# 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 = PbPt2Zr # 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 5.005718306e+02 5.005718306e+02 1.30 4.692721541e+02 4.692721541e+02 1.32 4.400149716e+02 4.400149716e+02 1.34 4.126460236e+02 4.126460236e+02 1.36 3.870246000e+02 3.870246000e+02 1.38 3.630233199e+02 3.630233199e+02 1.40 3.405283072e+02 3.405283072e+02 1.42 3.194398236e+02 3.194398236e+02 1.44 2.996688833e+02 2.996688833e+02 1.46 2.811305896e+02 2.811305896e+02 1.48 2.637406325e+02 2.637406325e+02 1.50 2.474172146e+02 2.474172146e+02 1.52 2.320839893e+02 2.320839893e+02 1.54 2.176703729e+02 2.176703729e+02 1.56 2.041102623e+02 2.041102623e+02 1.58 1.913408023e+02 1.913408023e+02 1.60 1.793025190e+02 1.793025190e+02 1.62 1.679403341e+02 1.679403341e+02 1.64 1.572048017e+02 1.572048017e+02 1.66 1.470526332e+02 1.470526332e+02 1.68 1.374467402e+02 1.374467402e+02 1.70 1.283556390e+02 1.283556390e+02 1.72 1.197522660e+02 1.197522660e+02 1.74 1.116119225e+02 1.116119225e+02 1.76 1.039100361e+02 1.039100361e+02 1.78 9.662084426e+01 9.662084426e+01 1.80 8.971786724e+01 8.971786724e+01 1.82 8.317551098e+01 8.317551098e+01 1.84 7.697116527e+01 7.697116527e+01 1.86 7.108664959e+01 7.108664959e+01 1.88 6.550781710e+01 6.550781710e+01 1.90 6.022534788e+01 6.022534788e+01 1.92 5.530267954e+01 5.530267954e+01 1.94 5.075111066e+01 5.075111066e+01 1.96 4.654205301e+01 4.654205301e+01 1.98 4.264757818e+01 4.264757818e+01 2.00 3.904143943e+01 3.904143943e+01 2.02 3.569973949e+01 3.569973949e+01 2.04 3.260115261e+01 3.260115261e+01 2.06 2.972681882e+01 2.972681882e+01 2.08 2.706006207e+01 2.706006207e+01 2.10 2.458603077e+01 2.458603077e+01 2.12 2.229126414e+01 2.229126414e+01 2.14 2.016332111e+01 2.016332111e+01 2.16 1.819048442e+01 1.819048442e+01 2.18 1.636162924e+01 1.636162924e+01 2.20 1.466624279e+01 1.466624279e+01 2.22 1.309450252e+01 1.309450252e+01 2.24 1.163734795e+01 1.163734795e+01 2.26 1.028650480e+01 1.028650480e+01 2.28 9.034470252e+00 9.034470252e+00 2.30 7.874446823e+00 7.874446823e+00 2.32 6.800289714e+00 6.800289714e+00 2.34 5.806393849e+00 5.806393849e+00 2.36 4.887629602e+00 4.887629602e+00 2.38 4.039260409e+00 4.039260409e+00 2.40 3.256875418e+00 3.256875418e+00 2.42 2.536325961e+00 2.536325961e+00 2.44 1.873673578e+00 1.873673578e+00 2.46 1.265140053e+00 1.265140053e+00 2.48 7.070738495e-01 7.070738495e-01 2.50 1.959325637e-01 1.959325637e-01 2.52 -2.717166542e-01 -2.717166542e-01 2.54 -6.991796830e-01 -6.991796830e-01 2.56 -1.089604090e+00 -1.089604090e+00 2.58 -1.445940354e+00 -1.445940354e+00 2.60 -1.770905826e+00 -1.770905826e+00 2.62 -2.066961036e+00 -2.066961036e+00 2.64 -2.336311617e+00 -2.336311617e+00 2.66 -2.580917579e+00 -2.580917579e+00 2.68 -2.802576684e+00 -2.802576684e+00 2.70 -3.002845250e+00 -3.002845250e+00 2.72 -3.183091711e+00 -3.183091711e+00 2.74 -3.344630955e+00 -3.344630955e+00 2.76 -3.490290641e+00 -3.490290641e+00 2.78 -3.621529253e+00 -3.621529253e+00 2.80 -3.738870816e+00 -3.738870816e+00 2.82 -3.842834206e+00 -3.842834206e+00 2.84 -3.933940035e+00 -3.933940035e+00 2.86 -4.012684364e+00 -4.012684364e+00 2.88 -4.079509390e+00 -4.079509390e+00 2.90 -4.134895924e+00 -4.134895924e+00 2.92 -4.179388340e+00 -4.179388340e+00 2.94 -4.213601215e+00 -4.213601215e+00 2.96 -4.238218342e+00 -4.238218342e+00 2.98 -4.253980616e+00 -4.253980616e+00 3.00 -4.261662146e+00 -4.261662146e+00 3.02 -4.262037742e+00 -4.262037742e+00 3.04 -4.255847226e+00 -4.255847226e+00 3.06 -4.243769787e+00 -4.243769787e+00 3.08 -4.226398934e+00 -4.226398934e+00 3.10 -4.204241124e+00 -4.204241124e+00 3.12 -4.177717167e+00 -4.177717167e+00 3.14 -4.147188996e+00 -4.147188996e+00 3.16 -4.112955290e+00 -4.112955290e+00 3.18 -4.075283184e+00 -4.075283184e+00 3.20 -4.034418472e+00 -4.034418472e+00 3.22 -3.990596750e+00 -3.990596750e+00 3.24 -3.944051507e+00 -3.944051507e+00 3.26 -3.895019428e+00 -3.895019428e+00 3.28 -3.843742937e+00 -3.843742937e+00 3.30 -3.790469746e+00 -3.790469746e+00 3.32 -3.735449275e+00 -3.735449275e+00 3.34 -3.678926464e+00 -3.678926464e+00 3.36 -3.621134296e+00 -3.621134296e+00 3.38 -3.562286889e+00 -3.562286889e+00 3.40 -3.502573962e+00 -3.502573962e+00 3.42 -3.442162899e+00 -3.442162899e+00 3.44 -3.381194183e+00 -3.381194183e+00 3.46 -3.319788674e+00 -3.319788674e+00 3.48 -3.258050347e+00 -3.258050347e+00 3.50 -3.196069840e+00 -3.196069840e+00 3.52 -3.133927151e+00 -3.133927151e+00 3.54 -3.071693330e+00 -3.071693330e+00 3.56 -3.009431310e+00 -3.009431310e+00 3.58 -2.947196131e+00 -2.947196131e+00 3.60 -2.885036572e+00 -2.885036572e+00 3.62 -2.823016062e+00 -2.823016062e+00 3.64 -2.761156011e+00 -2.761156011e+00 3.66 -2.699460304e+00 -2.699460304e+00 3.68 -2.637929605e+00 -2.637929605e+00 3.70 -2.576579055e+00 -2.576579055e+00 3.72 -2.515480799e+00 -2.515480799e+00 3.74 -2.454708180e+00 -2.454708180e+00 3.76 -2.394323470e+00 -2.394323470e+00 3.78 -2.334381629e+00 -2.334381629e+00 3.80 -2.274933552e+00 -2.274933552e+00 3.82 -2.216026233e+00 -2.216026233e+00 3.84 -2.157703493e+00 -2.157703493e+00 3.86 -2.100011653e+00 -2.100011653e+00 3.88 -2.042999205e+00 -2.042999205e+00 3.90 -1.986715178e+00 -1.986715178e+00 3.92 -1.931205626e+00 -1.931205626e+00 3.94 -1.876516702e+00 -1.876516702e+00 3.96 -1.822684522e+00 -1.822684522e+00 3.98 -1.769740354e+00 -1.769740354e+00 4.00 -1.717709517e+00 -1.717709517e+00 4.02 -1.666612948e+00 -1.666612948e+00 4.04 -1.616469547e+00 -1.616469547e+00 4.06 -1.567298867e+00 -1.567298867e+00 4.08 -1.519123643e+00 -1.519123643e+00 4.10 -1.471967229e+00 -1.471967229e+00 4.12 -1.425873485e+00 -1.425873485e+00 4.14 -1.380876601e+00 -1.380876601e+00 4.16 -1.337020800e+00 -1.337020800e+00 4.18 -1.294351997e+00 -1.294351997e+00 4.20 -1.252914218e+00 -1.252914218e+00 4.22 -1.212745538e+00 -1.212745538e+00 4.24 -1.173874081e+00 -1.173874081e+00 4.26 -1.136314605e+00 -1.136314605e+00 4.28 -1.100066113e+00 -1.100066113e+00 4.30 -1.065110764e+00 -1.065110764e+00 4.32 -1.031414109e+00 -1.031414109e+00 4.34 -9.989265145e-01 -9.989265145e-01 4.36 -9.675854452e-01 -9.675854452e-01 4.38 -9.373182472e-01 -9.373182472e-01 4.40 -9.080450621e-01 -9.080450621e-01 4.42 -8.796815797e-01 -8.796815797e-01 4.44 -8.521414341e-01 -8.521414341e-01 4.46 -8.253381503e-01 -8.253381503e-01 4.48 -7.991866380e-01 -7.991866380e-01 4.50 -7.736042920e-01 -7.736042920e-01 4.52 -7.485118004e-01 -7.485118004e-01 4.54 -7.238337783e-01 -7.238337783e-01 4.56 -6.994993448e-01 -6.994993448e-01 4.58 -6.754427533e-01 -6.754427533e-01 4.60 -6.516041601e-01 -6.516041601e-01 4.62 -6.279305938e-01 -6.279305938e-01 4.64 -6.043771526e-01 -6.043771526e-01 4.66 -5.809084187e-01 -5.809084187e-01 4.68 -5.575000354e-01 -5.575000354e-01 4.70 -5.341403443e-01 -5.341403443e-01 4.72 -5.108319338e-01 -5.108319338e-01 4.74 -4.875929073e-01 -4.875929073e-01 4.76 -4.644576543e-01 -4.644576543e-01 4.78 -4.414769061e-01 -4.414769061e-01 4.80 -4.187131979e-01 -4.187131979e-01 4.82 -3.962543485e-01 -3.962543485e-01 4.84 -3.741864954e-01 -3.741864954e-01 4.86 -3.526070312e-01 -3.526070312e-01 4.88 -3.316156399e-01 -3.316156399e-01 4.90 -3.113094083e-01 -3.113094083e-01 4.92 -2.917780160e-01 -2.917780160e-01 4.94 -2.730994279e-01 -2.730994279e-01 4.96 -2.553364578e-01 -2.553364578e-01 4.98 -2.385344599e-01 -2.385344599e-01 5.00 -2.227202617e-01 -2.227202617e-01 5.02 -2.079023090e-01 -2.079023090e-01 5.04 -1.940718662e-01 -1.940718662e-01 5.06 -1.812050315e-01 -1.812050315e-01 5.08 -1.692652894e-01 -1.692652894e-01 5.10 -1.582063200e-01 -1.582063200e-01 5.12 -1.479748253e-01 -1.479748253e-01 5.14 -1.385131820e-01 -1.385131820e-01 5.16 -1.297617932e-01 -1.297617932e-01 5.18 -1.216610661e-01 -1.216610661e-01 5.20 -1.141529929e-01 -1.141529929e-01 5.22 -1.071823461e-01 -1.071823461e-01 5.24 -1.006975251e-01 -1.006975251e-01 5.26 -9.465110275e-02 -9.465110275e-02 5.28 -8.900012695e-02 -8.900012695e-02 5.30 -8.370622847e-02 -8.370622847e-02 5.32 -7.873558517e-02 -7.873558517e-02 5.34 -7.405877852e-02 -7.405877852e-02 5.36 -6.965057213e-02 -6.965057213e-02 5.38 -6.548957989e-02 -6.548957989e-02 5.40 -6.155788612e-02 -6.155788612e-02 5.42 -5.784104622e-02 -5.784104622e-02 5.44 -5.432737977e-02 -5.432737977e-02 5.46 -5.100750716e-02 -5.100750716e-02 5.48 -4.787388834e-02 -4.787388834e-02 5.50 -4.492034346e-02 -4.492034346e-02 5.52 -4.214157229e-02 -4.214157229e-02 5.54 -3.953270448e-02 -3.953270448e-02 5.56 -3.708890339e-02 -3.708890339e-02 5.58 -3.480504623e-02 -3.480504623e-02 5.60 -3.267547741e-02 -3.267547741e-02 5.62 -3.069342335e-02 -3.069342335e-02 5.64 -2.885202835e-02 -2.885202835e-02 5.66 -2.714401061e-02 -2.714401061e-02 5.68 -2.556143880e-02 -2.556143880e-02 5.70 -2.409591705e-02 -2.409591705e-02 5.72 -2.273878513e-02 -2.273878513e-02 5.74 -2.148131484e-02 -2.148131484e-02 5.76 -2.031488862e-02 -2.031488862e-02 5.78 -1.923115122e-02 -1.923115122e-02 5.80 -1.822213040e-02 -1.822213040e-02 5.82 -1.728032590e-02 -1.728032590e-02 5.84 -1.639876909e-02 -1.639876909e-02 5.86 -1.557105686e-02 -1.557105686e-02 5.88 -1.479136434e-02 -1.479136434e-02 5.90 -1.405444100e-02 -1.405444100e-02 5.92 -1.335559447e-02 -1.335559447e-02 5.94 -1.269066569e-02 -1.269066569e-02 5.96 -1.205599849e-02 -1.205599849e-02 5.98 -1.144840605e-02 -1.144840605e-02 6.00 -1.086513593e-02 -1.086513593e-02