040e+00 2.62 -1.689138067e+00 -1.689138067e+00 2.64 -1.836488365e+00 -1.836488365e+00 2.66 -1.969343304e+00 -1.969343304e+00 2.68 -2.088860936e+00 -2.088860936e+00 2.70 -2.195970355e+00 -2.195970355e+00 2.72 -2.291513142e+00 -2.291513142e+00 2.74 -2.376260777e+00 -2.376260777e+00 2.76 -2.450921615e+00 -2.450921615e+00 2.78 -2.516149178e+00 -2.516149178e+00 2.80 -2.572550943e+00 -2.572550943e+00 2.82 -2.620693561e+00 -2.620693561e+00 2.84 -2.661104329e+00 -2.661104329e+00 2.86 -2.694276232e+00 -2.694276232e+00 2.88 -2.720675812e+00 -2.720675812e+00 2.90 -2.740859891e+00 -2.740859891e+00 2.92 -2.755306849e+00 -2.755306849e+00 2.94 -2.764246591e+00 -2.764246591e+00 2.96 -2.767931018e+00 -2.767931018e+00 2.98 -2.766636529e+00 -2.766636529e+00 3.00 -2.760664156e+00 -2.760664156e+00 3.02 -2.750338922e+00 -2.750338922e+00 3.04 -2.736006567e+00 -2.736006567e+00 3.06 -2.718030761e+00 -2.718030761e+00 3.08 -2.696789725e+00 -2.696789725e+00 3.10 -2.672665018e+00 -2.672665018e+00 3.12 -2.646048423e+00 -2.646048423e+00 3.14 -2.617270112e+00 -2.617270112e+00 3.16 -2.586596237e+00 -2.586596237e+00 3.18 -2.554265244e+00 -2.554265244e+00 3.20 -2.520486650e+00 -2.520486650e+00 3.22 -2.485442854e+00 -2.485442854e+00 3.24 -2.449292198e+00 -2.449292198e+00 3.26 -2.412172499e+00 -2.412172499e+00 3.28 -2.374203156e+00 -2.374203156e+00 3.30 -2.335482137e+00 -2.335482137e+00 3.32 -2.296095689e+00 -2.296095689e+00 3.34 -2.256125244e+00 -2.256125244e+00 3.36 -2.215649377e+00 -2.215649377e+00 3.38 -2.174745291e+00 -2.174745291e+00 3.40 -2.133489529e+00 -2.133489529e+00 3.42 -2.091958905e+00 -2.091958905e+00 3.44 -2.050229229e+00 -2.050229229e+00 3.46 -2.008375449e+00 -2.008375449e+00 3.48 -1.966470652e+00 -1.966470652e+00 3.50 -1.924585203e+00 -1.924585203e+00 3.52 -1.882785938e+00 -1.882785938e+00 3.54 -1.841135509e+00 -1.841135509e+00 3.56 -1.799691928e+00 -1.799691928e+00 3.58 -1.758508345e+00 -1.758508345e+00 3.60 -1.717633039e+00 -1.717633039e+00 3.62 -1.677109605e+00 -1.677109605e+00 3.64 -1.636977281e+00 -1.636977281e+00 3.66 -1.597271344e+00 -1.597271344e+00 3.68 -1.558023495e+00 -1.558023495e+00 3.70 -1.519262166e+00 -1.519262166e+00 3.72 -1.481012679e+00 -1.481012679e+00 3.74 -1.443297254e+00 -1.443297254e+00 3.76 -1.406134874e+00 -1.406134874e+00 3.78 -1.369541092e+00 -1.369541092e+00 3.80 -1.333527869e+00 -1.333527869e+00 3.82 -1.298103530e+00 -1.298103530e+00 3.84 -1.263272903e+00 -1.263272903e+00 3.86 -1.229037660e+00 -1.229037660e+00 3.88 -1.195396807e+00 -1.195396807e+00 3.90 -1.162347254e+00 -1.162347254e+00 3.92 -1.129884023e+00 -1.129884023e+00 3.94 -1.098002213e+00 -1.098002213e+00 3.96 -1.066695024e+00 -1.066695024e+00 3.98 -1.035955616e+00 -1.035955616e+00 4.00 -1.005776792e+00 -1.005776792e+00 4.02 -9.761510382e-01 -9.761510382e-01 4.04 -9.470705572e-01 -9.470705572e-01 4.06 -9.185273435e-01 -9.185273435e-01 4.08 -8.905133454e-01 -8.905133454e-01 4.10 -8.630197208e-01 -8.630197208e-01 4.12 -8.360415465e-01 -8.360415465e-01 4.14 -8.095716092e-01 -8.095716092e-01 4.16 -7.836057870e-01 -7.836057870e-01 4.18 -7.581424821e-01 -7.581424821e-01 4.20 -7.331832808e-01 -7.331832808e-01 4.22 -7.087334912e-01 -7.087334912e-01 4.24 -6.848024577e-01 -6.848024577e-01 4.26 -6.614035516e-01 -6.614035516e-01 4.28 -6.385537624e-01 -6.385537624e-01 4.30 -6.162728540e-01 -6.162728540e-01 4.32 -5.945821065e-01 -5.945821065e-01 4.34 -5.735027353e-01 -5.735027353e-01 4.36 -5.530541315e-01 -5.530541315e-01 4.38 -5.332521164e-01 -5.332521164e-01 4.40 -5.141074019e-01 -5.141074019e-01 4.42 -4.956244295e-01 -4.956244295e-01 4.44 -4.778006967e-01 -4.778006967e-01 4.46 -4.606266099e-01 -4.606266099e-01 4.48 -4.440858275e-01 -4.440858275e-01 4.50 -4.281560018e-01 -4.281560018e-01 4.52 -4.128097908e-01 -4.128097908e-01 4.54 -3.980160093e-01 -3.980160093e-01 4.56 -3.837408000e-01 -3.837408000e-01 4.58 -3.699487340e-01 -3.699487340e-01 4.60 -3.566037850e-01 -3.566037850e-01 4.62 -3.436701522e-01 -3.436701522e-01 4.64 -3.311129330e-01 -3.311129330e-01 4.66 -3.188986636e-01 -3.188986636e-01 4.68 -3.069957586e-01 -3.069957586e-01 4.70 -2.953748794e-01 -2.953748794e-01 4.72 -2.840092644e-01 -2.840092644e-01 4.74 -2.728750451e-01 -2.728750451e-01 4.76 -2.619515640e-01 -2.619515640e-01 4.78 -2.512217027e-01 -2.512217027e-01 4.80 -2.406714482e-01 -2.406714482e-01 4.82 -2.302933949e-01 -2.302933949e-01 4.84 -2.200820493e-01 -2.200820493e-01 4.86 -2.100374992e-01 -2.100374992e-01 4.88 -2.001645854e-01 -2.001645854e-01 4.90 -1.904728166e-01 -1.904728166e-01 4.92 -1.809760791e-01 -1.809760791e-01 4.94 -1.716921143e-01 -1.716921143e-01 4.96 -1.626417555e-01 -1.626417555e-01 4.98 -1.538479454e-01 -1.538479454e-01 5.00 -1.453345812e-01 -1.453345812e-01 5.02 -1.371252564e-01 -1.371252564e-01 5.04 -1.292419985e-01 -1.292419985e-01 5.06 -1.217041005e-01 -1.217041005e-01 5.08 -1.145271389e-01 -1.145271389e-01 5.10 -1.077222525e-01 -1.077222525e-01 5.12 -1.012957237e-01 -1.012957237e-01 5.14 -9.524887928e-02 -9.524887928e-02 5.16 -8.957828568e-02 -8.957828568e-02 5.18 -8.427618831e-02 -8.427618831e-02 5.20 -7.933089904e-02 -7.933089904e-02 5.22 -7.472758525e-02 -7.472758525e-02 5.24 -7.044995999e-02 -7.044995999e-02 5.26 -6.648008966e-02 -6.648008966e-02 5.28 -6.279904777e-02 -6.279904777e-02 5.30 -5.938751041e-02 -5.938751041e-02 5.32 -5.622622932e-02 -5.622622932e-02 5.34 -5.329638604e-02 -5.329638604e-02 5.36 -5.057975829e-02 -5.057975829e-02 5.38 -4.805896002e-02 -4.805896002e-02 5.40 -4.571772278e-02 -4.571772278e-02 5.42 -4.354071622e-02 -4.354071622e-02 5.44 -4.151356289e-02 -4.151356289e-02 5.46 -3.962283431e-02 -3.962283431e-02 5.48 -3.785603198e-02 -3.785603198e-02 5.50 -3.620155944e-02 -3.620155944e-02 5.52 -3.464868901e-02 -3.464868901e-02 5.54 -3.318752522e-02 -3.318752522e-02 5.56 -3.180896592e-02 -3.180896592e-02 5.58 -3.050466182e-02 -3.050466182e-02 5.60 -2.926697475e-02 -2.926697475e-02 5.62 -2.808893557e-02 -2.808893557e-02 5.64 -2.696420167e-02 -2.696420167e-02 5.66 -2.588701567e-02 -2.588701567e-02 5.68 -2.485216589e-02 -2.485216589e-02 5.70 -2.385494927e-02 -2.385494927e-02 5.72 -2.289113761e-02 -2.289113761e-02 5.74 -2.195694766e-02 -2.195694766e-02 5.76 -2.104901570e-02 -2.104901570e-02 5.78 -2.016437659e-02 -2.016437659e-02 5.80 -1.930044743e-02 -1.930044743e-02 5.82 -1.845501561e-02 -1.845501561e-02 5.84 -1.762623054e-02 -1.762623054e-02 5.86 -1.681259840e-02 -1.681259840e-02 5.88 -1.601297888e-02 -1.601297888e-02 5.90 -1.522658234e-02 -1.522658234e-02 5.92 -1.445296613e-02 -1.445296613e-02 5.94 -1.369201368e-02 -1.369201368e-02 5.96 -1.294385381e-02 -1.294385381e-02 5.98 -1.220903264e-02 -1.220903264e-02 6.00 -1.148840822e-02 -1.148840822e-02