# 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 = AgPdPt2 # 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 3.549461206e+02 3.549461206e+02 1.30 3.306592958e+02 3.306592958e+02 1.32 3.080004018e+02 3.080004018e+02 1.34 2.868475209e+02 2.868475209e+02 1.36 2.670881993e+02 2.670881993e+02 1.38 2.486195761e+02 2.486195761e+02 1.40 2.313505158e+02 2.313505158e+02 1.42 2.152027501e+02 2.152027501e+02 1.44 2.001065544e+02 2.001065544e+02 1.46 1.859944021e+02 1.859944021e+02 1.48 1.727988680e+02 1.727988680e+02 1.50 1.604541931e+02 1.604541931e+02 1.52 1.488973055e+02 1.488973055e+02 1.54 1.380675159e+02 1.380675159e+02 1.56 1.279067680e+02 1.279067680e+02 1.58 1.183610283e+02 1.183610283e+02 1.60 1.093816118e+02 1.093816118e+02 1.62 1.009254186e+02 1.009254186e+02 1.64 9.295430494e+01 9.295430494e+01 1.66 8.543451079e+01 8.543451079e+01 1.68 7.833665868e+01 7.833665868e+01 1.70 7.163591139e+01 7.163591139e+01 1.72 6.531146505e+01 6.531146505e+01 1.74 5.939587461e+01 5.939587461e+01 1.76 5.395717936e+01 5.395717936e+01 1.78 4.895932734e+01 4.895932734e+01 1.80 4.436383807e+01 4.436383807e+01 1.82 4.013503478e+01 4.013503478e+01 1.84 3.624163861e+01 3.624163861e+01 1.86 3.265733116e+01 3.265733116e+01 1.88 2.936015110e+01 2.936015110e+01 1.90 2.633104135e+01 2.633104135e+01 1.92 2.355218903e+01 2.355218903e+01 1.94 2.100587330e+01 2.100587330e+01 1.96 1.867418692e+01 1.867418692e+01 1.98 1.653944737e+01 1.653944737e+01 2.00 1.458481541e+01 1.458481541e+01 2.02 1.279473994e+01 1.279473994e+01 2.04 1.115512038e+01 1.115512038e+01 2.06 9.653262529e+00 9.653262529e+00 2.08 8.277737188e+00 8.277737188e+00 2.10 7.018209847e+00 7.018209847e+00 2.12 5.865275379e+00 5.865275379e+00 2.14 4.810321658e+00 4.810321658e+00 2.16 3.845440453e+00 3.845440453e+00 2.18 2.963386803e+00 2.963386803e+00 2.20 2.157568065e+00 2.157568065e+00 2.22 1.422036597e+00 1.422036597e+00 2.24 7.514678730e-01 7.514678730e-01 2.26 1.411187657e-01 1.411187657e-01 2.28 -4.132308643e-01 -4.132308643e-01 2.30 -9.153477768e-01 -9.153477768e-01 2.32 -1.368621587e+00 -1.368621587e+00 2.34 -1.776143923e+00 -1.776143923e+00 2.36 -2.140786837e+00 -2.140786837e+00 2.38 -2.465276121e+00 -2.465276121e+00 2.40 -2.752254858e+00 -2.752254858e+00 2.42 -3.004332873e+00 -3.004332873e+00 2.44 -3.224119106e+00 -3.224119106e+00 2.46 -3.414236324e+00 -3.414236324e+00 2.48 -3.577947073e+00 -3.577947073e+00 2.50 -3.720203847e+00 -3.720203847e+00 2.52 -3.843043111e+00 -3.843043111e+00 2.54 -3.948223511e+00 -3.948223511e+00 2.56 -4.037503399e+00 -4.037503399e+00 2.58 -4.112554728e+00 -4.112554728e+00 2.60 -4.174883564e+00 -4.174883564e+00 2.62 -4.225776509e+00 -4.225776509e+00 2.64 -4.266282830e+00 -4.266282830e+00 2.66 -4.297229127e+00 -4.297229127e+00 2.68 -4.319254897e+00 -4.319254897e+00 2.70 -4.332855706e+00 -4.332855706e+00 2.72 -4.338424295e+00 -4.338424295e+00 2.74 -4.336284684e+00 -4.336284684e+00 2.76 -4.326779242e+00 -4.326779242e+00 2.78 -4.310390625e+00 -4.310390625e+00 2.80 -4.287281825e+00 -4.287281825e+00 2.82 -4.257606211e+00 -4.257606211e+00 2.84 -4.221557051e+00 -4.221557051e+00 2.86 -4.179380458e+00 -4.179380458e+00 2.88 -4.131391835e+00 -4.131391835e+00 2.90 -4.077993171e+00 -4.077993171e+00 2.92 -4.019686580e+00 -4.019686580e+00 2.94 -3.957078385e+00 -3.957078385e+00 2.96 -3.890877064e+00 -3.890877064e+00 2.98 -3.821875884e+00 -3.821875884e+00 3.00 -3.750885047e+00 -3.750885047e+00 3.02 -3.678712179e+00 -3.678712179e+00 3.04 -3.606083150e+00 -3.606083150e+00 3.06 -3.533500853e+00 -3.533500853e+00 3.08 -3.461335360e+00 -3.461335360e+00 3.10 -3.389827892e+00 -3.389827892e+00 3.12 -3.319106249e+00 -3.319106249e+00 3.14 -3.249208748e+00 -3.249208748e+00 3.16 -3.180110399e+00 -3.180110399e+00 3.18 -3.111746984e+00 -3.111746984e+00 3.20 -3.044034703e+00 -3.044034703e+00 3.22 -2.976885675e+00 -2.976885675e+00 3.24 -2.910220682e+00 -2.910220682e+00 3.26 -2.843972404e+00 -2.843972404e+00 3.28 -2.778088372e+00 -2.778088372e+00 3.30 -2.712538474e+00 -2.712538474e+00 3.32 -2.647380972e+00 -2.647380972e+00 3.34 -2.582726323e+00 -2.582726323e+00 3.36 -2.518678341e+00 -2.518678341e+00 3.38 -2.455335190e+00 -2.455335190e+00 3.40 -2.392790350e+00 -2.392790350e+00 3.42 -2.331132517e+00 -2.331132517e+00 3.44 -2.270444808e+00 -2.270444808e+00 3.46 -2.210803613e+00 -2.210803613e+00 3.48 -2.152277326e+00 -2.152277326e+00 3.50 -2.094925170e+00 -2.094925170e+00 3.52 -2.038796216e+00 -2.038796216e+00 3.54 -1.983928671e+00 -1.983928671e+00 3.56 -1.930349428e+00 -1.930349428e+00 3.58 -1.878073886e+00 -1.878073886e+00 3.60 -1.827105999e+00 -1.827105999e+00 3.62 -1.777438540e+00 -1.777438540e+00 3.64 -1.729053569e+00 -1.729053569e+00 3.66 -1.681923100e+00 -1.681923100e+00 3.68 -1.636009977e+00 -1.636009977e+00 3.70 -1.591268965e+00 -1.591268965e+00 3.72 -1.547648056e+00 -1.547648056e+00 3.74 -1.505089982e+00 -1.505089982e+00 3.76 -1.463533882e+00 -1.463533882e+00 3.78 -1.422917075e+00 -1.422917075e+00 3.80 -1.383176856e+00 -1.383176856e+00 3.82 -1.344252198e+00 -1.344252198e+00 3.84 -1.306085308e+00 -1.306085308e+00 3.86 -1.268622923e+00 -1.268622923e+00 3.88 -1.231817339e+00 -1.231817339e+00 3.90 -1.195627153e+00 -1.195627153e+00 3.92 -1.160017770e+00 -1.160017770e+00 3.94 -1.124961745e+00 -1.124961745e+00 3.96 -1.090439024e+00 -1.090439024e+00 3.98 -1.056437199e+00 -1.056437199e+00 4.00 -1.022951781e+00 -1.022951781e+00 4.02 -9.899865210e-01 -9.899865210e-01 4.04 -9.575537000e-01 -9.575537000e-01 4.06 -9.256742759e-01 -9.256742759e-01 4.08 -8.943777314e-01 -8.943777314e-01 4.10 -8.637014372e-01 -8.637014372e-01 4.12 -8.336894209e-01 -8.336894209e-01 4.14 -8.043903657e-01 -8.043903657e-01 4.16 -7.758549997e-01 -7.758549997e-01 4.18 -7.481329316e-01 -7.481329316e-01 4.20 -7.212692501e-01 -7.212692501e-01 4.22 -6.953012366e-01 -6.953012366e-01 4.24 -6.702555598e-01 -6.702555598e-01 4.26 -6.461462594e-01 -6.461462594e-01 4.28 -6.229736998e-01 -6.229736998e-01 4.30 -6.007245234e-01 -6.007245234e-01 4.32 -5.793724830e-01 -5.793724830e-01 4.34 -5.588799324e-01 -5.588799324e-01 4.36 -5.391997070e-01 -5.391997070e-01 4.38 -5.202771435e-01 -5.202771435e-01 4.40 -5.020520419e-01 -5.020520419e-01 4.42 -4.844604432e-01 -4.844604432e-01 4.44 -4.674361698e-01 -4.674361698e-01 4.46 -4.509121280e-01 -4.509121280e-01 4.48 -4.348214057e-01 -4.348214057e-01 4.50 -4.190982183e-01 -4.190982183e-01 4.52 -4.036787593e-01 -4.036787593e-01 4.54 -3.885020118e-01 -3.885020118e-01 4.56 -3.735105703e-01 -3.735105703e-01 4.58 -3.586515150e-01 -3.586515150e-01 4.60 -3.438773707e-01 -3.438773707e-01 4.62 -3.291471662e-01 -3.291471662e-01 4.64 -3.144275932e-01 -3.144275932e-01 4.66 -2.996942382e-01 -2.996942382e-01 4.68 -2.849328327e-01 -2.849328327e-01 4.70 -2.701404361e-01 -2.701404361e-01 4.72 -2.553264347e-01 -2.553264347e-01 4.74 -2.405132199e-01 -2.405132199e-01 4.76 -2.257363918e-01 -2.257363918e-01 4.78 -2.110443493e-01 -2.110443493e-01 4.80 -1.964971532e-01 -1.964971532e-01 4.82 -1.821646220e-01 -1.821646220e-01 4.84 -1.681236640e-01 -1.681236640e-01 4.86 -1.544550030e-01 -1.544550030e-01 4.88 -1.412394850e-01 -1.412394850e-01 4.90 -1.285542604e-01 -1.285542604e-01 4.92 -1.164691595e-01 -1.164691595e-01 4.94 -1.050435662e-01 -1.050435662e-01 4.96 -9.432404254e-02 -9.432404254e-02 4.98 -8.434286161e-02 -8.434286161e-02 5.00 -7.511749805e-02 -7.511749805e-02 5.02 -6.665101412e-02 -6.665101412e-02 5.04 -5.893322971e-02 -5.893322971e-02 5.06 -5.194243231e-02 -5.194243231e-02 5.08 -4.564743426e-02 -4.564743426e-02 5.10 -4.000977904e-02 -4.000977904e-02 5.12 -3.498591666e-02 -3.498591666e-02 5.14 -3.053012643e-02 -3.053012643e-02 5.16 -2.659444654e-02 -2.659444654e-02 5.18 -2.313027789e-02 -2.313027789e-02 5.20 -2.009060132e-02 -2.009060132e-02 5.22 -1.743072453e-02 -1.743072453e-02 5.24 -1.510879968e-02 -1.510879968e-02 5.26 -1.308604088e-02 -1.308604088e-02 5.28 -1.132675154e-02 -1.132675154e-02 5.30 -9.799138810e-03 -9.799138810e-03 5.32 -8.474560284e-03 -8.474560284e-03 5.34 -7.327353921e-03 -7.327353921e-03 5.36 -6.334690337e-03 -6.334690337e-03 5.38 -5.476379297e-03 -5.476379297e-03 5.40 -4.734652033e-03 -4.734652033e-03 5.42 -4.093934862e-03 -4.093934862e-03 5.44 -3.540624802e-03 -3.540624802e-03 5.46 -3.062874263e-03 -3.062874263e-03 5.48 -2.650389212e-03 -2.650389212e-03 5.50 -2.294243228e-03 -2.294243228e-03 5.52 -1.986708501e-03 -1.986708501e-03 5.54 -1.721103866e-03 -1.721103866e-03 5.56 -1.491659302e-03 -1.491659302e-03 5.58 -1.293395969e-03 -1.293395969e-03 5.60 -1.122020587e-03 -1.122020587e-03 5.62 -9.738328924e-04 -9.738328924e-04 5.64 -8.456448605e-04 -8.456448605e-04 5.66 -7.347104209e-04 -7.347104209e-04 5.68 -6.386644735e-04 -6.386644735e-04 5.70 -5.554700845e-04 -5.554700845e-04 5.72 -4.833728499e-04 -4.833728499e-04 5.74 -4.208615112e-04 -4.208615112e-04 5.76 -3.666340077e-04 -3.666340077e-04 5.78 -3.195682427e-04 -3.195682427e-04 5.80 -2.786969270e-04 -2.786969270e-04 5.82 -2.431859448e-04 -2.431859448e-04 5.84 -2.123157553e-04 -2.123157553e-04 5.86 -1.854654085e-04 -1.854654085e-04 5.88 -1.620988114e-04 -1.620988114e-04 5.90 -1.417529259e-04 -1.417529259e-04 5.92 -1.240276298e-04 -1.240276298e-04 5.94 -1.085770029e-04 -1.085770029e-04 5.96 -9.510183851e-05 -9.510183851e-05 5.98 -8.334320539e-05 -8.334320539e-05 6.00 -7.307691276e-05 -7.307691276e-05