# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1989--Adams-J-B-Foiles-S-M-Wolfer-W-G--Ag-Au-Cu-Ni-Pd-Pt # implementation = 1989--Adams-J-B--Ag-Au-Cu-Ni-Pd-Pt--LAMMPS--ipr1 # composition = Au2NiPt # 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 2022-05-24 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 9.116639436e+02 9.116639436e+02 1.00 8.320073054e+02 8.320073054e+02 1.02 7.599879926e+02 7.599879926e+02 1.04 6.948232632e+02 6.948232632e+02 1.06 6.358119064e+02 6.358119064e+02 1.08 5.823298128e+02 5.823298128e+02 1.10 5.338214012e+02 5.338214012e+02 1.12 4.897829077e+02 4.897829077e+02 1.14 4.497676366e+02 4.497676366e+02 1.16 4.133789944e+02 4.133789944e+02 1.18 3.802582929e+02 3.802582929e+02 1.20 3.500822684e+02 3.500822684e+02 1.22 3.225617796e+02 3.225617796e+02 1.24 2.974376749e+02 2.974376749e+02 1.26 2.744769071e+02 2.744769071e+02 1.28 2.534707357e+02 2.534707357e+02 1.30 2.342322132e+02 2.342322132e+02 1.32 2.165925172e+02 2.165925172e+02 1.34 2.003999586e+02 2.003999586e+02 1.36 1.855194344e+02 1.855194344e+02 1.38 1.718294306e+02 1.718294306e+02 1.40 1.592201865e+02 1.592201865e+02 1.42 1.475942248e+02 1.475942248e+02 1.44 1.368621655e+02 1.368621655e+02 1.46 1.269441709e+02 1.269441709e+02 1.48 1.177678962e+02 1.177678962e+02 1.50 1.092690974e+02 1.092690974e+02 1.52 1.013900695e+02 1.013900695e+02 1.54 9.407786469e+01 9.407786469e+01 1.56 8.728533710e+01 8.728533710e+01 1.58 8.097009558e+01 8.097009558e+01 1.60 7.509320210e+01 7.509320210e+01 1.62 6.962007341e+01 6.962007341e+01 1.64 6.451786638e+01 6.451786638e+01 1.66 5.975824002e+01 5.975824002e+01 1.68 5.531521737e+01 5.531521737e+01 1.70 5.116482750e+01 5.116482750e+01 1.72 4.728463343e+01 4.728463343e+01 1.74 4.365591780e+01 4.365591780e+01 1.76 4.026057764e+01 4.026057764e+01 1.78 3.708217369e+01 3.708217369e+01 1.80 3.410537041e+01 3.410537041e+01 1.82 3.131617125e+01 3.131617125e+01 1.84 2.870178504e+01 2.870178504e+01 1.86 2.625024798e+01 2.625024798e+01 1.88 2.395400423e+01 2.395400423e+01 1.90 2.177954315e+01 2.177954315e+01 1.92 1.975182751e+01 1.975182751e+01 1.94 1.784563661e+01 1.784563661e+01 1.96 1.605575660e+01 1.605575660e+01 1.98 1.437717126e+01 1.437717126e+01 2.00 1.280492545e+01 1.280492545e+01 2.02 1.133419925e+01 1.133419925e+01 2.04 9.960273808e+00 9.960273808e+00 2.06 8.678370835e+00 8.678370835e+00 2.08 7.483922332e+00 7.483922332e+00 2.10 6.372701671e+00 6.372701671e+00 2.12 5.340686894e+00 5.340686894e+00 2.14 4.383716319e+00 4.383716319e+00 2.16 3.498366725e+00 3.498366725e+00 2.18 2.679988788e+00 2.679988788e+00 2.20 1.924940416e+00 1.924940416e+00 2.22 1.229500233e+00 1.229500233e+00 2.24 5.904164815e-01 5.904164815e-01 2.26 4.499849680e-03 4.499849680e-03 2.28 -5.313782862e-01 -5.313782862e-01 2.30 -1.019981687e+00 -1.019981687e+00 2.32 -1.464445380e+00 -1.464445380e+00 2.34 -1.867470482e+00 -1.867470482e+00 2.36 -2.231680136e+00 -2.231680136e+00 2.38 -2.559575787e+00 -2.559575787e+00 2.40 -2.853376712e+00 -2.853376712e+00 2.42 -3.115429410e+00 -3.115429410e+00 2.44 -3.347986861e+00 -3.347986861e+00 2.46 -3.553102643e+00 -3.553102643e+00 2.48 -3.732718049e+00 -3.732718049e+00 2.50 -3.888672397e+00 -3.888672397e+00 2.52 -4.022929761e+00 -4.022929761e+00 2.54 -4.137056888e+00 -4.137056888e+00 2.56 -4.232354607e+00 -4.232354607e+00 2.58 -4.310297493e+00 -4.310297493e+00 2.60 -4.372372352e+00 -4.372372352e+00 2.62 -4.419866314e+00 -4.419866314e+00 2.64 -4.453987205e+00 -4.453987205e+00 2.66 -4.475919174e+00 -4.475919174e+00 2.68 -4.486557049e+00 -4.486557049e+00 2.70 -4.486927403e+00 -4.486927403e+00 2.72 -4.478023831e+00 -4.478023831e+00 2.74 -4.460709672e+00 -4.460709672e+00 2.76 -4.435785628e+00 -4.435785628e+00 2.78 -4.404291541e+00 -4.404291541e+00 2.80 -4.366918688e+00 -4.366918688e+00 2.82 -4.323686430e+00 -4.323686430e+00 2.84 -4.275386127e+00 -4.275386127e+00 2.86 -4.222725192e+00 -4.222725192e+00 2.88 -4.166208834e+00 -4.166208834e+00 2.90 -4.106345630e+00 -4.106345630e+00 2.92 -4.043984680e+00 -4.043984680e+00 2.94 -3.978997673e+00 -3.978997673e+00 2.96 -3.911513023e+00 -3.911513023e+00 2.98 -3.841982654e+00 -3.841982654e+00 3.00 -3.770897973e+00 -3.770897973e+00 3.02 -3.698539849e+00 -3.698539849e+00 3.04 -3.625189388e+00 -3.625189388e+00 3.06 -3.550806040e+00 -3.550806040e+00 3.08 -3.475478623e+00 -3.475478623e+00 3.10 -3.399838095e+00 -3.399838095e+00 3.12 -3.324051778e+00 -3.324051778e+00 3.14 -3.248282548e+00 -3.248282548e+00 3.16 -3.172678175e+00 -3.172678175e+00 3.18 -3.097372271e+00 -3.097372271e+00 3.20 -3.022485440e+00 -3.022485440e+00 3.22 -2.948126258e+00 -2.948126258e+00 3.24 -2.874385853e+00 -2.874385853e+00 3.26 -2.801681429e+00 -2.801681429e+00 3.28 -2.729857410e+00 -2.729857410e+00 3.30 -2.658868889e+00 -2.658868889e+00 3.32 -2.588778084e+00 -2.588778084e+00 3.34 -2.519640087e+00 -2.519640087e+00 3.36 -2.451503290e+00 -2.451503290e+00 3.38 -2.384409917e+00 -2.384409917e+00 3.40 -2.318420536e+00 -2.318420536e+00 3.42 -2.253878264e+00 -2.253878264e+00 3.44 -2.190454252e+00 -2.190454252e+00 3.46 -2.128168209e+00 -2.128168209e+00 3.48 -2.067047650e+00 -2.067047650e+00 3.50 -2.007129380e+00 -2.007129380e+00 3.52 -1.948338072e+00 -1.948338072e+00 3.54 -1.890607042e+00 -1.890607042e+00 3.56 -1.834010561e+00 -1.834010561e+00 3.58 -1.778635252e+00 -1.778635252e+00 3.60 -1.724468597e+00 -1.724468597e+00 3.62 -1.671455128e+00 -1.671455128e+00 3.64 -1.619560759e+00 -1.619560759e+00 3.66 -1.568792106e+00 -1.568792106e+00 3.68 -1.519164411e+00 -1.519164411e+00 3.70 -1.470684375e+00 -1.470684375e+00 3.72 -1.423326857e+00 -1.423326857e+00 3.74 -1.377082122e+00 -1.377082122e+00 3.76 -1.331954767e+00 -1.331954767e+00 3.78 -1.287952612e+00 -1.287952612e+00 3.80 -1.245067834e+00 -1.245067834e+00 3.82 -1.203262825e+00 -1.203262825e+00 3.84 -1.162534543e+00 -1.162534543e+00 3.86 -1.122883192e+00 -1.122883192e+00 3.88 -1.084300026e+00 -1.084300026e+00 3.90 -1.046733836e+00 -1.046733836e+00 3.92 -1.010041568e+00 -1.010041568e+00 3.94 -9.742963806e-01 -9.742963806e-01 3.96 -9.395694435e-01 -9.395694435e-01 3.98 -9.058659354e-01 -9.058659354e-01 4.00 -8.732016010e-01 -8.732016010e-01 4.02 -8.415495411e-01 -8.415495411e-01 4.04 -8.110104399e-01 -8.110104399e-01 4.06 -7.817250338e-01 -7.817250338e-01 4.08 -7.535168454e-01 -7.535168454e-01 4.10 -7.262204628e-01 -7.262204628e-01 4.12 -6.997438585e-01 -6.997438585e-01 4.14 -6.740048486e-01 -6.740048486e-01 4.16 -6.489959066e-01 -6.489959066e-01 4.18 -6.249002720e-01 -6.249002720e-01 4.20 -6.011119382e-01 -6.011119382e-01 4.22 -5.775316954e-01 -5.775316954e-01 4.24 -5.540933394e-01 -5.540933394e-01 4.26 -5.307624228e-01 -5.307624228e-01 4.28 -5.074699512e-01 -5.074699512e-01 4.30 -4.842684571e-01 -4.842684571e-01 4.32 -4.612646193e-01 -4.612646193e-01 4.34 -4.385489942e-01 -4.385489942e-01 4.36 -4.161945734e-01 -4.161945734e-01 4.38 -3.942370436e-01 -3.942370436e-01 4.40 -3.727137567e-01 -3.727137567e-01 4.42 -3.517273324e-01 -3.517273324e-01 4.44 -3.313684891e-01 -3.313684891e-01 4.46 -3.117030134e-01 -3.117030134e-01 4.48 -2.927762407e-01 -2.927762407e-01 4.50 -2.746168231e-01 -2.746168231e-01 4.52 -2.572398936e-01 -2.572398936e-01 4.54 -2.406497185e-01 -2.406497185e-01 4.56 -2.248418180e-01 -2.248418180e-01 4.58 -2.097965665e-01 -2.097965665e-01 4.60 -1.957387853e-01 -1.957387853e-01 4.62 -1.826249565e-01 -1.826249565e-01 4.64 -1.701876932e-01 -1.701876932e-01 4.66 -1.584101532e-01 -1.584101532e-01 4.68 -1.472660761e-01 -1.472660761e-01 4.70 -1.367285740e-01 -1.367285740e-01 4.72 -1.267705523e-01 -1.267705523e-01 4.74 -1.173650193e-01 -1.173650193e-01 4.76 -1.084853301e-01 -1.084853301e-01 4.78 -1.001089367e-01 -1.001089367e-01 4.80 -9.220393516e-02 -9.220393516e-02 4.82 -8.589327451e-02 -8.589327451e-02 4.84 -8.006222448e-02 -8.006222448e-02 4.86 -7.455749635e-02 -7.455749635e-02 4.88 -6.936214491e-02 -6.936214491e-02 4.90 -6.445984151e-02 -6.445984151e-02 4.92 -5.983495215e-02 -5.983495215e-02 4.94 -5.547253763e-02 -5.547253763e-02 4.96 -5.135834670e-02 -5.135834670e-02 4.98 -4.747880428e-02 -4.747880428e-02 5.00 -4.382099591e-02 -4.382099591e-02 5.02 -4.037264976e-02 -4.037264976e-02 5.04 -3.712211620e-02 -3.712211620e-02 5.06 -3.405834510e-02 -3.405834510e-02 5.08 -3.117086293e-02 -3.117086293e-02 5.10 -2.844974909e-02 -2.844974909e-02 5.12 -2.588561238e-02 -2.588561238e-02 5.14 -2.346956699e-02 -2.346956699e-02 5.16 -2.119320890e-02 -2.119320890e-02 5.18 -1.904859275e-02 -1.904859275e-02 5.20 -1.702820941e-02 -1.702820941e-02 5.22 -1.512496434e-02 -1.512496434e-02 5.24 -1.333215613e-02 -1.333215613e-02 5.26 -1.164344302e-02 -1.164344302e-02 5.28 -1.005371145e-02 -1.005371145e-02 5.30 -8.576047817e-03 -8.576047817e-03 5.32 -7.602805893e-03 -7.602805893e-03 5.34 -6.701540833e-03 -6.701540833e-03 5.36 -5.857727305e-03 -5.857727305e-03 5.38 -5.064829292e-03 -5.064829292e-03 5.40 -4.319851369e-03 -4.319851369e-03 5.42 -3.619969931e-03 -3.619969931e-03 5.44 -2.962523588e-03 -2.962523588e-03 5.46 -2.345004107e-03 -2.345004107e-03 5.48 -1.765047867e-03 -1.765047867e-03 5.50 -1.220427765e-03 -1.220427765e-03 5.52 -7.090454583e-04 -7.090454583e-04 5.54 -2.258426339e-04 -2.258426339e-04 5.56 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00