# 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 = AlCo2Ni # 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 1.077336859e+02 1.077336859e+02 1.30 9.899340698e+01 9.899340698e+01 1.32 9.093759903e+01 9.093759903e+01 1.34 8.350754688e+01 8.350754688e+01 1.36 7.665099956e+01 7.665099956e+01 1.38 7.032257862e+01 7.032257862e+01 1.40 6.448228779e+01 6.448228779e+01 1.42 5.909331783e+01 5.909331783e+01 1.44 5.412019641e+01 5.412019641e+01 1.46 4.952818638e+01 4.952818638e+01 1.48 4.528424043e+01 4.528424043e+01 1.50 4.135852890e+01 4.135852890e+01 1.52 3.772516576e+01 3.772516576e+01 1.54 3.436180321e+01 3.436180321e+01 1.56 3.124870849e+01 3.124870849e+01 1.58 2.836790673e+01 2.836790673e+01 1.60 2.570302859e+01 2.570302859e+01 1.62 2.323969268e+01 2.323969268e+01 1.64 2.096333932e+01 2.096333932e+01 1.66 1.886139978e+01 1.886139978e+01 1.68 1.692042691e+01 1.692042691e+01 1.70 1.512787027e+01 1.512787027e+01 1.72 1.347238401e+01 1.347238401e+01 1.74 1.194371066e+01 1.194371066e+01 1.76 1.053243859e+01 1.053243859e+01 1.78 9.229855408e+00 9.229855408e+00 1.80 8.027981672e+00 8.027981672e+00 1.82 6.919669139e+00 6.919669139e+00 1.84 5.898600035e+00 5.898600035e+00 1.86 4.959128939e+00 4.959128939e+00 1.88 4.096021572e+00 4.096021572e+00 1.90 3.304187243e+00 3.304187243e+00 1.92 2.578493617e+00 2.578493617e+00 1.94 1.913723814e+00 1.913723814e+00 1.96 1.304684510e+00 1.304684510e+00 1.98 7.464096374e-01 7.464096374e-01 2.00 2.343690912e-01 2.343690912e-01 2.02 -2.353936062e-01 -2.353936062e-01 2.04 -6.662309657e-01 -6.662309657e-01 2.06 -1.060962332e+00 -1.060962332e+00 2.08 -1.422005170e+00 -1.422005170e+00 2.10 -1.751514241e+00 -1.751514241e+00 2.12 -2.051490193e+00 -2.051490193e+00 2.14 -2.323843108e+00 -2.323843108e+00 2.16 -2.570414581e+00 -2.570414581e+00 2.18 -2.792971299e+00 -2.792971299e+00 2.20 -2.993186835e+00 -2.993186835e+00 2.22 -3.172627106e+00 -3.172627106e+00 2.24 -3.332747993e+00 -3.332747993e+00 2.26 -3.474904870e+00 -3.474904870e+00 2.28 -3.600368510e+00 -3.600368510e+00 2.30 -3.710340852e+00 -3.710340852e+00 2.32 -3.805965144e+00 -3.805965144e+00 2.34 -3.888325860e+00 -3.888325860e+00 2.36 -3.958437550e+00 -3.958437550e+00 2.38 -4.017227695e+00 -4.017227695e+00 2.40 -4.065545312e+00 -4.065545312e+00 2.42 -4.104198087e+00 -4.104198087e+00 2.44 -4.133754693e+00 -4.133754693e+00 2.46 -4.154735041e+00 -4.154735041e+00 2.48 -4.167664887e+00 -4.167664887e+00 2.50 -4.173093860e+00 -4.173093860e+00 2.52 -4.171605077e+00 -4.171605077e+00 2.54 -4.163819916e+00 -4.163819916e+00 2.56 -4.150431158e+00 -4.150431158e+00 2.58 -4.132730302e+00 -4.132730302e+00 2.60 -4.111102305e+00 -4.111102305e+00 2.62 -4.085650895e+00 -4.085650895e+00 2.64 -4.056582994e+00 -4.056582994e+00 2.66 -4.024149903e+00 -4.024149903e+00 2.68 -3.988600472e+00 -3.988600472e+00 2.70 -3.950154727e+00 -3.950154727e+00 2.72 -3.908999839e+00 -3.908999839e+00 2.74 -3.865308842e+00 -3.865308842e+00 2.76 -3.819239827e+00 -3.819239827e+00 2.78 -3.770935857e+00 -3.770935857e+00 2.80 -3.720528291e+00 -3.720528291e+00 2.82 -3.668136228e+00 -3.668136228e+00 2.84 -3.613865164e+00 -3.613865164e+00 2.86 -3.557807261e+00 -3.557807261e+00 2.88 -3.500044354e+00 -3.500044354e+00 2.90 -3.440653710e+00 -3.440653710e+00 2.92 -3.379716079e+00 -3.379716079e+00 2.94 -3.317325462e+00 -3.317325462e+00 2.96 -3.253599856e+00 -3.253599856e+00 2.98 -3.188691637e+00 -3.188691637e+00 3.00 -3.122795472e+00 -3.122795472e+00 3.02 -3.056151013e+00 -3.056151013e+00 3.04 -2.989037907e+00 -2.989037907e+00 3.06 -2.921762217e+00 -2.921762217e+00 3.08 -2.854635836e+00 -2.854635836e+00 3.10 -2.787953157e+00 -2.787953157e+00 3.12 -2.721970202e+00 -2.721970202e+00 3.14 -2.656890707e+00 -2.656890707e+00 3.16 -2.592861041e+00 -2.592861041e+00 3.18 -2.529973429e+00 -2.529973429e+00 3.20 -2.468274839e+00 -2.468274839e+00 3.22 -2.407778484e+00 -2.407778484e+00 3.24 -2.348475302e+00 -2.348475302e+00 3.26 -2.290343722e+00 -2.290343722e+00 3.28 -2.233356974e+00 -2.233356974e+00 3.30 -2.177487920e+00 -2.177487920e+00 3.32 -2.122711785e+00 -2.122711785e+00 3.34 -2.069007313e+00 -2.069007313e+00 3.36 -2.016356886e+00 -2.016356886e+00 3.38 -1.964746021e+00 -1.964746021e+00 3.40 -1.914162587e+00 -1.914162587e+00 3.42 -1.864595933e+00 -1.864595933e+00 3.44 -1.816036039e+00 -1.816036039e+00 3.46 -1.768472788e+00 -1.768472788e+00 3.48 -1.721895338e+00 -1.721895338e+00 3.50 -1.676291640e+00 -1.676291640e+00 3.52 -1.631648067e+00 -1.631648067e+00 3.54 -1.587949169e+00 -1.587949169e+00 3.56 -1.545177534e+00 -1.545177534e+00 3.58 -1.503313762e+00 -1.503313762e+00 3.60 -1.462336545e+00 -1.462336545e+00 3.62 -1.422222873e+00 -1.422222873e+00 3.64 -1.382948376e+00 -1.382948376e+00 3.66 -1.344487826e+00 -1.344487826e+00 3.68 -1.306815809e+00 -1.306815809e+00 3.70 -1.269907558e+00 -1.269907558e+00 3.72 -1.233739931e+00 -1.233739931e+00 3.74 -1.198292456e+00 -1.198292456e+00 3.76 -1.163548359e+00 -1.163548359e+00 3.78 -1.129495434e+00 -1.129495434e+00 3.80 -1.096126612e+00 -1.096126612e+00 3.82 -1.063440078e+00 -1.063440078e+00 3.84 -1.031438816e+00 -1.031438816e+00 3.86 -1.000129528e+00 -1.000129528e+00 3.88 -9.695209523e-01 -9.695209523e-01 3.90 -9.396217574e-01 -9.396217574e-01 3.92 -9.104382315e-01 -9.104382315e-01 3.94 -8.819721194e-01 -8.819721194e-01 3.96 -8.542188489e-01 -8.542188489e-01 3.98 -8.271664549e-01 -8.271664549e-01 4.00 -8.007952578e-01 -8.007952578e-01 4.02 -7.750783103e-01 -7.750783103e-01 4.04 -7.499824910e-01 -7.499824910e-01 4.06 -7.254700788e-01 -7.254700788e-01 4.08 -7.015006300e-01 -7.015006300e-01 4.10 -6.780330014e-01 -6.780330014e-01 4.12 -6.550274619e-01 -6.550274619e-01 4.14 -6.324476769e-01 -6.324476769e-01 4.16 -6.102626886e-01 -6.102626886e-01 4.18 -5.884486710e-01 -5.884486710e-01 4.20 -5.669904198e-01 -5.669904198e-01 4.22 -5.458824330e-01 -5.458824330e-01 4.24 -5.251294360e-01 -5.251294360e-01 4.26 -5.047462108e-01 -5.047462108e-01 4.28 -4.847566478e-01 -4.847566478e-01 4.30 -4.651920264e-01 -4.651920264e-01 4.32 -4.460886524e-01 -4.460886524e-01 4.34 -4.274850909e-01 -4.274850909e-01 4.36 -4.094193043e-01 -4.094193043e-01 4.38 -3.919260180e-01 -3.919260180e-01 4.40 -3.750345713e-01 -3.750345713e-01 4.42 -3.587673994e-01 -3.587673994e-01 4.44 -3.431391645e-01 -3.431391645e-01 4.46 -3.281564466e-01 -3.281564466e-01 4.48 -3.138178442e-01 -3.138178442e-01 4.50 -3.001143286e-01 -3.001143286e-01 4.52 -2.870297326e-01 -2.870297326e-01 4.54 -2.745413078e-01 -2.745413078e-01 4.56 -2.626203375e-01 -2.626203375e-01 4.58 -2.512328233e-01 -2.512328233e-01 4.60 -2.403402747e-01 -2.403402747e-01 4.62 -2.299006171e-01 -2.299006171e-01 4.64 -2.198692166e-01 -2.198692166e-01 4.66 -2.101999980e-01 -2.101999980e-01 4.68 -2.008466250e-01 -2.008466250e-01 4.70 -1.917637038e-01 -1.917637038e-01 4.72 -1.829079830e-01 -1.829079830e-01 4.74 -1.742395233e-01 -1.742395233e-01 4.76 -1.657228236e-01 -1.657228236e-01 4.78 -1.573278845e-01 -1.573278845e-01 4.80 -1.490311811e-01 -1.490311811e-01 4.82 -1.408165443e-01 -1.408165443e-01 4.84 -1.326758071e-01 -1.326758071e-01 4.86 -1.246092688e-01 -1.246092688e-01 4.88 -1.166258060e-01 -1.166258060e-01 4.90 -1.087425901e-01 -1.087425901e-01 4.92 -1.009843451e-01 -1.009843451e-01 4.94 -9.338212867e-02 -9.338212867e-02 4.96 -8.597166718e-02 -8.597166718e-02 4.98 -7.879133040e-02 -7.879133040e-02 5.00 -7.187990246e-02 -7.187990246e-02 5.02 -6.527433270e-02 -6.527433270e-02 5.04 -5.900765636e-02 -5.900765636e-02 5.06 -5.310726680e-02 -5.310726680e-02 5.08 -4.759346206e-02 -4.759346206e-02 5.10 -4.247894247e-02 -4.247894247e-02 5.12 -3.776922045e-02 -3.776922045e-02 5.14 -3.346232909e-02 -3.346232909e-02 5.16 -2.954957551e-02 -2.954957551e-02 5.18 -2.601658267e-02 -2.601658267e-02 5.20 -2.284446829e-02 -2.284446829e-02 5.22 -2.001105111e-02 -2.001105111e-02 5.24 -1.749199478e-02 -1.749199478e-02 5.26 -1.526181577e-02 -1.526181577e-02 5.28 -1.329451221e-02 -1.329451221e-02 5.30 -1.156487508e-02 -1.156487508e-02 5.32 -1.004872727e-02 -1.004872727e-02 5.34 -8.723150366e-03 -8.723150366e-03 5.36 -7.566760643e-03 -7.566760643e-03 5.38 -6.559866320e-03 -6.559866320e-03 5.40 -5.684531208e-03 -5.684531208e-03 5.42 -4.924567749e-03 -4.924567749e-03 5.44 -4.265479348e-03 -4.265479348e-03 5.46 -3.694368463e-03 -3.694368463e-03 5.48 -3.199823578e-03 -3.199823578e-03 5.50 -2.771795134e-03 -2.771795134e-03 5.52 -2.401467885e-03 -2.401467885e-03 5.54 -2.081134993e-03 -2.081134993e-03 5.56 -1.804077461e-03 -1.804077461e-03 5.58 -1.564451166e-03 -1.564451166e-03 5.60 -1.357182787e-03 -1.357182787e-03 5.62 -1.177875153e-03 -1.177875153e-03 5.64 -1.022722078e-03 -1.022722078e-03 5.66 -8.884323593e-04 -8.884323593e-04 5.68 -7.721624297e-04 -7.721624297e-04 5.70 -6.714570106e-04 -6.714570106e-04 5.72 -5.841970638e-04 -5.841970638e-04 5.74 -5.085543162e-04 -5.085543162e-04 5.76 -4.429516566e-04 -4.429516566e-04 5.78 -3.860287368e-04 -3.860287368e-04 5.80 -3.366121580e-04 -3.366121580e-04 5.82 -2.936896777e-04 -2.936896777e-04 5.84 -2.563879260e-04 -2.563879260e-04 5.86 -2.239531779e-04 -2.239531779e-04 5.88 -1.957347765e-04 -1.957347765e-04 5.90 -1.711708521e-04 -1.711708521e-04 5.92 -1.497760260e-04 -1.497760260e-04 5.94 -1.311308270e-04 -1.311308270e-04 5.96 -1.148725845e-04 -1.148725845e-04 5.98 -1.006875931e-04 -1.006875931e-04 6.00 -8.830437056e-05 -8.830437056e-05