# 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 = MgPdTi2 # 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 3.414279460e+02 3.414279460e+02 1.30 3.166678353e+02 3.166678353e+02 1.32 2.937423282e+02 2.937423282e+02 1.34 2.725062135e+02 2.725062135e+02 1.36 2.528253933e+02 2.528253933e+02 1.38 2.345756728e+02 2.345756728e+02 1.40 2.176426355e+02 2.176426355e+02 1.42 2.019219290e+02 2.019219290e+02 1.44 1.873193712e+02 1.873193712e+02 1.46 1.737503704e+02 1.737503704e+02 1.48 1.611385692e+02 1.611385692e+02 1.50 1.494142287e+02 1.494142287e+02 1.52 1.385129017e+02 1.385129017e+02 1.54 1.283746159e+02 1.283746159e+02 1.56 1.189434731e+02 1.189434731e+02 1.58 1.101674343e+02 1.101674343e+02 1.60 1.019981785e+02 1.019981785e+02 1.62 9.439108352e+01 9.439108352e+01 1.64 8.730526011e+01 8.730526011e+01 1.66 8.070341815e+01 8.070341815e+01 1.68 7.455149730e+01 7.455149730e+01 1.70 6.881821586e+01 6.881821586e+01 1.72 6.347468561e+01 6.347468561e+01 1.74 5.849416843e+01 5.849416843e+01 1.76 5.385204692e+01 5.385204692e+01 1.78 4.953226343e+01 4.953226343e+01 1.80 4.552117984e+01 4.552117984e+01 1.82 4.179654504e+01 4.179654504e+01 1.84 3.833775735e+01 3.833775735e+01 1.86 3.512571233e+01 3.512571233e+01 1.88 3.214270951e+01 3.214270951e+01 1.90 2.937239792e+01 2.937239792e+01 1.92 2.679972411e+01 2.679972411e+01 1.94 2.441085747e+01 2.441085747e+01 1.96 2.219308643e+01 2.219308643e+01 1.98 2.013470242e+01 2.013470242e+01 2.00 1.822487540e+01 1.822487540e+01 2.02 1.645352359e+01 1.645352359e+01 2.04 1.481119749e+01 1.481119749e+01 2.06 1.328900624e+01 1.328900624e+01 2.08 1.187859930e+01 1.187859930e+01 2.10 1.057218437e+01 1.057218437e+01 2.12 9.362545653e+00 9.362545653e+00 2.14 8.243031631e+00 8.243031631e+00 2.16 7.207511074e+00 7.207511074e+00 2.18 6.250308618e+00 6.250308618e+00 2.20 5.366137486e+00 5.366137486e+00 2.22 4.550037616e+00 4.550037616e+00 2.24 3.797330360e+00 3.797330360e+00 2.26 3.103594330e+00 3.103594330e+00 2.28 2.464661156e+00 2.464661156e+00 2.30 1.876623737e+00 1.876623737e+00 2.32 1.335842198e+00 1.335842198e+00 2.34 8.389453755e-01 8.389453755e-01 2.36 3.828199421e-01 3.828199421e-01 2.38 -3.540800331e-02 -3.540800331e-02 2.40 -4.183990062e-01 -4.183990062e-01 2.42 -7.686304657e-01 -7.686304657e-01 2.44 -1.088424571e+00 -1.088424571e+00 2.46 -1.379971695e+00 -1.379971695e+00 2.48 -1.645344600e+00 -1.645344600e+00 2.50 -1.886502420e+00 -1.886502420e+00 2.52 -2.105284695e+00 -2.105284695e+00 2.54 -2.303399231e+00 -2.303399231e+00 2.56 -2.482410438e+00 -2.482410438e+00 2.58 -2.643747209e+00 -2.643747209e+00 2.60 -2.788789666e+00 -2.788789666e+00 2.62 -2.918603766e+00 -2.918603766e+00 2.64 -3.034129375e+00 -3.034129375e+00 2.66 -3.136249599e+00 -3.136249599e+00 2.68 -3.225801875e+00 -3.225801875e+00 2.70 -3.303584679e+00 -3.303584679e+00 2.72 -3.370361382e+00 -3.370361382e+00 2.74 -3.426857261e+00 -3.426857261e+00 2.76 -3.473642526e+00 -3.473642526e+00 2.78 -3.511199095e+00 -3.511199095e+00 2.80 -3.540262780e+00 -3.540262780e+00 2.82 -3.561211408e+00 -3.561211408e+00 2.84 -3.574385151e+00 -3.574385151e+00 2.86 -3.580161753e+00 -3.580161753e+00 2.88 -3.578953436e+00 -3.578953436e+00 2.90 -3.571203492e+00 -3.571203492e+00 2.92 -3.557381138e+00 -3.557381138e+00 2.94 -3.537974531e+00 -3.537974531e+00 2.96 -3.513499793e+00 -3.513499793e+00 2.98 -3.484505634e+00 -3.484505634e+00 3.00 -3.451527592e+00 -3.451527592e+00 3.02 -3.415077119e+00 -3.415077119e+00 3.04 -3.375634522e+00 -3.375634522e+00 3.06 -3.333641919e+00 -3.333641919e+00 3.08 -3.289493436e+00 -3.289493436e+00 3.10 -3.243530185e+00 -3.243530185e+00 3.12 -3.196038018e+00 -3.196038018e+00 3.14 -3.147252168e+00 -3.147252168e+00 3.16 -3.097363560e+00 -3.097363560e+00 3.18 -3.046530083e+00 -3.046530083e+00 3.20 -2.994886234e+00 -2.994886234e+00 3.22 -2.942551385e+00 -2.942551385e+00 3.24 -2.889635738e+00 -2.889635738e+00 3.26 -2.836244004e+00 -2.836244004e+00 3.28 -2.782477210e+00 -2.782477210e+00 3.30 -2.728433126e+00 -2.728433126e+00 3.32 -2.674205797e+00 -2.674205797e+00 3.34 -2.619884672e+00 -2.619884672e+00 3.36 -2.565553823e+00 -2.565553823e+00 3.38 -2.511291680e+00 -2.511291680e+00 3.40 -2.457171517e+00 -2.457171517e+00 3.42 -2.403263178e+00 -2.403263178e+00 3.44 -2.349643584e+00 -2.349643584e+00 3.46 -2.296389132e+00 -2.296389132e+00 3.48 -2.243559570e+00 -2.243559570e+00 3.50 -2.191223212e+00 -2.191223212e+00 3.52 -2.139457406e+00 -2.139457406e+00 3.54 -2.088346787e+00 -2.088346787e+00 3.56 -2.037979467e+00 -2.037979467e+00 3.58 -1.988441504e+00 -1.988441504e+00 3.60 -1.939810593e+00 -1.939810593e+00 3.62 -1.892147703e+00 -1.892147703e+00 3.64 -1.845478467e+00 -1.845478467e+00 3.66 -1.799803795e+00 -1.799803795e+00 3.68 -1.755109766e+00 -1.755109766e+00 3.70 -1.711369670e+00 -1.711369670e+00 3.72 -1.668547398e+00 -1.668547398e+00 3.74 -1.626601280e+00 -1.626601280e+00 3.76 -1.585487703e+00 -1.585487703e+00 3.78 -1.545164109e+00 -1.545164109e+00 3.80 -1.505591200e+00 -1.505591200e+00 3.82 -1.466734347e+00 -1.466734347e+00 3.84 -1.428564304e+00 -1.428564304e+00 3.86 -1.391057354e+00 -1.391057354e+00 3.88 -1.354195031e+00 -1.354195031e+00 3.90 -1.317963570e+00 -1.317963570e+00 3.92 -1.282353088e+00 -1.282353088e+00 3.94 -1.247357450e+00 -1.247357450e+00 3.96 -1.212972786e+00 -1.212972786e+00 3.98 -1.179197678e+00 -1.179197678e+00 4.00 -1.146032745e+00 -1.146032745e+00 4.02 -1.113480546e+00 -1.113480546e+00 4.04 -1.081545589e+00 -1.081545589e+00 4.06 -1.050234349e+00 -1.050234349e+00 4.08 -1.019555193e+00 -1.019555193e+00 4.10 -9.895177231e-01 -9.895177231e-01 4.12 -9.601340505e-01 -9.601340505e-01 4.14 -9.314153140e-01 -9.314153140e-01 4.16 -9.033727168e-01 -9.033727168e-01 4.18 -8.760159765e-01 -8.760159765e-01 4.20 -8.493523034e-01 -8.493523034e-01 4.22 -8.233855117e-01 -8.233855117e-01 4.24 -7.981153724e-01 -7.981153724e-01 4.26 -7.735372732e-01 -7.735372732e-01 4.28 -7.496422002e-01 -7.496422002e-01 4.30 -7.264170118e-01 -7.264170118e-01 4.32 -7.038449369e-01 -7.038449369e-01 4.34 -6.819062163e-01 -6.819062163e-01 4.36 -6.605788050e-01 -6.605788050e-01 4.38 -6.398390666e-01 -6.398390666e-01 4.40 -6.196624128e-01 -6.196624128e-01 4.42 -6.000238598e-01 -6.000238598e-01 4.44 -5.808984956e-01 -5.808984956e-01 4.46 -5.622618640e-01 -5.622618640e-01 4.48 -5.440902824e-01 -5.440902824e-01 4.50 -5.263611143e-01 -5.263611143e-01 4.52 -5.090530169e-01 -5.090530169e-01 4.54 -4.921461825e-01 -4.921461825e-01 4.56 -4.756225825e-01 -4.756225825e-01 4.58 -4.594662208e-01 -4.594662208e-01 4.60 -4.436633867e-01 -4.436633867e-01 4.62 -4.282028948e-01 -4.282028948e-01 4.64 -4.130762856e-01 -4.130762856e-01 4.66 -3.982779574e-01 -3.982779574e-01 4.68 -3.838051955e-01 -3.838051955e-01 4.70 -3.696580709e-01 -3.696580709e-01 4.72 -3.558391860e-01 -3.558391860e-01 4.74 -3.423532661e-01 -3.423532661e-01 4.76 -3.292066111e-01 -3.292066111e-01 4.78 -3.164064477e-01 -3.164064477e-01 4.80 -3.039599821e-01 -3.039599821e-01 4.82 -2.918748243e-01 -2.918748243e-01 4.84 -2.801567316e-01 -2.801567316e-01 4.86 -2.688104011e-01 -2.688104011e-01 4.88 -2.578389532e-01 -2.578389532e-01 4.90 -2.472439267e-01 -2.472439267e-01 4.92 -2.370254415e-01 -2.370254415e-01 4.94 -2.271824694e-01 -2.271824694e-01 4.96 -2.177131397e-01 -2.177131397e-01 4.98 -2.086150005e-01 -2.086150005e-01 5.00 -1.998851743e-01 -1.998851743e-01 5.02 -1.915203673e-01 -1.915203673e-01 5.04 -1.835167310e-01 -1.835167310e-01 5.06 -1.758696015e-01 -1.758696015e-01 5.08 -1.685731744e-01 -1.685731744e-01 5.10 -1.616201812e-01 -1.616201812e-01 5.12 -1.550016327e-01 -1.550016327e-01 5.14 -1.487066819e-01 -1.487066819e-01 5.16 -1.427226297e-01 -1.427226297e-01 5.18 -1.370350748e-01 -1.370350748e-01 5.20 -1.316281848e-01 -1.316281848e-01 5.22 -1.264850487e-01 -1.264850487e-01 5.24 -1.215880713e-01 -1.215880713e-01 5.26 -1.169193672e-01 -1.169193672e-01 5.28 -1.124611207e-01 -1.124611207e-01 5.30 -1.081958929e-01 -1.081958929e-01 5.32 -1.041068632e-01 -1.041068632e-01 5.34 -1.001780035e-01 -1.001780035e-01 5.36 -9.639419180e-02 -9.639419180e-02 5.38 -9.274127264e-02 -9.274127264e-02 5.40 -8.920607714e-02 -8.920607714e-02 5.42 -8.577638724e-02 -8.577638724e-02 5.44 -8.244090174e-02 -8.244090174e-02 5.46 -7.918932335e-02 -7.918932335e-02 5.48 -7.601224015e-02 -7.601224015e-02 5.50 -7.290110463e-02 -7.290110463e-02 5.52 -6.984823668e-02 -6.984823668e-02 5.54 -6.684684981e-02 -6.684684981e-02 5.56 -6.389110312e-02 -6.389110312e-02 5.58 -6.097617885e-02 -6.097617885e-02 5.60 -5.809838147e-02 -5.809838147e-02 5.62 -5.525525073e-02 -5.525525073e-02 5.64 -5.244567719e-02 -5.244567719e-02 5.66 -4.967000595e-02 -4.967000595e-02 5.68 -4.693010939e-02 -4.693010939e-02 5.70 -4.422941248e-02 -4.422941248e-02 5.72 -4.157285428e-02 -4.157285428e-02 5.74 -3.896677016e-02 -3.896677016e-02 5.76 -3.641868781e-02 -3.641868781e-02 5.78 -3.393704063e-02 -3.393704063e-02 5.80 -3.153079894e-02 -3.153079894e-02 5.82 -2.920905240e-02 -2.920905240e-02 5.84 -2.698056697e-02 -2.698056697e-02 5.86 -2.485334870e-02 -2.485334870e-02 5.88 -2.283425001e-02 -2.283425001e-02 5.90 -2.092864950e-02 -2.092864950e-02 5.92 -1.914000154e-02 -1.914000154e-02 5.94 -1.746962494e-02 -1.746962494e-02 5.96 -1.591796041e-02 -1.591796041e-02 5.98 -1.448366248e-02 -1.448366248e-02 6.00 -1.316371722e-02 -1.316371722e-02