# 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 = FeNiPt2 # 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 2.713258205e+02 2.713258205e+02 1.30 2.514927119e+02 2.514927119e+02 1.32 2.330247976e+02 2.330247976e+02 1.34 2.158359513e+02 2.158359513e+02 1.36 1.998449287e+02 1.998449287e+02 1.38 1.849692993e+02 1.849692993e+02 1.40 1.711259943e+02 1.711259943e+02 1.42 1.582352154e+02 1.582352154e+02 1.44 1.462218407e+02 1.462218407e+02 1.46 1.350157108e+02 1.350157108e+02 1.48 1.245539940e+02 1.245539940e+02 1.50 1.147830886e+02 1.147830886e+02 1.52 1.056564377e+02 1.056564377e+02 1.54 9.712966132e+01 9.712966132e+01 1.56 8.915719892e+01 8.915719892e+01 1.58 8.169221929e+01 8.169221929e+01 1.60 7.468844118e+01 7.468844118e+01 1.62 6.810225945e+01 6.810225945e+01 1.64 6.189475859e+01 6.189475859e+01 1.66 5.603360970e+01 5.603360970e+01 1.68 5.049442609e+01 5.049442609e+01 1.70 4.526083782e+01 4.526083782e+01 1.72 4.035803537e+01 4.035803537e+01 1.74 3.588291209e+01 3.588291209e+01 1.76 3.181610872e+01 3.181610872e+01 1.78 2.812686549e+01 2.812686549e+01 1.80 2.478285447e+01 2.478285447e+01 1.82 2.175228725e+01 2.175228725e+01 1.84 1.900586997e+01 1.900586997e+01 1.86 1.651780151e+01 1.651780151e+01 1.88 1.426561705e+01 1.426561705e+01 1.90 1.222915794e+01 1.222915794e+01 1.92 1.038933878e+01 1.038933878e+01 1.94 8.727445162e+00 8.727445162e+00 1.96 7.225267337e+00 7.225267337e+00 1.98 5.865775897e+00 5.865775897e+00 2.00 4.633784294e+00 4.633784294e+00 2.02 3.516237033e+00 3.516237033e+00 2.04 2.502105679e+00 2.502105679e+00 2.06 1.582065215e+00 1.582065215e+00 2.08 7.481192729e-01 7.481192729e-01 2.10 -6.736813969e-03 -6.736813969e-03 2.12 -6.887839259e-01 -6.887839259e-01 2.14 -1.303767713e+00 -1.303767713e+00 2.16 -1.857006827e+00 -1.857006827e+00 2.18 -2.353434908e+00 -2.353434908e+00 2.20 -2.797603961e+00 -2.797603961e+00 2.22 -3.193677128e+00 -3.193677128e+00 2.24 -3.545427935e+00 -3.545427935e+00 2.26 -3.856252195e+00 -3.856252195e+00 2.28 -4.129194688e+00 -4.129194688e+00 2.30 -4.366992289e+00 -4.366992289e+00 2.32 -4.572132664e+00 -4.572132664e+00 2.34 -4.746921272e+00 -4.746921272e+00 2.36 -4.893544844e+00 -4.893544844e+00 2.38 -5.014120860e+00 -5.014120860e+00 2.40 -5.110729798e+00 -5.110729798e+00 2.42 -5.185811914e+00 -5.185811914e+00 2.44 -5.244065113e+00 -5.244065113e+00 2.46 -5.287195442e+00 -5.287195442e+00 2.48 -5.316351203e+00 -5.316351203e+00 2.50 -5.332825732e+00 -5.332825732e+00 2.52 -5.338014979e+00 -5.338014979e+00 2.54 -5.333354288e+00 -5.333354288e+00 2.56 -5.320235638e+00 -5.320235638e+00 2.58 -5.299919179e+00 -5.299919179e+00 2.60 -5.273457222e+00 -5.273457222e+00 2.62 -5.241659047e+00 -5.241659047e+00 2.64 -5.205097292e+00 -5.205097292e+00 2.66 -5.164147053e+00 -5.164147053e+00 2.68 -5.119042055e+00 -5.119042055e+00 2.70 -5.069930168e+00 -5.069930168e+00 2.72 -5.016915308e+00 -5.016915308e+00 2.74 -4.960019172e+00 -4.960019172e+00 2.76 -4.899186978e+00 -4.899186978e+00 2.78 -4.834393037e+00 -4.834393037e+00 2.80 -4.765638261e+00 -4.765638261e+00 2.82 -4.692952839e+00 -4.692952839e+00 2.84 -4.616400539e+00 -4.616400539e+00 2.86 -4.536090343e+00 -4.536090343e+00 2.88 -4.452194355e+00 -4.452194355e+00 2.90 -4.364968348e+00 -4.364968348e+00 2.92 -4.274769432e+00 -4.274769432e+00 2.94 -4.182064205e+00 -4.182064205e+00 2.96 -4.087418125e+00 -4.087418125e+00 2.98 -3.991430079e+00 -3.991430079e+00 3.00 -3.894708550e+00 -3.894708550e+00 3.02 -3.797851318e+00 -3.797851318e+00 3.04 -3.701392599e+00 -3.701392599e+00 3.06 -3.605762756e+00 -3.605762756e+00 3.08 -3.511268583e+00 -3.511268583e+00 3.10 -3.418095220e+00 -3.418095220e+00 3.12 -3.326325006e+00 -3.326325006e+00 3.14 -3.235965933e+00 -3.235965933e+00 3.16 -3.146983567e+00 -3.146983567e+00 3.18 -3.059430475e+00 -3.059430475e+00 3.20 -2.973507937e+00 -2.973507937e+00 3.22 -2.889387074e+00 -2.889387074e+00 3.24 -2.807207820e+00 -2.807207820e+00 3.26 -2.727089586e+00 -2.727089586e+00 3.28 -2.649134915e+00 -2.649134915e+00 3.30 -2.573428746e+00 -2.573428746e+00 3.32 -2.500035543e+00 -2.500035543e+00 3.34 -2.428996060e+00 -2.428996060e+00 3.36 -2.360324968e+00 -2.360324968e+00 3.38 -2.294010020e+00 -2.294010020e+00 3.40 -2.230012967e+00 -2.230012967e+00 3.42 -2.168272075e+00 -2.168272075e+00 3.44 -2.108705806e+00 -2.108705806e+00 3.46 -2.051217235e+00 -2.051217235e+00 3.48 -1.995698678e+00 -1.995698678e+00 3.50 -1.942036167e+00 -1.942036167e+00 3.52 -1.890113481e+00 -1.890113481e+00 3.54 -1.839815566e+00 -1.839815566e+00 3.56 -1.791031271e+00 -1.791031271e+00 3.58 -1.743655365e+00 -1.743655365e+00 3.60 -1.697589900e+00 -1.697589900e+00 3.62 -1.652744966e+00 -1.652744966e+00 3.64 -1.609038961e+00 -1.609038961e+00 3.66 -1.566398497e+00 -1.566398497e+00 3.68 -1.524758084e+00 -1.524758084e+00 3.70 -1.484059729e+00 -1.484059729e+00 3.72 -1.444252582e+00 -1.444252582e+00 3.74 -1.405292680e+00 -1.405292680e+00 3.76 -1.367142851e+00 -1.367142851e+00 3.78 -1.329772697e+00 -1.329772697e+00 3.80 -1.293158600e+00 -1.293158600e+00 3.82 -1.257283574e+00 -1.257283574e+00 3.84 -1.222136854e+00 -1.222136854e+00 3.86 -1.187713073e+00 -1.187713073e+00 3.88 -1.154011021e+00 -1.154011021e+00 3.90 -1.121032047e+00 -1.121032047e+00 3.92 -1.088778290e+00 -1.088778290e+00 3.94 -1.057251009e+00 -1.057251009e+00 3.96 -1.026449268e+00 -1.026449268e+00 3.98 -9.963692321e-01 -9.963692321e-01 4.00 -9.670041484e-01 -9.670041484e-01 4.02 -9.383449946e-01 -9.383449946e-01 4.04 -9.103816351e-01 -9.103816351e-01 4.06 -8.831042296e-01 -8.831042296e-01 4.08 -8.565046111e-01 -8.565046111e-01 4.10 -8.305773505e-01 -8.305773505e-01 4.12 -8.053203272e-01 -8.053203272e-01 4.14 -7.807345726e-01 -7.807345726e-01 4.16 -7.568234927e-01 -7.568234927e-01 4.18 -7.335914519e-01 -7.335914519e-01 4.20 -7.110419501e-01 -7.110419501e-01 4.22 -6.891756501e-01 -6.891756501e-01 4.24 -6.679885459e-01 -6.679885459e-01 4.26 -6.474705360e-01 -6.474705360e-01 4.28 -6.276045816e-01 -6.276045816e-01 4.30 -6.083665198e-01 -6.083665198e-01 4.32 -5.897254861e-01 -5.897254861e-01 4.34 -5.716448104e-01 -5.716448104e-01 4.36 -5.540831982e-01 -5.540831982e-01 4.38 -5.369960054e-01 -5.369960054e-01 4.40 -5.203364412e-01 -5.203364412e-01 4.42 -5.040565876e-01 -5.040565876e-01 4.44 -4.881081809e-01 -4.881081809e-01 4.46 -4.724431551e-01 -4.724431551e-01 4.48 -4.570139927e-01 -4.570139927e-01 4.50 -4.417739552e-01 -4.417739552e-01 4.52 -4.266772859e-01 -4.266772859e-01 4.54 -4.116794768e-01 -4.116794768e-01 4.56 -3.967376841e-01 -3.967376841e-01 4.58 -3.818113588e-01 -3.818113588e-01 4.60 -3.668631273e-01 -3.668631273e-01 4.62 -3.518599871e-01 -3.518599871e-01 4.64 -3.367746949e-01 -3.367746949e-01 4.66 -3.215873835e-01 -3.215873835e-01 4.68 -3.062878653e-01 -3.062878653e-01 4.70 -2.908773314e-01 -2.908773314e-01 4.72 -2.753670346e-01 -2.753670346e-01 4.74 -2.597824474e-01 -2.597824474e-01 4.76 -2.441638762e-01 -2.441638762e-01 4.78 -2.285662215e-01 -2.285662215e-01 4.80 -2.130579443e-01 -2.130579443e-01 4.82 -1.977191328e-01 -1.977191328e-01 4.84 -1.826386492e-01 -1.826386492e-01 4.86 -1.679104893e-01 -1.679104893e-01 4.88 -1.536295744e-01 -1.536295744e-01 4.90 -1.398873121e-01 -1.398873121e-01 4.92 -1.267673058e-01 -1.267673058e-01 4.94 -1.143415920e-01 -1.143415920e-01 4.96 -1.026677190e-01 -1.026677190e-01 4.98 -9.178687855e-02 -9.178687855e-02 5.00 -8.172316703e-02 -8.172316703e-02 5.02 -7.248392559e-02 -7.248392559e-02 5.04 -6.406099958e-02 -6.406099958e-02 5.06 -5.643268853e-02 -5.643268853e-02 5.08 -4.956612914e-02 -4.956612914e-02 5.10 -4.341986226e-02 -4.341986226e-02 5.12 -3.794637089e-02 -3.794637089e-02 5.14 -3.309442767e-02 -3.309442767e-02 5.16 -2.881114604e-02 -2.881114604e-02 5.18 -2.504368022e-02 -2.504368022e-02 5.20 -2.174055511e-02 -2.174055511e-02 5.22 -1.885265799e-02 -1.885265799e-02 5.24 -1.633391621e-02 -1.633391621e-02 5.26 -1.414155695e-02 -1.414155695e-02 5.28 -1.223613119e-02 -1.223613119e-02 5.30 -1.058280265e-02 -1.058280265e-02 5.32 -9.150200709e-03 -9.150200709e-03 5.34 -7.910225431e-03 -7.910225431e-03 5.36 -6.837901224e-03 -6.837901224e-03 5.38 -5.911168710e-03 -5.911168710e-03 5.40 -5.110643835e-03 -5.110643835e-03 5.42 -4.419364625e-03 -4.419364625e-03 5.44 -3.822539353e-03 -3.822539353e-03 5.46 -3.307305016e-03 -3.307305016e-03 5.48 -2.862501429e-03 -2.862501429e-03 5.50 -2.478463816e-03 -2.478463816e-03 5.52 -2.146834990e-03 -2.146834990e-03 5.54 -1.860397103e-03 -1.860397103e-03 5.56 -1.612922187e-03 -1.612922187e-03 5.58 -1.399040294e-03 -1.399040294e-03 5.60 -1.214123780e-03 -1.214123780e-03 5.62 -1.054186212e-03 -1.054186212e-03 5.64 -9.157943611e-04 -9.157943611e-04 5.66 -7.959918132e-04 -7.959918132e-04 5.68 -6.922328204e-04 -6.922328204e-04 5.70 -6.023251297e-04 -6.023251297e-04 5.72 -5.243806498e-04 -5.243806498e-04 5.74 -4.567729335e-04 -4.567729335e-04 5.76 -3.981005697e-04 -3.981005697e-04 5.78 -3.471556892e-04 -3.471556892e-04 5.80 -3.028968843e-04 -3.028968843e-04 5.82 -2.644259347e-04 -2.644259347e-04 5.84 -2.309678092e-04 -2.309678092e-04 5.86 -2.018534853e-04 -2.018534853e-04 5.88 -1.765051909e-04 -1.765051909e-04 5.90 -1.544237259e-04 -1.544237259e-04 5.92 -1.351775697e-04 -1.351775697e-04 5.94 -1.183935211e-04 -1.183935211e-04 5.96 -1.037486536e-04 -1.037486536e-04 5.98 -9.096340002e-05 -9.096340002e-05 6.00 -7.979560414e-05 -7.979560414e-05