# 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 = MgMoPd2 # 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 3.563035604e+02 3.563035604e+02 1.30 3.302160389e+02 3.302160389e+02 1.32 3.060513830e+02 3.060513830e+02 1.34 2.836563597e+02 2.836563597e+02 1.36 2.628931392e+02 2.628931392e+02 1.38 2.436365057e+02 2.436365057e+02 1.40 2.257713020e+02 2.257713020e+02 1.42 2.091905313e+02 2.091905313e+02 1.44 1.937947527e+02 1.937947527e+02 1.46 1.794923544e+02 1.794923544e+02 1.48 1.661995767e+02 1.661995767e+02 1.50 1.538398956e+02 1.538398956e+02 1.52 1.423431709e+02 1.423431709e+02 1.54 1.316449016e+02 1.316449016e+02 1.56 1.216856027e+02 1.216856027e+02 1.58 1.124102222e+02 1.124102222e+02 1.60 1.037677027e+02 1.037677027e+02 1.62 9.571081112e+01 9.571081112e+01 1.64 8.819616978e+01 8.819616978e+01 1.66 8.118422935e+01 8.118422935e+01 1.68 7.463977249e+01 7.463977249e+01 1.70 6.853202698e+01 6.853202698e+01 1.72 6.285102462e+01 6.285102462e+01 1.74 5.758732194e+01 5.758732194e+01 1.76 5.271224835e+01 5.271224835e+01 1.78 4.819955764e+01 4.819955764e+01 1.80 4.402518283e+01 4.402518283e+01 1.82 4.016682026e+01 4.016682026e+01 1.84 3.660342561e+01 3.660342561e+01 1.86 3.331477725e+01 3.331477725e+01 1.88 3.028122779e+01 3.028122779e+01 1.90 2.748370458e+01 2.748370458e+01 1.92 2.490392783e+01 2.490392783e+01 1.94 2.252472028e+01 2.252472028e+01 1.96 2.033025408e+01 2.033025408e+01 1.98 1.830612876e+01 1.830612876e+01 2.00 1.643928189e+01 1.643928189e+01 2.02 1.471780181e+01 1.471780181e+01 2.04 1.313072285e+01 1.313072285e+01 2.06 1.166785380e+01 1.166785380e+01 2.08 1.031966102e+01 1.031966102e+01 2.10 9.077210142e+00 9.077210142e+00 2.12 7.932156234e+00 7.932156234e+00 2.14 6.876766252e+00 6.876766252e+00 2.16 5.903949991e+00 5.903949991e+00 2.18 5.007276655e+00 5.007276655e+00 2.20 4.180964929e+00 4.180964929e+00 2.22 3.419842380e+00 3.419842380e+00 2.24 2.719283819e+00 2.719283819e+00 2.26 2.075139154e+00 2.075139154e+00 2.28 1.483659021e+00 1.483659021e+00 2.30 9.414259701e-01 9.414259701e-01 2.32 4.452888084e-01 4.452888084e-01 2.34 -7.694312599e-03 -7.694312599e-03 2.36 -4.203058920e-01 -4.203058920e-01 2.38 -7.951817245e-01 -7.951817245e-01 2.40 -1.134765221e+00 -1.134765221e+00 2.42 -1.441685950e+00 -1.441685950e+00 2.44 -1.718528392e+00 -1.718528392e+00 2.46 -1.967786173e+00 -1.967786173e+00 2.48 -2.191851683e+00 -2.191851683e+00 2.50 -2.392990116e+00 -2.392990116e+00 2.52 -2.573301949e+00 -2.573301949e+00 2.54 -2.734639035e+00 -2.734639035e+00 2.56 -2.878441221e+00 -2.878441221e+00 2.58 -3.005929487e+00 -3.005929487e+00 2.60 -3.118178981e+00 -3.118178981e+00 2.62 -3.216138842e+00 -3.216138842e+00 2.64 -3.300660402e+00 -3.300660402e+00 2.66 -3.372523517e+00 -3.372523517e+00 2.68 -3.432740347e+00 -3.432740347e+00 2.70 -3.482423022e+00 -3.482423022e+00 2.72 -3.521940588e+00 -3.521940588e+00 2.74 -3.551675360e+00 -3.551675360e+00 2.76 -3.572039206e+00 -3.572039206e+00 2.78 -3.583466459e+00 -3.583466459e+00 2.80 -3.586409774e+00 -3.586409774e+00 2.82 -3.581337607e+00 -3.581337607e+00 2.84 -3.568740253e+00 -3.568740253e+00 2.86 -3.549189684e+00 -3.549189684e+00 2.88 -3.523315476e+00 -3.523315476e+00 2.90 -3.491749516e+00 -3.491749516e+00 2.92 -3.455120864e+00 -3.455120864e+00 2.94 -3.414045883e+00 -3.414045883e+00 2.96 -3.369113669e+00 -3.369113669e+00 2.98 -3.320869695e+00 -3.320869695e+00 3.00 -3.269801368e+00 -3.269801368e+00 3.02 -3.216328525e+00 -3.216328525e+00 3.04 -3.160800111e+00 -3.160800111e+00 3.06 -3.103498163e+00 -3.103498163e+00 3.08 -3.044643662e+00 -3.044643662e+00 3.10 -2.984407612e+00 -2.984407612e+00 3.12 -2.922921178e+00 -2.922921178e+00 3.14 -2.860306740e+00 -2.860306740e+00 3.16 -2.796642889e+00 -2.796642889e+00 3.18 -2.731960075e+00 -2.731960075e+00 3.20 -2.666299020e+00 -2.666299020e+00 3.22 -2.599712670e+00 -2.599712670e+00 3.24 -2.532268595e+00 -2.532268595e+00 3.26 -2.464050877e+00 -2.464050877e+00 3.28 -2.395138792e+00 -2.395138792e+00 3.30 -2.325619364e+00 -2.325619364e+00 3.32 -2.255621383e+00 -2.255621383e+00 3.34 -2.185313206e+00 -2.185313206e+00 3.36 -2.114898564e+00 -2.114898564e+00 3.38 -2.044611436e+00 -2.044611436e+00 3.40 -1.974709537e+00 -1.974709537e+00 3.42 -1.905466546e+00 -1.905466546e+00 3.44 -1.837162526e+00 -1.837162526e+00 3.46 -1.770073846e+00 -1.770073846e+00 3.48 -1.704462569e+00 -1.704462569e+00 3.50 -1.640566449e+00 -1.640566449e+00 3.52 -1.578590328e+00 -1.578590328e+00 3.54 -1.518699681e+00 -1.518699681e+00 3.56 -1.461016752e+00 -1.461016752e+00 3.58 -1.405619433e+00 -1.405619433e+00 3.60 -1.352542684e+00 -1.352542684e+00 3.62 -1.301782085e+00 -1.301782085e+00 3.64 -1.253298911e+00 -1.253298911e+00 3.66 -1.207026120e+00 -1.207026120e+00 3.68 -1.162874664e+00 -1.162874664e+00 3.70 -1.120739637e+00 -1.120739637e+00 3.72 -1.080505920e+00 -1.080505920e+00 3.74 -1.042053111e+00 -1.042053111e+00 3.76 -1.005259620e+00 -1.005259620e+00 3.78 -9.700059366e-01 -9.700059366e-01 3.80 -9.361770921e-01 -9.361770921e-01 3.82 -9.036644109e-01 -9.036644109e-01 3.84 -8.723666419e-01 -8.723666419e-01 3.86 -8.421905862e-01 -8.421905862e-01 3.88 -8.130513444e-01 -8.130513444e-01 3.90 -7.848723125e-01 -7.848723125e-01 3.92 -7.575849341e-01 -7.575849341e-01 3.94 -7.311290975e-01 -7.311290975e-01 3.96 -7.054522514e-01 -7.054522514e-01 3.98 -6.805100520e-01 -6.805100520e-01 4.00 -6.562663405e-01 -6.562663405e-01 4.02 -6.326932748e-01 -6.326932748e-01 4.04 -6.097713287e-01 -6.097713287e-01 4.06 -5.874890186e-01 -5.874890186e-01 4.08 -5.658422288e-01 -5.658422288e-01 4.10 -5.448327902e-01 -5.448327902e-01 4.12 -5.244679483e-01 -5.244679483e-01 4.14 -5.047565430e-01 -5.047565430e-01 4.16 -4.857079597e-01 -4.857079597e-01 4.18 -4.673294878e-01 -4.673294878e-01 4.20 -4.496242525e-01 -4.496242525e-01 4.22 -4.325896085e-01 -4.325896085e-01 4.24 -4.162161448e-01 -4.162161448e-01 4.26 -4.004873515e-01 -4.004873515e-01 4.28 -3.853799025e-01 -3.853799025e-01 4.30 -3.708644318e-01 -3.708644318e-01 4.32 -3.569066363e-01 -3.569066363e-01 4.34 -3.434685384e-01 -3.434685384e-01 4.36 -3.305097599e-01 -3.305097599e-01 4.38 -3.179887042e-01 -3.179887042e-01 4.40 -3.058635852e-01 -3.058635852e-01 4.42 -2.940932870e-01 -2.940932870e-01 4.44 -2.826380653e-01 -2.826380653e-01 4.46 -2.714601251e-01 -2.714601251e-01 4.48 -2.605241182e-01 -2.605241182e-01 4.50 -2.497976034e-01 -2.497976034e-01 4.52 -2.392515094e-01 -2.392515094e-01 4.54 -2.288606266e-01 -2.288606266e-01 4.56 -2.186041422e-01 -2.186041422e-01 4.58 -2.084662127e-01 -2.084662127e-01 4.60 -1.984365503e-01 -1.984365503e-01 4.62 -1.885109787e-01 -1.885109787e-01 4.64 -1.786918947e-01 -1.786918947e-01 4.66 -1.689885575e-01 -1.689885575e-01 4.68 -1.594171224e-01 -1.594171224e-01 4.70 -1.500003396e-01 -1.500003396e-01 4.72 -1.407668584e-01 -1.407668584e-01 4.74 -1.317501142e-01 -1.317501142e-01 4.76 -1.229868198e-01 -1.229868198e-01 4.78 -1.145151417e-01 -1.145151417e-01 4.80 -1.063724875e-01 -1.063724875e-01 4.82 -9.859429541e-02 -9.859429541e-02 4.84 -9.121085081e-02 -9.121085081e-02 4.86 -8.424663362e-02 -8.424663362e-02 4.88 -7.771896471e-02 -7.771896471e-02 4.90 -7.163741409e-02 -7.163741409e-02 4.92 -6.600373862e-02 -6.600373862e-02 4.94 -6.081230723e-02 -6.081230723e-02 4.96 -5.605089040e-02 -5.605089040e-02 4.98 -5.170173195e-02 -5.170173195e-02 5.00 -4.774276793e-02 -4.774276793e-02 5.02 -4.414886000e-02 -4.414886000e-02 5.04 -4.089234408e-02 -4.089234408e-02 5.06 -3.794510539e-02 -3.794510539e-02 5.08 -3.527997356e-02 -3.527997356e-02 5.10 -3.287014372e-02 -3.287014372e-02 5.12 -3.068983168e-02 -3.068983168e-02 5.14 -2.871468218e-02 -2.871468218e-02 5.16 -2.692206128e-02 -2.692206128e-02 5.18 -2.529139867e-02 -2.529139867e-02 5.20 -2.380405682e-02 -2.380405682e-02 5.22 -2.244330482e-02 -2.244330482e-02 5.24 -2.119424911e-02 -2.119424911e-02 5.26 -2.004373030e-02 -2.004373030e-02 5.28 -1.898020090e-02 -1.898020090e-02 5.30 -1.799359433e-02 -1.799359433e-02 5.32 -1.707519237e-02 -1.707519237e-02 5.34 -1.621749474e-02 -1.621749474e-02 5.36 -1.541407924e-02 -1.541407924e-02 5.38 -1.465950519e-02 -1.465950519e-02 5.40 -1.394919801e-02 -1.394919801e-02 5.42 -1.327932741e-02 -1.327932741e-02 5.44 -1.264669956e-02 -1.264669956e-02 5.46 -1.204865288e-02 -1.204865288e-02 5.48 -1.148295819e-02 -1.148295819e-02 5.50 -1.094772480e-02 -1.094772480e-02 5.52 -1.044131455e-02 -1.044131455e-02 5.54 -9.962265959e-03 -9.962265959e-03 5.56 -9.509230624e-03 -9.509230624e-03 5.58 -9.080923145e-03 -9.080923145e-03 5.60 -8.676085066e-03 -8.676085066e-03 5.62 -8.293462209e-03 -8.293462209e-03 5.64 -7.931793843e-03 -7.931793843e-03 5.66 -7.589811436e-03 -7.589811436e-03 5.68 -7.266244374e-03 -7.266244374e-03 5.70 -6.959830022e-03 -6.959830022e-03 5.72 -6.669325774e-03 -6.669325774e-03 5.74 -6.393521203e-03 -6.393521203e-03 5.76 -6.131248964e-03 -6.131248964e-03 5.78 -5.881393642e-03 -5.881393642e-03 5.80 -5.642898201e-03 -5.642898201e-03 5.82 -5.414768031e-03 -5.414768031e-03 5.84 -5.196072846e-03 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