# 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 = CoPdZr2 # 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 3.303418994e+02 3.303418994e+02 1.30 3.069879548e+02 3.069879548e+02 1.32 2.853281807e+02 2.853281807e+02 1.34 2.652280070e+02 2.652280070e+02 1.36 2.465636563e+02 2.465636563e+02 1.38 2.292217466e+02 2.292217466e+02 1.40 2.130990241e+02 2.130990241e+02 1.42 1.981020112e+02 1.981020112e+02 1.44 1.841463816e+02 1.841463816e+02 1.46 1.711556655e+02 1.711556655e+02 1.48 1.590596837e+02 1.590596837e+02 1.50 1.477935265e+02 1.477935265e+02 1.52 1.372971616e+02 1.372971616e+02 1.54 1.275150293e+02 1.275150293e+02 1.56 1.183956344e+02 1.183956344e+02 1.58 1.098911318e+02 1.098911318e+02 1.60 1.019570792e+02 1.019570792e+02 1.62 9.455227946e+01 9.455227946e+01 1.64 8.763877881e+01 8.763877881e+01 1.66 8.118178124e+01 8.118178124e+01 1.68 7.514948328e+01 7.514948328e+01 1.70 6.951280705e+01 6.951280705e+01 1.72 6.424495075e+01 6.424495075e+01 1.74 5.932092531e+01 5.932092531e+01 1.76 5.471726260e+01 5.471726260e+01 1.78 5.041197348e+01 5.041197348e+01 1.80 4.638460611e+01 4.638460611e+01 1.82 4.261622302e+01 4.261622302e+01 1.84 3.908930738e+01 3.908930738e+01 1.86 3.578771336e+01 3.578771336e+01 1.88 3.269660414e+01 3.269660414e+01 1.90 2.980276551e+01 2.980276551e+01 1.92 2.709455924e+01 2.709455924e+01 1.94 2.456045384e+01 2.456045384e+01 1.96 2.219325189e+01 2.219325189e+01 1.98 1.999239694e+01 1.999239694e+01 2.00 1.794759461e+01 1.794759461e+01 2.02 1.604853167e+01 1.604853167e+01 2.04 1.428552549e+01 1.428552549e+01 2.06 1.264948584e+01 1.264948584e+01 2.08 1.113186670e+01 1.113186670e+01 2.10 9.724639548e+00 9.724639548e+00 2.12 8.420252526e+00 8.420252526e+00 2.14 7.211613511e+00 7.211613511e+00 2.16 6.092084289e+00 6.092084289e+00 2.18 5.055470181e+00 5.055470181e+00 2.20 4.096021718e+00 4.096021718e+00 2.22 3.208403331e+00 3.208403331e+00 2.24 2.387670386e+00 2.387670386e+00 2.26 1.629255610e+00 1.629255610e+00 2.28 9.289495137e-01 9.289495137e-01 2.30 2.829160289e-01 2.829160289e-01 2.32 -3.123548575e-01 -3.123548575e-01 2.34 -8.600758655e-01 -8.600758655e-01 2.36 -1.363226381e+00 -1.363226381e+00 2.38 -1.824605603e+00 -1.824605603e+00 2.40 -2.246877841e+00 -2.246877841e+00 2.42 -2.632612435e+00 -2.632612435e+00 2.44 -2.984296200e+00 -2.984296200e+00 2.46 -3.304346340e+00 -3.304346340e+00 2.48 -3.595100041e+00 -3.595100041e+00 2.50 -3.858793730e+00 -3.858793730e+00 2.52 -4.097536802e+00 -4.097536802e+00 2.54 -4.313287422e+00 -4.313287422e+00 2.56 -4.507836234e+00 -4.507836234e+00 2.58 -4.682800927e+00 -4.682800927e+00 2.60 -4.839631789e+00 -4.839631789e+00 2.62 -4.979623434e+00 -4.979623434e+00 2.64 -5.103944774e+00 -5.103944774e+00 2.66 -5.213643532e+00 -5.213643532e+00 2.68 -5.309735096e+00 -5.309735096e+00 2.70 -5.393176594e+00 -5.393176594e+00 2.72 -5.464676181e+00 -5.464676181e+00 2.74 -5.524922949e+00 -5.524922949e+00 2.76 -5.574594523e+00 -5.574594523e+00 2.78 -5.614348930e+00 -5.614348930e+00 2.80 -5.644830186e+00 -5.644830186e+00 2.82 -5.666644969e+00 -5.666644969e+00 2.84 -5.680363488e+00 -5.680363488e+00 2.86 -5.686349232e+00 -5.686349232e+00 2.88 -5.684843279e+00 -5.684843279e+00 2.90 -5.676129561e+00 -5.676129561e+00 2.92 -5.660531383e+00 -5.660531383e+00 2.94 -5.638404386e+00 -5.638404386e+00 2.96 -5.610155651e+00 -5.610155651e+00 2.98 -5.576159895e+00 -5.576159895e+00 3.00 -5.536780233e+00 -5.536780233e+00 3.02 -5.492381446e+00 -5.492381446e+00 3.04 -5.443319228e+00 -5.443319228e+00 3.06 -5.389954112e+00 -5.389954112e+00 3.08 -5.332686554e+00 -5.332686554e+00 3.10 -5.272055643e+00 -5.272055643e+00 3.12 -5.208290716e+00 -5.208290716e+00 3.14 -5.141609988e+00 -5.141609988e+00 3.16 -5.072200841e+00 -5.072200841e+00 3.18 -5.000256251e+00 -5.000256251e+00 3.20 -4.925986584e+00 -4.925986584e+00 3.22 -4.849616751e+00 -4.849616751e+00 3.24 -4.771384172e+00 -4.771384172e+00 3.26 -4.691537925e+00 -4.691537925e+00 3.28 -4.610346462e+00 -4.610346462e+00 3.30 -4.528109151e+00 -4.528109151e+00 3.32 -4.445126664e+00 -4.445126664e+00 3.34 -4.361688513e+00 -4.361688513e+00 3.36 -4.278063092e+00 -4.278063092e+00 3.38 -4.194488267e+00 -4.194488267e+00 3.40 -4.111163197e+00 -4.111163197e+00 3.42 -4.028253686e+00 -4.028253686e+00 3.44 -3.945882696e+00 -3.945882696e+00 3.46 -3.864143921e+00 -3.864143921e+00 3.48 -3.783106054e+00 -3.783106054e+00 3.50 -3.702819050e+00 -3.702819050e+00 3.52 -3.623319209e+00 -3.623319209e+00 3.54 -3.544632743e+00 -3.544632743e+00 3.56 -3.466777941e+00 -3.466777941e+00 3.58 -3.389766268e+00 -3.389766268e+00 3.60 -3.313602839e+00 -3.313602839e+00 3.62 -3.238286669e+00 -3.238286669e+00 3.64 -3.163811048e+00 -3.163811048e+00 3.66 -3.090164296e+00 -3.090164296e+00 3.68 -3.017331099e+00 -3.017331099e+00 3.70 -2.945294500e+00 -2.945294500e+00 3.72 -2.874038567e+00 -2.874038567e+00 3.74 -2.803551616e+00 -2.803551616e+00 3.76 -2.733829768e+00 -2.733829768e+00 3.78 -2.664880465e+00 -2.664880465e+00 3.80 -2.596725449e+00 -2.596725449e+00 3.82 -2.529402603e+00 -2.529402603e+00 3.84 -2.462966095e+00 -2.462966095e+00 3.86 -2.397484409e+00 -2.397484409e+00 3.88 -2.333036204e+00 -2.333036204e+00 3.90 -2.269704394e+00 -2.269704394e+00 3.92 -2.207565833e+00 -2.207565833e+00 3.94 -2.146699241e+00 -2.146699241e+00 3.96 -2.087156922e+00 -2.087156922e+00 3.98 -2.028977865e+00 -2.028977865e+00 4.00 -1.972182728e+00 -1.972182728e+00 4.02 -1.916775329e+00 -1.916775329e+00 4.04 -1.862745692e+00 -1.862745692e+00 4.06 -1.810073845e+00 -1.810073845e+00 4.08 -1.758733645e+00 -1.758733645e+00 4.10 -1.708689061e+00 -1.708689061e+00 4.12 -1.659926080e+00 -1.659926080e+00 4.14 -1.612407911e+00 -1.612407911e+00 4.16 -1.566108444e+00 -1.566108444e+00 4.18 -1.521003720e+00 -1.521003720e+00 4.20 -1.477071667e+00 -1.477071667e+00 4.22 -1.434291597e+00 -1.434291597e+00 4.24 -1.392643602e+00 -1.392643602e+00 4.26 -1.352107963e+00 -1.352107963e+00 4.28 -1.312664576e+00 -1.312664576e+00 4.30 -1.274292443e+00 -1.274292443e+00 4.32 -1.236969214e+00 -1.236969214e+00 4.34 -1.200670815e+00 -1.200670815e+00 4.36 -1.165371188e+00 -1.165371188e+00 4.38 -1.131042172e+00 -1.131042172e+00 4.40 -1.097653563e+00 -1.097653563e+00 4.42 -1.065173345e+00 -1.065173345e+00 4.44 -1.033568075e+00 -1.033568075e+00 4.46 -1.002803388e+00 -1.002803388e+00 4.48 -9.728445720e-01 -9.728445720e-01 4.50 -9.436571648e-01 -9.436571648e-01 4.52 -9.152075503e-01 -9.152075503e-01 4.54 -8.874635225e-01 -8.874635225e-01 4.56 -8.603948139e-01 -8.603948139e-01 4.58 -8.339735794e-01 -8.339735794e-01 4.60 -8.081748336e-01 -8.081748336e-01 4.62 -7.829768304e-01 -7.829768304e-01 4.64 -7.583613708e-01 -7.583613708e-01 4.66 -7.343140155e-01 -7.343140155e-01 4.68 -7.108241760e-01 -7.108241760e-01 4.70 -6.878850566e-01 -6.878850566e-01 4.72 -6.654934301e-01 -6.654934301e-01 4.74 -6.436492383e-01 -6.436492383e-01 4.76 -6.223550331e-01 -6.223550331e-01 4.78 -6.016152887e-01 -6.016152887e-01 4.80 -5.814294952e-01 -5.814294952e-01 4.82 -5.618169817e-01 -5.618169817e-01 4.84 -5.427760368e-01 -5.427760368e-01 4.86 -5.243113360e-01 -5.243113360e-01 4.88 -5.064260253e-01 -5.064260253e-01 4.90 -4.891213298e-01 -4.891213298e-01 4.92 -4.723962742e-01 -4.723962742e-01 4.94 -4.562474885e-01 -4.562474885e-01 4.96 -4.406690710e-01 -4.406690710e-01 4.98 -4.256524898e-01 -4.256524898e-01 5.00 -4.111865215e-01 -4.111865215e-01 5.02 -3.972572382e-01 -3.972572382e-01 5.04 -3.838480662e-01 -3.838480662e-01 5.06 -3.709399354e-01 -3.709399354e-01 5.08 -3.585115342e-01 -3.585115342e-01 5.10 -3.465396662e-01 -3.465396662e-01 5.12 -3.349996951e-01 -3.349996951e-01 5.14 -3.238660502e-01 -3.238660502e-01 5.16 -3.131127615e-01 -3.131127615e-01 5.18 -3.027139957e-01 -3.027139957e-01 5.20 -2.926445684e-01 -2.926445684e-01 5.22 -2.828804190e-01 -2.828804190e-01 5.24 -2.733990382e-01 -2.733990382e-01 5.26 -2.641798490e-01 -2.641798490e-01 5.28 -2.552045398e-01 -2.552045398e-01 5.30 -2.464573506e-01 -2.464573506e-01 5.32 -2.379253086e-01 -2.379253086e-01 5.34 -2.295984040e-01 -2.295984040e-01 5.36 -2.214696932e-01 -2.214696932e-01 5.38 -2.135353083e-01 -2.135353083e-01 5.40 -2.057943564e-01 -2.057943564e-01 5.42 -1.982486877e-01 -1.982486877e-01 5.44 -1.909025255e-01 -1.909025255e-01 5.46 -1.837619602e-01 -1.837619602e-01 5.48 -1.768343241e-01 -1.768343241e-01 5.50 -1.701274834e-01 -1.701274834e-01 5.52 -1.636490977e-01 -1.636490977e-01 5.54 -1.574059026e-01 -1.574059026e-01 5.56 -1.514030740e-01 -1.514030740e-01 5.58 -1.456437248e-01 -1.456437248e-01 5.60 -1.401283898e-01 -1.401283898e-01 5.62 -1.348550308e-01 -1.348550308e-01 5.64 -1.298195009e-01 -1.298195009e-01 5.66 -1.250152217e-01 -1.250152217e-01 5.68 -1.204334789e-01 -1.204334789e-01 5.70 -1.160638056e-01 -1.160638056e-01 5.72 -1.118943989e-01 -1.118943989e-01 5.74 -1.079125322e-01 -1.079125322e-01 5.76 -1.041049373e-01 -1.041049373e-01 5.78 -1.004581367e-01 -1.004581367e-01 5.80 -9.695871857e-02 -9.695871857e-02 5.82 -9.359355088e-02 -9.359355088e-02 5.84 -9.034994041e-02 -9.034994041e-02 5.86 -8.721574230e-02 -8.721574230e-02 5.88 -8.417943023e-02 -8.417943023e-02 5.90 -8.123013671e-02 -8.123013671e-02 5.92 -7.835767309e-02 -7.835767309e-02 5.94 -7.555253789e-02 -7.555253789e-02 5.96 -7.280592116e-02 -7.280592116e-02 5.98 -7.010971105e-02 -7.010971105e-02 6.00 -6.745650757e-02 -6.745650757e-02