# 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 = Fe2NiZr # 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 2.029001667e+02 2.029001667e+02 1.30 1.858886115e+02 1.858886115e+02 1.32 1.702489491e+02 1.702489491e+02 1.34 1.558589510e+02 1.558589510e+02 1.36 1.426114402e+02 1.426114402e+02 1.38 1.304130677e+02 1.304130677e+02 1.40 1.191816318e+02 1.191816318e+02 1.42 1.088430356e+02 1.088430356e+02 1.44 9.932922755e+01 9.932922755e+01 1.46 9.057751762e+01 9.057751762e+01 1.48 8.253047195e+01 8.253047195e+01 1.50 7.513533923e+01 7.513533923e+01 1.52 6.834299202e+01 6.834299202e+01 1.54 6.210697372e+01 6.210697372e+01 1.56 5.638309832e+01 5.638309832e+01 1.58 5.112957086e+01 5.112957086e+01 1.60 4.630726678e+01 4.630726678e+01 1.62 4.187991519e+01 4.187991519e+01 1.64 3.781413381e+01 3.781413381e+01 1.66 3.407935332e+01 3.407935332e+01 1.68 3.064767938e+01 3.064767938e+01 1.70 2.749380326e+01 2.749380326e+01 1.72 2.459483304e+01 2.459483304e+01 1.74 2.193035154e+01 2.193035154e+01 1.76 1.948221165e+01 1.948221165e+01 1.78 1.723328676e+01 1.723328676e+01 1.80 1.516776154e+01 1.516776154e+01 1.82 1.327131546e+01 1.327131546e+01 1.84 1.153075635e+01 1.153075635e+01 1.86 9.933900028e+00 9.933900028e+00 1.88 8.469534015e+00 8.469534015e+00 1.90 7.127407783e+00 7.127407783e+00 1.92 5.898153123e+00 5.898153123e+00 1.94 4.773142954e+00 4.773142954e+00 1.96 3.744306313e+00 3.744306313e+00 1.98 2.804026397e+00 2.804026397e+00 2.00 1.945118037e+00 1.945118037e+00 2.02 1.160852577e+00 1.160852577e+00 2.04 4.450003727e-01 4.450003727e-01 2.06 -2.081381091e-01 -2.081381091e-01 2.08 -8.037323741e-01 -8.037323741e-01 2.10 -1.346442282e+00 -1.346442282e+00 2.12 -1.840450519e+00 -1.840450519e+00 2.14 -2.289504990e+00 -2.289504990e+00 2.16 -2.696954775e+00 -2.696954775e+00 2.18 -3.065808312e+00 -3.065808312e+00 2.20 -3.398800758e+00 -3.398800758e+00 2.22 -3.698478685e+00 -3.698478685e+00 2.24 -3.967260647e+00 -3.967260647e+00 2.26 -4.207464610e+00 -4.207464610e+00 2.28 -4.421316965e+00 -4.421316965e+00 2.30 -4.610920691e+00 -4.610920691e+00 2.32 -4.778266477e+00 -4.778266477e+00 2.34 -4.925200031e+00 -4.925200031e+00 2.36 -5.053432685e+00 -5.053432685e+00 2.38 -5.164531667e+00 -5.164531667e+00 2.40 -5.259920184e+00 -5.259920184e+00 2.42 -5.340962630e+00 -5.340962630e+00 2.44 -5.408794709e+00 -5.408794709e+00 2.46 -5.464417864e+00 -5.464417864e+00 2.48 -5.508796382e+00 -5.508796382e+00 2.50 -5.542860429e+00 -5.542860429e+00 2.52 -5.567499867e+00 -5.567499867e+00 2.54 -5.583552356e+00 -5.583552356e+00 2.56 -5.591701654e+00 -5.591701654e+00 2.58 -5.592409160e+00 -5.592409160e+00 2.60 -5.586106342e+00 -5.586106342e+00 2.62 -5.573213630e+00 -5.573213630e+00 2.64 -5.554147196e+00 -5.554147196e+00 2.66 -5.529310584e+00 -5.529310584e+00 2.68 -5.499109405e+00 -5.499109405e+00 2.70 -5.463949968e+00 -5.463949968e+00 2.72 -5.424238344e+00 -5.424238344e+00 2.74 -5.380376072e+00 -5.380376072e+00 2.76 -5.332748611e+00 -5.332748611e+00 2.78 -5.281626289e+00 -5.281626289e+00 2.80 -5.227185950e+00 -5.227185950e+00 2.82 -5.169597942e+00 -5.169597942e+00 2.84 -5.109027828e+00 -5.109027828e+00 2.86 -5.045622418e+00 -5.045622418e+00 2.88 -4.979523985e+00 -4.979523985e+00 2.90 -4.910872170e+00 -4.910872170e+00 2.92 -4.839805805e+00 -4.839805805e+00 2.94 -4.766463932e+00 -4.766463932e+00 2.96 -4.690985726e+00 -4.690985726e+00 2.98 -4.613502211e+00 -4.613502211e+00 3.00 -4.534012881e+00 -4.534012881e+00 3.02 -4.452441035e+00 -4.452441035e+00 3.04 -4.368758180e+00 -4.368758180e+00 3.06 -4.282987932e+00 -4.282987932e+00 3.08 -4.195183859e+00 -4.195183859e+00 3.10 -4.105437709e+00 -4.105437709e+00 3.12 -4.013874735e+00 -4.013874735e+00 3.14 -3.920664390e+00 -3.920664390e+00 3.16 -3.826009963e+00 -3.826009963e+00 3.18 -3.730160575e+00 -3.730160575e+00 3.20 -3.633409579e+00 -3.633409579e+00 3.22 -3.536093470e+00 -3.536093470e+00 3.24 -3.438588298e+00 -3.438588298e+00 3.26 -3.341303084e+00 -3.341303084e+00 3.28 -3.244669679e+00 -3.244669679e+00 3.30 -3.149128636e+00 -3.149128636e+00 3.32 -3.055111367e+00 -3.055111367e+00 3.34 -2.963020032e+00 -2.963020032e+00 3.36 -2.873207672e+00 -2.873207672e+00 3.38 -2.785961638e+00 -2.785961638e+00 3.40 -2.701491627e+00 -2.701491627e+00 3.42 -2.619931607e+00 -2.619931607e+00 3.44 -2.541334640e+00 -2.541334640e+00 3.46 -2.465687854e+00 -2.465687854e+00 3.48 -2.392922903e+00 -2.392922903e+00 3.50 -2.322929239e+00 -2.322929239e+00 3.52 -2.255566911e+00 -2.255566911e+00 3.54 -2.190677830e+00 -2.190677830e+00 3.56 -2.128095024e+00 -2.128095024e+00 3.58 -2.067649796e+00 -2.067649796e+00 3.60 -2.009176993e+00 -2.009176993e+00 3.62 -1.952518710e+00 -1.952518710e+00 3.64 -1.897526831e+00 -1.897526831e+00 3.66 -1.844064791e+00 -1.844064791e+00 3.68 -1.792008904e+00 -1.792008904e+00 3.70 -1.741249533e+00 -1.741249533e+00 3.72 -1.691692299e+00 -1.691692299e+00 3.74 -1.643259396e+00 -1.643259396e+00 3.76 -1.595890970e+00 -1.595890970e+00 3.78 -1.549546343e+00 -1.549546343e+00 3.80 -1.504204756e+00 -1.504204756e+00 3.82 -1.459865176e+00 -1.459865176e+00 3.84 -1.416544739e+00 -1.416544739e+00 3.86 -1.374275531e+00 -1.374275531e+00 3.88 -1.333099683e+00 -1.333099683e+00 3.90 -1.293063182e+00 -1.293063182e+00 3.92 -1.254207588e+00 -1.254207588e+00 3.94 -1.216570142e+00 -1.216570142e+00 3.96 -1.180168650e+00 -1.180168650e+00 3.98 -1.145005753e+00 -1.145005753e+00 4.00 -1.111066345e+00 -1.111066345e+00 4.02 -1.078318930e+00 -1.078318930e+00 4.04 -1.046718431e+00 -1.046718431e+00 4.06 -1.016209765e+00 -1.016209765e+00 4.08 -9.867315460e-01 -9.867315460e-01 4.10 -9.582147736e-01 -9.582147736e-01 4.12 -9.306051271e-01 -9.306051271e-01 4.14 -9.038338151e-01 -9.038338151e-01 4.16 -8.778416480e-01 -8.778416480e-01 4.18 -8.525734962e-01 -8.525734962e-01 4.20 -8.279785459e-01 -8.279785459e-01 4.22 -8.040105974e-01 -8.040105974e-01 4.24 -7.806281822e-01 -7.806281822e-01 4.26 -7.577946159e-01 -7.577946159e-01 4.28 -7.354780648e-01 -7.354780648e-01 4.30 -7.136516656e-01 -7.136516656e-01 4.32 -6.922937023e-01 -6.922937023e-01 4.34 -6.713878182e-01 -6.713878182e-01 4.36 -6.509232092e-01 -6.509232092e-01 4.38 -6.308947295e-01 -6.308947295e-01 4.40 -6.113028242e-01 -6.113028242e-01 4.42 -5.921532107e-01 -5.921532107e-01 4.44 -5.734562453e-01 -5.734562453e-01 4.46 -5.552259513e-01 -5.552259513e-01 4.48 -5.374787328e-01 -5.374787328e-01 4.50 -5.202318562e-01 -5.202318562e-01 4.52 -5.035018296e-01 -5.035018296e-01 4.54 -4.873028393e-01 -4.873028393e-01 4.56 -4.716454066e-01 -4.716454066e-01 4.58 -4.565353967e-01 -4.565353967e-01 4.60 -4.419734601e-01 -4.419734601e-01 4.62 -4.279549249e-01 -4.279549249e-01 4.64 -4.144700955e-01 -4.144700955e-01 4.66 -4.015048699e-01 -4.015048699e-01 4.68 -3.890415656e-01 -3.890415656e-01 4.70 -3.770598386e-01 -3.770598386e-01 4.72 -3.655375987e-01 -3.655375987e-01 4.74 -3.544518472e-01 -3.544518472e-01 4.76 -3.437793889e-01 -3.437793889e-01 4.78 -3.334974000e-01 -3.334974000e-01 4.80 -3.235806710e-01 -3.235806710e-01 4.82 -3.140151395e-01 -3.140151395e-01 4.84 -3.047772815e-01 -3.047772815e-01 4.86 -2.958487241e-01 -2.958487241e-01 4.88 -2.872124195e-01 -2.872124195e-01 4.90 -2.788526013e-01 -2.788526013e-01 4.92 -2.707547077e-01 -2.707547077e-01 4.94 -2.629052844e-01 -2.629052844e-01 4.96 -2.552918780e-01 -2.552918780e-01 4.98 -2.479029277e-01 -2.479029277e-01 5.00 -2.407276598e-01 -2.407276598e-01 5.02 -2.337559897e-01 -2.337559897e-01 5.04 -2.269784334e-01 -2.269784334e-01 5.06 -2.203860296e-01 -2.203860296e-01 5.08 -2.139702743e-01 -2.139702743e-01 5.10 -2.077230684e-01 -2.077230684e-01 5.12 -2.016366787e-01 -2.016366787e-01 5.14 -1.957037133e-01 -1.957037133e-01 5.16 -1.899171122e-01 -1.899171122e-01 5.18 -1.842701527e-01 -1.842701527e-01 5.20 -1.787564719e-01 -1.787564719e-01 5.22 -1.733701047e-01 -1.733701047e-01 5.24 -1.681055372e-01 -1.681055372e-01 5.26 -1.629577751e-01 -1.629577751e-01 5.28 -1.579224223e-01 -1.579224223e-01 5.30 -1.529957669e-01 -1.529957669e-01 5.32 -1.481748670e-01 -1.481748670e-01 5.34 -1.434576279e-01 -1.434576279e-01 5.36 -1.388428606e-01 -1.388428606e-01 5.38 -1.343303095e-01 -1.343303095e-01 5.40 -1.299206390e-01 -1.299206390e-01 5.42 -1.256153686e-01 -1.256153686e-01 5.44 -1.214167512e-01 -1.214167512e-01 5.46 -1.173275949e-01 -1.173275949e-01 5.48 -1.133510344e-01 -1.133510344e-01 5.50 -1.094902657e-01 -1.094902657e-01 5.52 -1.057482659e-01 -1.057482659e-01 5.54 -1.021275183e-01 -1.021275183e-01 5.56 -9.862976960e-02 -9.862976960e-02 5.58 -9.525583808e-02 -9.525583808e-02 5.60 -9.200538641e-02 -9.200538641e-02 5.62 -8.887701989e-02 -8.887701989e-02 5.64 -8.586839848e-02 -8.586839848e-02 5.66 -8.297613322e-02 -8.297613322e-02 5.68 -8.019591615e-02 -8.019591615e-02 5.70 -7.752268043e-02 -7.752268043e-02 5.72 -7.495077316e-02 -7.495077316e-02 5.74 -7.247412615e-02 -7.247412615e-02 5.76 -7.008641375e-02 -7.008641375e-02 5.78 -6.778119039e-02 -6.778119039e-02 5.80 -6.555200444e-02 -6.555200444e-02 5.82 -6.339248795e-02 -6.339248795e-02 5.84 -6.129642392e-02 -6.129642392e-02 5.86 -5.925779450e-02 -5.925779450e-02 5.88 -5.727081409e-02 -5.727081409e-02 5.90 -5.532995169e-02 -5.532995169e-02 5.92 -5.342994666e-02 -5.342994666e-02 5.94 -5.156582201e-02 -5.156582201e-02 5.96 -4.973289838e-02 -4.973289838e-02 5.98 -4.792681190e-02 -4.792681190e-02 6.00 -4.614353802e-02 -4.614353802e-02