# 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 = AgAlMg2 # 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 2.424801755e+02 2.424801755e+02 1.30 2.248121732e+02 2.248121732e+02 1.32 2.084666661e+02 2.084666661e+02 1.34 1.933367360e+02 1.933367360e+02 1.36 1.793250978e+02 1.793250978e+02 1.38 1.663443477e+02 1.663443477e+02 1.40 1.543156995e+02 1.543156995e+02 1.42 1.431667552e+02 1.431667552e+02 1.44 1.328294619e+02 1.328294619e+02 1.46 1.232391657e+02 1.232391657e+02 1.48 1.143351783e+02 1.143351783e+02 1.50 1.060622742e+02 1.060622742e+02 1.52 9.837168812e+01 9.837168812e+01 1.54 9.122069245e+01 9.122069245e+01 1.56 8.457123108e+01 8.457123108e+01 1.58 7.838894007e+01 7.838894007e+01 1.60 7.264250507e+01 7.264250507e+01 1.62 6.730298963e+01 6.730298963e+01 1.64 6.234127867e+01 6.234127867e+01 1.66 5.772925064e+01 5.772925064e+01 1.68 5.344029076e+01 5.344029076e+01 1.70 4.944973411e+01 4.944973411e+01 1.72 4.573524664e+01 4.573524664e+01 1.74 4.227685650e+01 4.227685650e+01 1.76 3.905663617e+01 3.905663617e+01 1.78 3.605828434e+01 3.605828434e+01 1.80 3.326681431e+01 3.326681431e+01 1.82 3.066838883e+01 3.066838883e+01 1.84 2.825022202e+01 2.825022202e+01 1.86 2.600048717e+01 2.600048717e+01 1.88 2.390818322e+01 2.390818322e+01 1.90 2.196296722e+01 2.196296722e+01 1.92 2.015497931e+01 2.015497931e+01 1.94 1.847470795e+01 1.847470795e+01 1.96 1.691294661e+01 1.691294661e+01 1.98 1.546086215e+01 1.546086215e+01 2.00 1.411014535e+01 1.411014535e+01 2.02 1.285317418e+01 1.285317418e+01 2.04 1.168311507e+01 1.168311507e+01 2.06 1.059391459e+01 1.059391459e+01 2.08 9.580188815e+00 9.580188815e+00 2.10 8.637066631e+00 8.637066631e+00 2.12 7.760044055e+00 7.760044055e+00 2.14 6.944885212e+00 6.944885212e+00 2.16 6.187574061e+00 6.187574061e+00 2.18 5.484300843e+00 5.484300843e+00 2.20 4.831469372e+00 4.831469372e+00 2.22 4.225707274e+00 4.225707274e+00 2.24 3.663875399e+00 3.663875399e+00 2.26 3.143071704e+00 3.143071704e+00 2.28 2.660626556e+00 2.660626556e+00 2.30 2.214095296e+00 2.214095296e+00 2.32 1.801238334e+00 1.801238334e+00 2.34 1.420001962e+00 1.420001962e+00 2.36 1.068492379e+00 1.068492379e+00 2.38 7.449507170e-01 7.449507170e-01 2.40 4.477278640e-01 4.477278640e-01 2.42 1.752594545e-01 1.752594545e-01 2.44 -7.395556129e-02 -7.395556129e-02 2.46 -3.013743436e-01 -3.013743436e-01 2.48 -5.084238258e-01 -5.084238258e-01 2.50 -6.965094997e-01 -6.965094997e-01 2.52 -8.670200794e-01 -8.670200794e-01 2.54 -1.021329298e+00 -1.021329298e+00 2.56 -1.160949546e+00 -1.160949546e+00 2.58 -1.287851402e+00 -1.287851402e+00 2.60 -1.403117888e+00 -1.403117888e+00 2.62 -1.507713073e+00 -1.507713073e+00 2.64 -1.602562787e+00 -1.602562787e+00 2.66 -1.688508873e+00 -1.688508873e+00 2.68 -1.766278611e+00 -1.766278611e+00 2.70 -1.836472543e+00 -1.836472543e+00 2.72 -1.899573567e+00 -1.899573567e+00 2.74 -1.955984337e+00 -1.955984337e+00 2.76 -2.006123163e+00 -2.006123163e+00 2.78 -2.050237679e+00 -2.050237679e+00 2.80 -2.088515723e+00 -2.088515723e+00 2.82 -2.121146060e+00 -2.121146060e+00 2.84 -2.148323937e+00 -2.148323937e+00 2.86 -2.170251892e+00 -2.170251892e+00 2.88 -2.187139502e+00 -2.187139502e+00 2.90 -2.199203207e+00 -2.199203207e+00 2.92 -2.206667463e+00 -2.206667463e+00 2.94 -2.209771104e+00 -2.209771104e+00 2.96 -2.208771146e+00 -2.208771146e+00 2.98 -2.203943884e+00 -2.203943884e+00 3.00 -2.195590078e+00 -2.195590078e+00 3.02 -2.184038056e+00 -2.184038056e+00 3.04 -2.169642218e+00 -2.169642218e+00 3.06 -2.152777139e+00 -2.152777139e+00 3.08 -2.133822993e+00 -2.133822993e+00 3.10 -2.113150059e+00 -2.113150059e+00 3.12 -2.091100479e+00 -2.091100479e+00 3.14 -2.067975190e+00 -2.067975190e+00 3.16 -2.044022618e+00 -2.044022618e+00 3.18 -2.019438332e+00 -2.019438332e+00 3.20 -1.994389581e+00 -1.994389581e+00 3.22 -1.968986197e+00 -1.968986197e+00 3.24 -1.943279682e+00 -1.943279682e+00 3.26 -1.917305561e+00 -1.917305561e+00 3.28 -1.891091055e+00 -1.891091055e+00 3.30 -1.864660559e+00 -1.864660559e+00 3.32 -1.838038749e+00 -1.838038749e+00 3.34 -1.811251720e+00 -1.811251720e+00 3.36 -1.784326890e+00 -1.784326890e+00 3.38 -1.757292108e+00 -1.757292108e+00 3.40 -1.730162364e+00 -1.730162364e+00 3.42 -1.702928315e+00 -1.702928315e+00 3.44 -1.675584830e+00 -1.675584830e+00 3.46 -1.648133989e+00 -1.648133989e+00 3.48 -1.620584269e+00 -1.620584269e+00 3.50 -1.592949717e+00 -1.592949717e+00 3.52 -1.565248989e+00 -1.565248989e+00 3.54 -1.537504282e+00 -1.537504282e+00 3.56 -1.509740232e+00 -1.509740232e+00 3.58 -1.481982844e+00 -1.481982844e+00 3.60 -1.454258528e+00 -1.454258528e+00 3.62 -1.426593276e+00 -1.426593276e+00 3.64 -1.399011999e+00 -1.399011999e+00 3.66 -1.371538034e+00 -1.371538034e+00 3.68 -1.344192816e+00 -1.344192816e+00 3.70 -1.316995714e+00 -1.316995714e+00 3.72 -1.289963999e+00 -1.289963999e+00 3.74 -1.263112950e+00 -1.263112950e+00 3.76 -1.236456057e+00 -1.236456057e+00 3.78 -1.210005281e+00 -1.210005281e+00 3.80 -1.183771345e+00 -1.183771345e+00 3.82 -1.157763979e+00 -1.157763979e+00 3.84 -1.131992084e+00 -1.131992084e+00 3.86 -1.106463752e+00 -1.106463752e+00 3.88 -1.081186152e+00 -1.081186152e+00 3.90 -1.056165277e+00 -1.056165277e+00 3.92 -1.031405456e+00 -1.031405456e+00 3.94 -1.006909717e+00 -1.006909717e+00 3.96 -9.826784812e-01 -9.826784812e-01 3.98 -9.587102241e-01 -9.587102241e-01 4.00 -9.350013629e-01 -9.350013629e-01 4.02 -9.115465148e-01 -9.115465148e-01 4.04 -8.883389155e-01 -8.883389155e-01 4.06 -8.653709709e-01 -8.653709709e-01 4.08 -8.426349237e-01 -8.426349237e-01 4.10 -8.201230417e-01 -8.201230417e-01 4.12 -7.978309191e-01 -7.978309191e-01 4.14 -7.757545605e-01 -7.757545605e-01 4.16 -7.538940939e-01 -7.538940939e-01 4.18 -7.322540237e-01 -7.322540237e-01 4.20 -7.108441184e-01 -7.108441184e-01 4.22 -6.896800943e-01 -6.896800943e-01 4.24 -6.687839665e-01 -6.687839665e-01 4.26 -6.481839418e-01 -6.481839418e-01 4.28 -6.279137536e-01 -6.279137536e-01 4.30 -6.080113970e-01 -6.080113970e-01 4.32 -5.885173023e-01 -5.885173023e-01 4.34 -5.694720720e-01 -5.694720720e-01 4.36 -5.509139914e-01 -5.509139914e-01 4.38 -5.328765715e-01 -5.328765715e-01 4.40 -5.153863886e-01 -5.153863886e-01 4.42 -4.984614472e-01 -4.984614472e-01 4.44 -4.821102061e-01 -4.821102061e-01 4.46 -4.663313109e-01 -4.663313109e-01 4.48 -4.511139791e-01 -4.511139791e-01 4.50 -4.364389092e-01 -4.364389092e-01 4.52 -4.222795454e-01 -4.222795454e-01 4.54 -4.086035268e-01 -4.086035268e-01 4.56 -3.953741678e-01 -3.953741678e-01 4.58 -3.825518581e-01 -3.825518581e-01 4.60 -3.700953135e-01 -3.700953135e-01 4.62 -3.579626487e-01 -3.579626487e-01 4.64 -3.461122774e-01 -3.461122774e-01 4.66 -3.345036656e-01 -3.345036656e-01 4.68 -3.230979788e-01 -3.230979788e-01 4.70 -3.118586658e-01 -3.118586658e-01 4.72 -3.007520208e-01 -3.007520208e-01 4.74 -2.897477564e-01 -2.897477564e-01 4.76 -2.788196100e-01 -2.788196100e-01 4.78 -2.679459905e-01 -2.679459905e-01 4.80 -2.571102871e-01 -2.571102871e-01 4.82 -2.463030876e-01 -2.463030876e-01 4.84 -2.355204035e-01 -2.355204035e-01 4.86 -2.247658890e-01 -2.247658890e-01 4.88 -2.140507447e-01 -2.140507447e-01 4.90 -2.033938024e-01 -2.033938024e-01 4.92 -1.928212716e-01 -1.928212716e-01 4.94 -1.823660885e-01 -1.823660885e-01 4.96 -1.720668446e-01 -1.720668446e-01 4.98 -1.619663100e-01 -1.619663100e-01 5.00 -1.521096195e-01 -1.521096195e-01 5.02 -1.425422346e-01 -1.425422346e-01 5.04 -1.333078312e-01 -1.333078312e-01 5.06 -1.244462817e-01 -1.244462817e-01 5.08 -1.159918929e-01 -1.159918929e-01 5.10 -1.079720359e-01 -1.079720359e-01 5.12 -1.004062571e-01 -1.004062571e-01 5.14 -9.330590321e-02 -9.330590321e-02 5.16 -8.667424185e-02 -8.667424185e-02 5.18 -8.050700853e-02 -8.050700853e-02 5.20 -7.479328446e-02 -7.479328446e-02 5.22 -6.951659280e-02 -6.951659280e-02 5.24 -6.465610810e-02 -6.465610810e-02 5.26 -6.018786636e-02 -6.018786636e-02 5.28 -5.608589225e-02 -5.608589225e-02 5.30 -5.232325085e-02 -5.232325085e-02 5.32 -4.887291904e-02 -4.887291904e-02 5.34 -4.570848825e-02 -4.570848825e-02 5.36 -4.280416365e-02 -4.280416365e-02 5.38 -4.013526599e-02 -4.013526599e-02 5.40 -3.768074395e-02 -3.768074395e-02 5.42 -3.542112693e-02 -3.542112693e-02 5.44 -3.333856257e-02 -3.333856257e-02 5.46 -3.141686226e-02 -3.141686226e-02 5.48 -2.964145330e-02 -2.964145330e-02 5.50 -2.799926832e-02 -2.799926832e-02 5.52 -2.647859763e-02 -2.647859763e-02 5.54 -2.506892562e-02 -2.506892562e-02 5.56 -2.376076759e-02 -2.376076759e-02 5.58 -2.254551907e-02 -2.254551907e-02 5.60 -2.141532496e-02 -2.141532496e-02 5.62 -2.036297199e-02 -2.036297199e-02 5.64 -1.938180469e-02 -1.938180469e-02 5.66 -1.846566233e-02 -1.846566233e-02 5.68 -1.760883322e-02 -1.760883322e-02 5.70 -1.680602173e-02 -1.680602173e-02 5.72 -1.605232388e-02 -1.605232388e-02 5.74 -1.534320729e-02 -1.534320729e-02 5.76 -1.467445668e-02 -1.467445668e-02 5.78 -1.404221706e-02 -1.404221706e-02 5.80 -1.344297911e-02 -1.344297911e-02 5.82 -1.287353312e-02 -1.287353312e-02 5.84 -1.233094948e-02 -1.233094948e-02 5.86 -1.181255890e-02 -1.181255890e-02 5.88 -1.131593271e-02 -1.131593271e-02 5.90 -1.083886409e-02 -1.083886409e-02 5.92 -1.037935056e-02 -1.037935056e-02 5.94 -9.935578532e-03 -9.935578532e-03 5.96 -9.505910041e-03 -9.505910041e-03 5.98 -9.088872127e-03 -9.088872127e-03 6.00 -8.683148934e-03 -8.683148934e-03