# 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 = Pt2TaTi # 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 4.328003376e+02 4.328003376e+02 1.30 4.044144403e+02 4.044144403e+02 1.32 3.779598064e+02 3.779598064e+02 1.34 3.533023132e+02 3.533023132e+02 1.36 3.303059939e+02 3.303059939e+02 1.38 3.088363444e+02 3.088363444e+02 1.40 2.887677530e+02 2.887677530e+02 1.42 2.699888142e+02 2.699888142e+02 1.44 2.524008380e+02 2.524008380e+02 1.46 2.359139518e+02 2.359139518e+02 1.48 2.204471637e+02 2.204471637e+02 1.50 2.059308435e+02 2.059308435e+02 1.52 1.923062981e+02 1.923062981e+02 1.54 1.795214420e+02 1.795214420e+02 1.56 1.675256295e+02 1.675256295e+02 1.58 1.562664760e+02 1.562664760e+02 1.60 1.456894851e+02 1.456894851e+02 1.62 1.357398401e+02 1.357398401e+02 1.64 1.263652094e+02 1.263652094e+02 1.66 1.175185461e+02 1.175185461e+02 1.68 1.091601579e+02 1.091601579e+02 1.70 1.012584110e+02 1.012584110e+02 1.72 9.378849699e+01 9.378849699e+01 1.74 8.672931309e+01 8.672931309e+01 1.76 8.005974964e+01 8.005974964e+01 1.78 7.375635085e+01 7.375635085e+01 1.80 6.779339308e+01 6.779339308e+01 1.82 6.214481060e+01 6.214481060e+01 1.84 5.678665853e+01 5.678665853e+01 1.86 5.170160281e+01 5.170160281e+01 1.88 4.687565629e+01 4.687565629e+01 1.90 4.229700105e+01 4.229700105e+01 1.92 3.800882885e+01 3.800882885e+01 1.94 3.406446153e+01 3.406446153e+01 1.96 3.044201075e+01 3.044201075e+01 1.98 2.711963638e+01 2.711963638e+01 2.00 2.407622848e+01 2.407622848e+01 2.02 2.129153684e+01 2.129153684e+01 2.04 1.874609204e+01 1.874609204e+01 2.06 1.642109976e+01 1.642109976e+01 2.08 1.429845892e+01 1.429845892e+01 2.10 1.236090980e+01 1.236090980e+01 2.12 1.059221974e+01 1.059221974e+01 2.14 8.977325172e+00 8.977325172e+00 2.16 7.502409174e+00 7.502409174e+00 2.18 6.154932579e+00 6.154932579e+00 2.20 4.923631301e+00 4.923631301e+00 2.22 3.798475530e+00 3.798475530e+00 2.24 2.770586187e+00 2.770586187e+00 2.26 1.832115049e+00 1.832115049e+00 2.28 9.761034861e-01 9.761034861e-01 2.30 1.963356171e-01 1.963356171e-01 2.32 -5.128011035e-01 -5.128011035e-01 2.34 -1.156435871e+00 -1.156435871e+00 2.36 -1.739304745e+00 -1.739304745e+00 2.38 -2.265811068e+00 -2.265811068e+00 2.40 -2.740066548e+00 -2.740066548e+00 2.42 -3.165928671e+00 -3.165928671e+00 2.44 -3.547044009e+00 -3.547044009e+00 2.46 -3.886896359e+00 -3.886896359e+00 2.48 -4.188849954e+00 -4.188849954e+00 2.50 -4.456175936e+00 -4.456175936e+00 2.52 -4.692052401e+00 -4.692052401e+00 2.54 -4.899533466e+00 -4.899533466e+00 2.56 -5.081479033e+00 -5.081479033e+00 2.58 -5.240413183e+00 -5.240413183e+00 2.60 -5.378718505e+00 -5.378718505e+00 2.62 -5.498453285e+00 -5.498453285e+00 2.64 -5.601315624e+00 -5.601315624e+00 2.66 -5.688691249e+00 -5.688691249e+00 2.68 -5.761719028e+00 -5.761719028e+00 2.70 -5.821356670e+00 -5.821356670e+00 2.72 -5.868765388e+00 -5.868765388e+00 2.74 -5.906549515e+00 -5.906549515e+00 2.76 -5.935074059e+00 -5.935074059e+00 2.78 -5.954344158e+00 -5.954344158e+00 2.80 -5.964433020e+00 -5.964433020e+00 2.82 -5.965479562e+00 -5.965479562e+00 2.84 -5.957704143e+00 -5.957704143e+00 2.86 -5.941312394e+00 -5.941312394e+00 2.88 -5.916565907e+00 -5.916565907e+00 2.90 -5.883802534e+00 -5.883802534e+00 2.92 -5.843445386e+00 -5.843445386e+00 2.94 -5.796008335e+00 -5.796008335e+00 2.96 -5.742093549e+00 -5.742093549e+00 2.98 -5.682377667e+00 -5.682377667e+00 3.00 -5.617584705e+00 -5.617584705e+00 3.02 -5.548410573e+00 -5.548410573e+00 3.04 -5.475471334e+00 -5.475471334e+00 3.06 -5.399324232e+00 -5.399324232e+00 3.08 -5.320442356e+00 -5.320442356e+00 3.10 -5.239199448e+00 -5.239199448e+00 3.12 -5.155869548e+00 -5.155869548e+00 3.14 -5.070639353e+00 -5.070639353e+00 3.16 -4.983627978e+00 -4.983627978e+00 3.18 -4.894910218e+00 -4.894910218e+00 3.20 -4.804538751e+00 -4.804538751e+00 3.22 -4.712563189e+00 -4.712563189e+00 3.24 -4.619044848e+00 -4.619044848e+00 3.26 -4.524066971e+00 -4.524066971e+00 3.28 -4.427740541e+00 -4.427740541e+00 3.30 -4.330205969e+00 -4.330205969e+00 3.32 -4.231631023e+00 -4.231631023e+00 3.34 -4.132205550e+00 -4.132205550e+00 3.36 -4.032133767e+00 -4.032133767e+00 3.38 -3.931625136e+00 -3.931625136e+00 3.40 -3.830885002e+00 -3.830885002e+00 3.42 -3.730106186e+00 -3.730106186e+00 3.44 -3.629462295e+00 -3.629462295e+00 3.46 -3.529103534e+00 -3.529103534e+00 3.48 -3.429154928e+00 -3.429154928e+00 3.50 -3.329716716e+00 -3.329716716e+00 3.52 -3.230866304e+00 -3.230866304e+00 3.54 -3.132661078e+00 -3.132661078e+00 3.56 -3.035141518e+00 -3.035141518e+00 3.58 -2.938334330e+00 -2.938334330e+00 3.60 -2.842281528e+00 -2.842281528e+00 3.62 -2.747153507e+00 -2.747153507e+00 3.64 -2.653148332e+00 -2.653148332e+00 3.66 -2.560447723e+00 -2.560447723e+00 3.68 -2.469222988e+00 -2.469222988e+00 3.70 -2.379640092e+00 -2.379640092e+00 3.72 -2.291863271e+00 -2.291863271e+00 3.74 -2.206056703e+00 -2.206056703e+00 3.76 -2.122383947e+00 -2.122383947e+00 3.78 -2.041005169e+00 -2.041005169e+00 3.80 -1.962072495e+00 -1.962072495e+00 3.82 -1.885724097e+00 -1.885724097e+00 3.84 -1.812077806e+00 -1.812077806e+00 3.86 -1.741225139e+00 -1.741225139e+00 3.88 -1.673226513e+00 -1.673226513e+00 3.90 -1.608108295e+00 -1.608108295e+00 3.92 -1.545862004e+00 -1.545862004e+00 3.94 -1.486445895e+00 -1.486445895e+00 3.96 -1.429788264e+00 -1.429788264e+00 3.98 -1.375792654e+00 -1.375792654e+00 4.00 -1.324343930e+00 -1.324343930e+00 4.02 -1.275314817e+00 -1.275314817e+00 4.04 -1.228572319e+00 -1.228572319e+00 4.06 -1.183983520e+00 -1.183983520e+00 4.08 -1.141420412e+00 -1.141420412e+00 4.10 -1.100763427e+00 -1.100763427e+00 4.12 -1.061903817e+00 -1.061903817e+00 4.14 -1.024744132e+00 -1.024744132e+00 4.16 -9.891978839e-01 -9.891978839e-01 4.18 -9.551878360e-01 -9.551878360e-01 4.20 -9.226435608e-01 -9.226435608e-01 4.22 -8.914986134e-01 -8.914986134e-01 4.24 -8.616877354e-01 -8.616877354e-01 4.26 -8.331444682e-01 -8.331444682e-01 4.28 -8.057994469e-01 -8.057994469e-01 4.30 -7.795795048e-01 -7.795795048e-01 4.32 -7.544075698e-01 -7.544075698e-01 4.34 -7.302032114e-01 -7.302032114e-01 4.36 -7.068836279e-01 -7.068836279e-01 4.38 -6.843648450e-01 -6.843648450e-01 4.40 -6.625629257e-01 -6.625629257e-01 4.42 -6.413950479e-01 -6.413950479e-01 4.44 -6.207803726e-01 -6.207803726e-01 4.46 -6.006406861e-01 -6.006406861e-01 4.48 -5.809008468e-01 -5.809008468e-01 4.50 -5.614890980e-01 -5.614890980e-01 4.52 -5.423373259e-01 -5.423373259e-01 4.54 -5.233813447e-01 -5.233813447e-01 4.56 -5.045612856e-01 -5.045612856e-01 4.58 -4.858221570e-01 -4.858221570e-01 4.60 -4.671146225e-01 -4.671146225e-01 4.62 -4.483960236e-01 -4.483960236e-01 4.64 -4.296316455e-01 -4.296316455e-01 4.66 -4.107961895e-01 -4.107961895e-01 4.68 -3.918753787e-01 -3.918753787e-01 4.70 -3.728675805e-01 -3.728675805e-01 4.72 -3.537852891e-01 -3.537852891e-01 4.74 -3.346562774e-01 -3.346562774e-01 4.76 -3.155242096e-01 -3.155242096e-01 4.78 -2.964485138e-01 -2.964485138e-01 4.80 -2.775033086e-01 -2.775033086e-01 4.82 -2.587755477e-01 -2.587755477e-01 4.84 -2.403617466e-01 -2.403617466e-01 4.86 -2.223643188e-01 -2.223643188e-01 4.88 -2.048870873e-01 -2.048870873e-01 4.90 -1.880306067e-01 -1.880306067e-01 4.92 -1.718876420e-01 -1.718876420e-01 4.94 -1.565391906e-01 -1.565391906e-01 4.96 -1.420513626e-01 -1.420513626e-01 4.98 -1.284733225e-01 -1.284733225e-01 5.00 -1.158363601e-01 -1.158363601e-01 5.02 -1.041540339e-01 -1.041540339e-01 5.04 -9.342322785e-02 -9.342322785e-02 5.06 -8.362590352e-02 -8.362590352e-02 5.08 -7.473130836e-02 -7.473130836e-02 5.10 -6.669841611e-02 -6.669841611e-02 5.12 -5.947840802e-02 -5.947840802e-02 5.14 -5.301704915e-02 -5.301704915e-02 5.16 -4.725685590e-02 -4.725685590e-02 5.18 -4.213898588e-02 -4.213898588e-02 5.20 -3.760483549e-02 -3.760483549e-02 5.22 -3.359732535e-02 -3.359732535e-02 5.24 -3.006187909e-02 -3.006187909e-02 5.26 -2.694704862e-02 -2.694704862e-02 5.28 -2.420489569e-02 -2.420489569e-02 5.30 -2.179165920e-02 -2.179165920e-02 5.32 -1.966751170e-02 -1.966751170e-02 5.34 -1.779677971e-02 -1.779677971e-02 5.36 -1.614743894e-02 -1.614743894e-02 5.38 -1.469095023e-02 -1.469095023e-02 5.40 -1.340203995e-02 -1.340203995e-02 5.42 -1.225844258e-02 -1.225844258e-02 5.44 -1.124062738e-02 -1.124062738e-02 5.46 -1.033152486e-02 -1.033152486e-02 5.48 -9.516263818e-03 -9.516263818e-03 5.50 -8.781925563e-03 -8.781925563e-03 5.52 -8.117319199e-03 -8.117319199e-03 5.54 -7.512778419e-03 -7.512778419e-03 5.56 -6.959986033e-03 -6.959986033e-03 5.58 -6.451816716e-03 -6.451816716e-03 5.60 -5.982200106e-03 -5.982200106e-03 5.62 -5.546002834e-03 -5.546002834e-03 5.64 -5.138925917e-03 -5.138925917e-03 5.66 -4.757414521e-03 -4.757414521e-03 5.68 -4.398577037e-03 -4.398577037e-03 5.70 -4.060110462e-03 -4.060110462e-03 5.72 -3.740229404e-03 -3.740229404e-03 5.74 -3.437596517e-03 -3.437596517e-03 5.76 -3.151261179e-03 -3.151261179e-03 5.78 -2.881029619e-03 -2.881029619e-03 5.80 -2.626580642e-03 -2.626580642e-03 5.82 -2.387450575e-03 -2.387450575e-03 5.84 -2.163308115e-03 -2.163308115e-03 5.86 -1.953898988e-03 -1.953898988e-03 5.88 -1.758996694e-03 -1.758996694e-03 5.90 -1.578361068e-03 -1.578361068e-03 5.92 -1.411706000e-03 -1.411706000e-03 5.94 -1.258677076e-03 -1.258677076e-03 5.96 -1.118839172e-03 -1.118839172e-03 5.98 -9.916732927e-04 -9.916732927e-04 6.00 -8.765813175e-04 -8.765813175e-04