# 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 = Ag2MgNi # 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 2.458348154e+02 2.458348154e+02 1.30 2.271807821e+02 2.271807821e+02 1.32 2.099583093e+02 2.099583093e+02 1.34 1.940490237e+02 1.940490237e+02 1.36 1.793458324e+02 1.793458324e+02 1.38 1.657524834e+02 1.657524834e+02 1.40 1.531820318e+02 1.531820318e+02 1.42 1.415550728e+02 1.415550728e+02 1.44 1.307983040e+02 1.307983040e+02 1.46 1.208435931e+02 1.208435931e+02 1.48 1.116276852e+02 1.116276852e+02 1.50 1.030924185e+02 1.030924185e+02 1.52 9.518492950e+01 9.518492950e+01 1.54 8.785738301e+01 8.785738301e+01 1.56 8.106626677e+01 8.106626677e+01 1.58 7.477161746e+01 7.477161746e+01 1.60 6.893686275e+01 6.893686275e+01 1.62 6.353033457e+01 6.353033457e+01 1.64 5.852054398e+01 5.852054398e+01 1.66 5.387795667e+01 5.387795667e+01 1.68 4.957520324e+01 4.957520324e+01 1.70 4.558691653e+01 4.558691653e+01 1.72 4.188961954e+01 4.188961954e+01 1.74 3.846160846e+01 3.846160846e+01 1.76 3.528283289e+01 3.528283289e+01 1.78 3.233482760e+01 3.233482760e+01 1.80 2.960069402e+01 2.960069402e+01 1.82 2.706506871e+01 2.706506871e+01 1.84 2.471401358e+01 2.471401358e+01 1.86 2.253482697e+01 2.253482697e+01 1.88 2.051580795e+01 2.051580795e+01 1.90 1.864603122e+01 1.864603122e+01 1.92 1.691517214e+01 1.691517214e+01 1.94 1.531340508e+01 1.531340508e+01 1.96 1.383137960e+01 1.383137960e+01 1.98 1.246026096e+01 1.246026096e+01 2.00 1.119179943e+01 1.119179943e+01 2.02 1.001838736e+01 1.001838736e+01 2.04 8.933076398e+00 8.933076398e+00 2.06 7.929546101e+00 7.929546101e+00 2.08 7.002034624e+00 7.002034624e+00 2.10 6.145255305e+00 6.145255305e+00 2.12 5.354320404e+00 5.354320404e+00 2.14 4.624683103e+00 4.624683103e+00 2.16 3.952098001e+00 3.952098001e+00 2.18 3.332593015e+00 3.332593015e+00 2.20 2.762449040e+00 2.762449040e+00 2.22 2.238182687e+00 2.238182687e+00 2.24 1.756533681e+00 1.756533681e+00 2.26 1.314455489e+00 1.314455489e+00 2.28 9.091057093e-01 9.091057093e-01 2.30 5.378352106e-01 5.378352106e-01 2.32 1.981710237e-01 1.981710237e-01 2.34 -1.121972984e-01 -1.121972984e-01 2.36 -3.954269259e-01 -3.954269259e-01 2.38 -6.535215986e-01 -6.535215986e-01 2.40 -8.883290634e-01 -8.883290634e-01 2.42 -1.101542180e+00 -1.101542180e+00 2.44 -1.294711210e+00 -1.294711210e+00 2.46 -1.469266679e+00 -1.469266679e+00 2.48 -1.626541777e+00 -1.626541777e+00 2.50 -1.767792035e+00 -1.767792035e+00 2.52 -1.894209475e+00 -1.894209475e+00 2.54 -2.006931155e+00 -2.006931155e+00 2.56 -2.106989125e+00 -2.106989125e+00 2.58 -2.195253329e+00 -2.195253329e+00 2.60 -2.272561593e+00 -2.272561593e+00 2.62 -2.339732468e+00 -2.339732468e+00 2.64 -2.397555010e+00 -2.397555010e+00 2.66 -2.446776392e+00 -2.446776392e+00 2.68 -2.488093880e+00 -2.488093880e+00 2.70 -2.522228160e+00 -2.522228160e+00 2.72 -2.549904949e+00 -2.549904949e+00 2.74 -2.571473496e+00 -2.571473496e+00 2.76 -2.587269095e+00 -2.587269095e+00 2.78 -2.597631515e+00 -2.597631515e+00 2.80 -2.602897109e+00 -2.602897109e+00 2.82 -2.603389778e+00 -2.603389778e+00 2.84 -2.599415726e+00 -2.599415726e+00 2.86 -2.591262656e+00 -2.591262656e+00 2.88 -2.579212536e+00 -2.579212536e+00 2.90 -2.563536580e+00 -2.563536580e+00 2.92 -2.544492222e+00 -2.544492222e+00 2.94 -2.522328706e+00 -2.522328706e+00 2.96 -2.497292207e+00 -2.497292207e+00 2.98 -2.469630147e+00 -2.469630147e+00 3.00 -2.439594414e+00 -2.439594414e+00 3.02 -2.407443045e+00 -2.407443045e+00 3.04 -2.373439625e+00 -2.373439625e+00 3.06 -2.337851147e+00 -2.337851147e+00 3.08 -2.300941326e+00 -2.300941326e+00 3.10 -2.262964292e+00 -2.262964292e+00 3.12 -2.224170314e+00 -2.224170314e+00 3.14 -2.184772747e+00 -2.184772747e+00 3.16 -2.144938909e+00 -2.144938909e+00 3.18 -2.104810873e+00 -2.104810873e+00 3.20 -2.064506263e+00 -2.064506263e+00 3.22 -2.024121487e+00 -2.024121487e+00 3.24 -1.983736088e+00 -1.983736088e+00 3.26 -1.943417254e+00 -1.943417254e+00 3.28 -1.903222301e+00 -1.903222301e+00 3.30 -1.863184630e+00 -1.863184630e+00 3.32 -1.823323990e+00 -1.823323990e+00 3.34 -1.783663174e+00 -1.783663174e+00 3.36 -1.744227408e+00 -1.744227408e+00 3.38 -1.705043204e+00 -1.705043204e+00 3.40 -1.666137264e+00 -1.666137264e+00 3.42 -1.627535815e+00 -1.627535815e+00 3.44 -1.589263789e+00 -1.589263789e+00 3.46 -1.551344644e+00 -1.551344644e+00 3.48 -1.513800076e+00 -1.513800076e+00 3.50 -1.476649861e+00 -1.476649861e+00 3.52 -1.439911731e+00 -1.439911731e+00 3.54 -1.403601293e+00 -1.403601293e+00 3.56 -1.367731980e+00 -1.367731980e+00 3.58 -1.332315038e+00 -1.332315038e+00 3.60 -1.297359550e+00 -1.297359550e+00 3.62 -1.262872485e+00 -1.262872485e+00 3.64 -1.228858799e+00 -1.228858799e+00 3.66 -1.195321616e+00 -1.195321616e+00 3.68 -1.162262509e+00 -1.162262509e+00 3.70 -1.129681948e+00 -1.129681948e+00 3.72 -1.097579926e+00 -1.097579926e+00 3.74 -1.065956785e+00 -1.065956785e+00 3.76 -1.034814194e+00 -1.034814194e+00 3.78 -1.004156196e+00 -1.004156196e+00 3.80 -9.739901915e-01 -9.739901915e-01 3.82 -9.443276515e-01 -9.443276515e-01 3.84 -9.151843881e-01 -9.151843881e-01 3.86 -8.865802059e-01 -8.865802059e-01 3.88 -8.585378652e-01 -8.585378652e-01 3.90 -8.310814139e-01 -8.310814139e-01 3.92 -8.042339832e-01 -8.042339832e-01 3.94 -7.780159636e-01 -7.780159636e-01 3.96 -7.524423204e-01 -7.524423204e-01 3.98 -7.275215414e-01 -7.275215414e-01 4.00 -7.032546921e-01 -7.032546921e-01 4.02 -6.796353354e-01 -6.796353354e-01 4.04 -6.566501090e-01 -6.566501090e-01 4.06 -6.342797925e-01 -6.342797925e-01 4.08 -6.125006703e-01 -6.125006703e-01 4.10 -5.912857240e-01 -5.912857240e-01 4.12 -5.706073089e-01 -5.706073089e-01 4.14 -5.504366070e-01 -5.504366070e-01 4.16 -5.307462081e-01 -5.307462081e-01 4.18 -5.115108224e-01 -5.115108224e-01 4.20 -4.927081952e-01 -4.927081952e-01 4.22 -4.743198590e-01 -4.743198590e-01 4.24 -4.563317087e-01 -4.563317087e-01 4.26 -4.387343830e-01 -4.387343830e-01 4.28 -4.215234278e-01 -4.215234278e-01 4.30 -4.046992260e-01 -4.046992260e-01 4.32 -3.882666919e-01 -3.882666919e-01 4.34 -3.722347436e-01 -3.722347436e-01 4.36 -3.566155895e-01 -3.566155895e-01 4.38 -3.414238738e-01 -3.414238738e-01 4.40 -3.266757296e-01 -3.266757296e-01 4.42 -3.123877813e-01 -3.123877813e-01 4.44 -2.985761247e-01 -2.985761247e-01 4.46 -2.852553076e-01 -2.852553076e-01 4.48 -2.724373307e-01 -2.724373307e-01 4.50 -2.601307037e-01 -2.601307037e-01 4.52 -2.483396057e-01 -2.483396057e-01 4.54 -2.370632193e-01 -2.370632193e-01 4.56 -2.262953053e-01 -2.262953053e-01 4.58 -2.160240769e-01 -2.160240769e-01 4.60 -2.062323986e-01 -2.062323986e-01 4.62 -1.968982996e-01 -1.968982996e-01 4.64 -1.879957530e-01 -1.879957530e-01 4.66 -1.794956461e-01 -1.794956461e-01 4.68 -1.713668572e-01 -1.713668572e-01 4.70 -1.635773536e-01 -1.635773536e-01 4.72 -1.560952462e-01 -1.560952462e-01 4.74 -1.488897504e-01 -1.488897504e-01 4.76 -1.419320289e-01 -1.419320289e-01 4.78 -1.351959024e-01 -1.351959024e-01 4.80 -1.286582368e-01 -1.286582368e-01 4.82 -1.223002142e-01 -1.223002142e-01 4.84 -1.161063844e-01 -1.161063844e-01 4.86 -1.100657710e-01 -1.100657710e-01 4.88 -1.041717120e-01 -1.041717120e-01 4.90 -9.842179470e-02 -9.842179470e-02 4.92 -9.281763545e-02 -9.281763545e-02 4.94 -8.736449394e-02 -8.736449394e-02 4.96 -8.207072164e-02 -8.207072164e-02 4.98 -7.694705583e-02 -7.694705583e-02 5.00 -7.200578737e-02 -7.200578737e-02 5.02 -6.725984799e-02 -6.725984799e-02 5.04 -6.272187550e-02 -6.272187550e-02 5.06 -5.840332297e-02 -5.840332297e-02 5.08 -5.431367966e-02 -5.431367966e-02 5.10 -5.045985199e-02 -5.045985199e-02 5.12 -4.684574059e-02 -4.684574059e-02 5.14 -4.347205656e-02 -4.347205656e-02 5.16 -4.033634002e-02 -4.033634002e-02 5.18 -3.743316566e-02 -3.743316566e-02 5.20 -3.475416797e-02 -3.475416797e-02 5.22 -3.228864566e-02 -3.228864566e-02 5.24 -3.002529938e-02 -3.002529938e-02 5.26 -2.795150308e-02 -2.795150308e-02 5.28 -2.605370264e-02 -2.605370264e-02 5.30 -2.431811439e-02 -2.431811439e-02 5.32 -2.273113382e-02 -2.273113382e-02 5.34 -2.127954973e-02 -2.127954973e-02 5.36 -1.995076711e-02 -1.995076711e-02 5.38 -1.873302517e-02 -1.873302517e-02 5.40 -1.761551953e-02 -1.761551953e-02 5.42 -1.658841615e-02 -1.658841615e-02 5.44 -1.564285005e-02 -1.564285005e-02 5.46 -1.477088806e-02 -1.477088806e-02 5.48 -1.396546559e-02 -1.396546559e-02 5.50 -1.322030677e-02 -1.322030677e-02 5.52 -1.252983624e-02 -1.252983624e-02 5.54 -1.188908940e-02 -1.188908940e-02 5.56 -1.129362676e-02 -1.129362676e-02 5.58 -1.073945628e-02 -1.073945628e-02 5.60 -1.022296632e-02 -1.022296632e-02 5.62 -9.740870048e-03 -9.740870048e-03 5.64 -9.290161012e-03 -9.290161012e-03 5.66 -8.868078827e-03 -8.868078827e-03 5.68 -8.472083072e-03 -8.472083072e-03 5.70 -8.099833505e-03 -8.099833505e-03 5.72 -7.749174722e-03 -7.749174722e-03 5.74 -7.418123635e-03 -7.418123635e-03 5.76 -7.104858563e-03 -7.104858563e-03 5.78 -6.807709089e-03 -6.807709089e-03 5.80 -6.525146202e-03 -6.525146202e-03 5.82 -6.255772524e-03 -6.255772524e-03 5.84 -5.998312627e-03 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