# 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 = PtW2Zr # 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 4.992520440e+02 4.992520440e+02 1.30 4.649287201e+02 4.649287201e+02 1.32 4.330137718e+02 4.330137718e+02 1.34 4.033153571e+02 4.033153571e+02 1.36 3.756734021e+02 3.756734021e+02 1.38 3.499469717e+02 3.499469717e+02 1.40 3.260036675e+02 3.260036675e+02 1.42 3.037146383e+02 3.037146383e+02 1.44 2.829541256e+02 2.829541256e+02 1.46 2.636023263e+02 2.636023263e+02 1.48 2.455491726e+02 2.455491726e+02 1.50 2.286962200e+02 2.286962200e+02 1.52 2.129555740e+02 2.129555740e+02 1.54 1.982475861e+02 1.982475861e+02 1.56 1.844986031e+02 1.844986031e+02 1.58 1.716397861e+02 1.716397861e+02 1.60 1.596065717e+02 1.596065717e+02 1.62 1.483384536e+02 1.483384536e+02 1.64 1.377788495e+02 1.377788495e+02 1.66 1.278752669e+02 1.278752669e+02 1.68 1.185797063e+02 1.185797063e+02 1.70 1.098489745e+02 1.098489745e+02 1.72 1.016450118e+02 1.016450118e+02 1.74 9.393492295e+01 9.393492295e+01 1.76 8.669064717e+01 8.669064717e+01 1.78 7.988839932e+01 7.988839932e+01 1.80 7.350797676e+01 7.350797676e+01 1.82 6.753181907e+01 6.753181907e+01 1.84 6.194352196e+01 6.194352196e+01 1.86 5.672615473e+01 5.672615473e+01 1.88 5.186093861e+01 5.186093861e+01 1.90 4.732691578e+01 4.732691578e+01 1.92 4.310144571e+01 4.310144571e+01 1.94 3.916132832e+01 3.916132832e+01 1.96 3.548384529e+01 3.548384529e+01 1.98 3.204822837e+01 3.204822837e+01 2.00 2.883588916e+01 2.883588916e+01 2.02 2.583096015e+01 2.583096015e+01 2.04 2.305214978e+01 2.305214978e+01 2.06 2.049315012e+01 2.049315012e+01 2.08 1.813519014e+01 1.813519014e+01 2.10 1.596123023e+01 1.596123023e+01 2.12 1.395570597e+01 1.395570597e+01 2.14 1.210436086e+01 1.210436086e+01 2.16 1.039420715e+01 1.039420715e+01 2.18 8.813531528e+00 8.813531528e+00 2.20 7.351896901e+00 7.351896901e+00 2.22 6.000080874e+00 6.000080874e+00 2.24 4.749964778e+00 4.749964778e+00 2.26 3.594384415e+00 3.594384415e+00 2.28 2.526996672e+00 2.526996672e+00 2.30 1.542107651e+00 1.542107651e+00 2.32 6.345524203e-01 6.345524203e-01 2.34 -2.003998727e-01 -2.003998727e-01 2.36 -9.671548219e-01 -9.671548219e-01 2.38 -1.669858099e+00 -1.669858099e+00 2.40 -2.312446958e+00 -2.312446958e+00 2.42 -2.898692728e+00 -2.898692728e+00 2.44 -3.432230636e+00 -3.432230636e+00 2.46 -3.916593403e+00 -3.916593403e+00 2.48 -4.355233610e+00 -4.355233610e+00 2.50 -4.751529946e+00 -4.751529946e+00 2.52 -5.108766546e+00 -5.108766546e+00 2.54 -5.430083171e+00 -5.430083171e+00 2.56 -5.718406712e+00 -5.718406712e+00 2.58 -5.976385007e+00 -5.976385007e+00 2.60 -6.206345418e+00 -6.206345418e+00 2.62 -6.410289017e+00 -6.410289017e+00 2.64 -6.589934366e+00 -6.589934366e+00 2.66 -6.746758669e+00 -6.746758669e+00 2.68 -6.882051045e+00 -6.882051045e+00 2.70 -6.996880765e+00 -6.996880765e+00 2.72 -7.092487419e+00 -7.092487419e+00 2.74 -7.170103775e+00 -7.170103775e+00 2.76 -7.230923860e+00 -7.230923860e+00 2.78 -7.276108370e+00 -7.276108370e+00 2.80 -7.306790180e+00 -7.306790180e+00 2.82 -7.324068740e+00 -7.324068740e+00 2.84 -7.329198133e+00 -7.329198133e+00 2.86 -7.324144245e+00 -7.324144245e+00 2.88 -7.309222073e+00 -7.309222073e+00 2.90 -7.284458674e+00 -7.284458674e+00 2.92 -7.250014342e+00 -7.250014342e+00 2.94 -7.206179579e+00 -7.206179579e+00 2.96 -7.153369085e+00 -7.153369085e+00 2.98 -7.092108560e+00 -7.092108560e+00 3.00 -7.022983896e+00 -7.022983896e+00 3.02 -6.946521861e+00 -6.946521861e+00 3.04 -6.863258088e+00 -6.863258088e+00 3.06 -6.773740630e+00 -6.773740630e+00 3.08 -6.678479696e+00 -6.678479696e+00 3.10 -6.577930555e+00 -6.577930555e+00 3.12 -6.472472819e+00 -6.472472819e+00 3.14 -6.362418636e+00 -6.362418636e+00 3.16 -6.247998025e+00 -6.247998025e+00 3.18 -6.129384341e+00 -6.129384341e+00 3.20 -6.006706293e+00 -6.006706293e+00 3.22 -5.880066377e+00 -5.880066377e+00 3.24 -5.749560784e+00 -5.749560784e+00 3.26 -5.615299612e+00 -5.615299612e+00 3.28 -5.477426001e+00 -5.477426001e+00 3.30 -5.336132558e+00 -5.336132558e+00 3.32 -5.191673792e+00 -5.191673792e+00 3.34 -5.044374064e+00 -5.044374064e+00 3.36 -4.894631516e+00 -4.894631516e+00 3.38 -4.742918889e+00 -4.742918889e+00 3.40 -4.589781011e+00 -4.589781011e+00 3.42 -4.435833884e+00 -4.435833884e+00 3.44 -4.281750646e+00 -4.281750646e+00 3.46 -4.128251906e+00 -4.128251906e+00 3.48 -3.976085126e+00 -3.976085126e+00 3.50 -3.826070418e+00 -3.826070418e+00 3.52 -3.679314293e+00 -3.679314293e+00 3.54 -3.536836192e+00 -3.536836192e+00 3.56 -3.399424007e+00 -3.399424007e+00 3.58 -3.267637005e+00 -3.267637005e+00 3.60 -3.141820172e+00 -3.141820172e+00 3.62 -3.022127603e+00 -3.022127603e+00 3.64 -2.908551829e+00 -2.908551829e+00 3.66 -2.800955894e+00 -2.800955894e+00 3.68 -2.699105351e+00 -2.699105351e+00 3.70 -2.602698092e+00 -2.602698092e+00 3.72 -2.511390609e+00 -2.511390609e+00 3.74 -2.424820046e+00 -2.424820046e+00 3.76 -2.342621849e+00 -2.342621849e+00 3.78 -2.264443194e+00 -2.264443194e+00 3.80 -2.189952506e+00 -2.189952506e+00 3.82 -2.118845435e+00 -2.118845435e+00 3.84 -2.050847647e+00 -2.050847647e+00 3.86 -1.985714850e+00 -1.985714850e+00 3.88 -1.923230527e+00 -1.923230527e+00 3.90 -1.863202047e+00 -1.863202047e+00 3.92 -1.805455029e+00 -1.805455029e+00 3.94 -1.749832590e+00 -1.749832590e+00 3.96 -1.696185283e+00 -1.696185283e+00 3.98 -1.644373070e+00 -1.644373070e+00 4.00 -1.594263248e+00 -1.594263248e+00 4.02 -1.545731009e+00 -1.545731009e+00 4.04 -1.498661087e+00 -1.498661087e+00 4.06 -1.452949976e+00 -1.452949976e+00 4.08 -1.408508237e+00 -1.408508237e+00 4.10 -1.365257026e+00 -1.365257026e+00 4.12 -1.323152060e+00 -1.323152060e+00 4.14 -1.282148003e+00 -1.282148003e+00 4.16 -1.242222878e+00 -1.242222878e+00 4.18 -1.203369308e+00 -1.203369308e+00 4.20 -1.165591409e+00 -1.165591409e+00 4.22 -1.128900843e+00 -1.128900843e+00 4.24 -1.093312415e+00 -1.093312415e+00 4.26 -1.058839652e+00 -1.058839652e+00 4.28 -1.025490844e+00 -1.025490844e+00 4.30 -9.932659286e-01 -9.932659286e-01 4.32 -9.621544751e-01 -9.621544751e-01 4.34 -9.321348414e-01 -9.321348414e-01 4.36 -9.031744115e-01 -9.031744115e-01 4.38 -8.752306953e-01 -8.752306953e-01 4.40 -8.482530069e-01 -8.482530069e-01 4.42 -8.221844341e-01 -8.221844341e-01 4.44 -7.969638520e-01 -7.969638520e-01 4.46 -7.725278037e-01 -7.725278037e-01 4.48 -7.488121405e-01 -7.488121405e-01 4.50 -7.257533894e-01 -7.257533894e-01 4.52 -7.032898506e-01 -7.032898506e-01 4.54 -6.813622186e-01 -6.813622186e-01 4.56 -6.599149760e-01 -6.599149760e-01 4.58 -6.388967473e-01 -6.388967473e-01 4.60 -6.182607024e-01 -6.182607024e-01 4.62 -5.979652634e-01 -5.979652634e-01 4.64 -5.779748304e-01 -5.779748304e-01 4.66 -5.582605426e-01 -5.582605426e-01 4.68 -5.388010578e-01 -5.388010578e-01 4.70 -5.195833016e-01 -5.195833016e-01 4.72 -5.006031151e-01 -5.006031151e-01 4.74 -4.818657019e-01 -4.818657019e-01 4.76 -4.633857691e-01 -4.633857691e-01 4.78 -4.451872569e-01 -4.451872569e-01 4.80 -4.272993955e-01 -4.272993955e-01 4.82 -4.097686573e-01 -4.097686573e-01 4.84 -3.926361477e-01 -3.926361477e-01 4.86 -3.759498872e-01 -3.759498872e-01 4.88 -3.597584252e-01 -3.597584252e-01 4.90 -3.441081966e-01 -3.441081966e-01 4.92 -3.290410067e-01 -3.290410067e-01 4.94 -3.145918604e-01 -3.145918604e-01 4.96 -3.007873092e-01 -3.007873092e-01 4.98 -2.876444268e-01 -2.876444268e-01 5.00 -2.751704452e-01 -2.751704452e-01 5.02 -2.633630140e-01 -2.633630140e-01 5.04 -2.522109806e-01 -2.522109806e-01 5.06 -2.416955573e-01 -2.416955573e-01 5.08 -2.317917245e-01 -2.317917245e-01 5.10 -2.224697263e-01 -2.224697263e-01 5.12 -2.136965410e-01 -2.136965410e-01 5.14 -2.054372336e-01 -2.054372336e-01 5.16 -1.976561341e-01 -1.976561341e-01 5.18 -1.903178124e-01 -1.903178124e-01 5.20 -1.833878441e-01 -1.833878441e-01 5.22 -1.768333786e-01 -1.768333786e-01 5.24 -1.706235315e-01 -1.706235315e-01 5.26 -1.647296297e-01 -1.647296297e-01 5.28 -1.591253349e-01 -1.591253349e-01 5.30 -1.537866749e-01 -1.537866749e-01 5.32 -1.486920039e-01 -1.486920039e-01 5.34 -1.438219117e-01 -1.438219117e-01 5.36 -1.391590973e-01 -1.391590973e-01 5.38 -1.346882164e-01 -1.346882164e-01 5.40 -1.303957136e-01 -1.303957136e-01 5.42 -1.262696420e-01 -1.262696420e-01 5.44 -1.222994785e-01 -1.222994785e-01 5.46 -1.184759335e-01 -1.184759335e-01 5.48 -1.147907701e-01 -1.147907701e-01 5.50 -1.112366255e-01 -1.112366255e-01 5.52 -1.078068405e-01 -1.078068405e-01 5.54 -1.044953079e-01 -1.044953079e-01 5.56 -1.012963400e-01 -1.012963400e-01 5.58 -9.820455808e-02 -9.820455808e-02 5.60 -9.521514071e-02 -9.521514071e-02 5.62 -9.232325269e-02 -9.232325269e-02 5.64 -8.952368150e-02 -8.952368150e-02 5.66 -8.681141105e-02 -8.681141105e-02 5.68 -8.418158501e-02 -8.418158501e-02 5.70 -8.162947813e-02 -8.162947813e-02 5.72 -7.915047559e-02 -7.915047559e-02 5.74 -7.674005894e-02 -7.674005894e-02 5.76 -7.439379666e-02 -7.439379666e-02 5.78 -7.210733793e-02 -7.210733793e-02 5.80 -6.987640854e-02 -6.987640854e-02 5.82 -6.769680830e-02 -6.769680830e-02 5.84 -6.556440990e-02 -6.556440990e-02 5.86 -6.347515956e-02 -6.347515956e-02 5.88 -6.142508006e-02 -6.142508006e-02 5.90 -5.941027715e-02 -5.941027715e-02 5.92 -5.742695049e-02 -5.742695049e-02 5.94 -5.547141009e-02 -5.547141009e-02 5.96 -5.354009966e-02 -5.354009966e-02 5.98 -5.162962779e-02 -5.162962779e-02 6.00 -4.973680785e-02 -4.973680785e-02