# 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 = Cu2FeTi # 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 1.510507750e+02 1.510507750e+02 1.30 1.385009492e+02 1.385009492e+02 1.32 1.269653139e+02 1.269653139e+02 1.34 1.163527483e+02 1.163527483e+02 1.36 1.065826693e+02 1.065826693e+02 1.38 9.758473886e+01 9.758473886e+01 1.40 8.929693619e+01 8.929693619e+01 1.42 8.166362840e+01 8.166362840e+01 1.44 7.463427839e+01 7.463427839e+01 1.46 6.816252478e+01 6.816252478e+01 1.48 6.220531769e+01 6.220531769e+01 1.50 5.672231210e+01 5.672231210e+01 1.52 5.167574991e+01 5.167574991e+01 1.54 4.703057847e+01 4.703057847e+01 1.56 4.275446764e+01 4.275446764e+01 1.58 3.881773710e+01 3.881773710e+01 1.60 3.519336638e+01 3.519336638e+01 1.62 3.185711154e+01 3.185711154e+01 1.64 2.878744940e+01 2.878744940e+01 1.66 2.596466567e+01 2.596466567e+01 1.68 2.337039831e+01 2.337039831e+01 1.70 2.098691662e+01 2.098691662e+01 1.72 1.879711630e+01 1.879711630e+01 1.74 1.678457016e+01 1.678457016e+01 1.76 1.493389923e+01 1.493389923e+01 1.78 1.323112231e+01 1.323112231e+01 1.80 1.166384169e+01 1.166384169e+01 1.82 1.022123540e+01 1.022123540e+01 1.84 8.893870197e+00 8.893870197e+00 1.86 7.673396195e+00 7.673396195e+00 1.88 6.552218103e+00 6.552218103e+00 1.90 5.523230571e+00 5.523230571e+00 1.92 4.579662048e+00 4.579662048e+00 1.94 3.715033709e+00 3.715033709e+00 1.96 2.923207575e+00 2.923207575e+00 1.98 2.198468368e+00 2.198468368e+00 2.00 1.535573407e+00 1.535573407e+00 2.02 9.297397668e-01 9.297397668e-01 2.04 3.765900338e-01 3.765900338e-01 2.06 -1.279005336e-01 -1.279005336e-01 2.08 -5.874311105e-01 -5.874311105e-01 2.10 -1.005383057e+00 -1.005383057e+00 2.12 -1.384831017e+00 -1.384831017e+00 2.14 -1.728573772e+00 -1.728573772e+00 2.16 -2.039184198e+00 -2.039184198e+00 2.18 -2.319067186e+00 -2.319067186e+00 2.20 -2.570512825e+00 -2.570512825e+00 2.22 -2.795736603e+00 -2.795736603e+00 2.24 -2.996901948e+00 -2.996901948e+00 2.26 -3.176124925e+00 -3.176124925e+00 2.28 -3.335464054e+00 -3.335464054e+00 2.30 -3.476897207e+00 -3.476897207e+00 2.32 -3.602286554e+00 -3.602286554e+00 2.34 -3.713330802e+00 -3.713330802e+00 2.36 -3.811515082e+00 -3.811515082e+00 2.38 -3.898092737e+00 -3.898092737e+00 2.40 -3.974100621e+00 -3.974100621e+00 2.42 -4.040226960e+00 -4.040226960e+00 2.44 -4.097004475e+00 -4.097004475e+00 2.46 -4.144884058e+00 -4.144884058e+00 2.48 -4.184280954e+00 -4.184280954e+00 2.50 -4.215606841e+00 -4.215606841e+00 2.52 -4.239280981e+00 -4.239280981e+00 2.54 -4.255643363e+00 -4.255643363e+00 2.56 -4.264994495e+00 -4.264994495e+00 2.58 -4.267680918e+00 -4.267680918e+00 2.60 -4.264086546e+00 -4.264086546e+00 2.62 -4.254752278e+00 -4.254752278e+00 2.64 -4.240441567e+00 -4.240441567e+00 2.66 -4.221149812e+00 -4.221149812e+00 2.68 -4.196900087e+00 -4.196900087e+00 2.70 -4.167811684e+00 -4.167811684e+00 2.72 -4.134083410e+00 -4.134083410e+00 2.74 -4.095974593e+00 -4.095974593e+00 2.76 -4.053766599e+00 -4.053766599e+00 2.78 -4.007684047e+00 -4.007684047e+00 2.80 -3.957996700e+00 -3.957996700e+00 2.82 -3.904990186e+00 -3.904990186e+00 2.84 -3.848943954e+00 -3.848943954e+00 2.86 -3.790131903e+00 -3.790131903e+00 2.88 -3.728825031e+00 -3.728825031e+00 2.90 -3.665293324e+00 -3.665293324e+00 2.92 -3.599805672e+00 -3.599805672e+00 2.94 -3.532628029e+00 -3.532628029e+00 2.96 -3.464020848e+00 -3.464020848e+00 2.98 -3.394236790e+00 -3.394236790e+00 3.00 -3.323518967e+00 -3.323518967e+00 3.02 -3.252099045e+00 -3.252099045e+00 3.04 -3.180194235e+00 -3.180194235e+00 3.06 -3.108003021e+00 -3.108003021e+00 3.08 -3.035699908e+00 -3.035699908e+00 3.10 -2.963431798e+00 -2.963431798e+00 3.12 -2.891317142e+00 -2.891317142e+00 3.14 -2.819449202e+00 -2.819449202e+00 3.16 -2.747902198e+00 -2.747902198e+00 3.18 -2.676739756e+00 -2.676739756e+00 3.20 -2.606023136e+00 -2.606023136e+00 3.22 -2.535818095e+00 -2.535818095e+00 3.24 -2.466199425e+00 -2.466199425e+00 3.26 -2.397252825e+00 -2.397252825e+00 3.28 -2.329074201e+00 -2.329074201e+00 3.30 -2.261766781e+00 -2.261766781e+00 3.32 -2.195436675e+00 -2.195436675e+00 3.34 -2.130187625e+00 -2.130187625e+00 3.36 -2.066115768e+00 -2.066115768e+00 3.38 -2.003305168e+00 -2.003305168e+00 3.40 -1.941824664e+00 -1.941824664e+00 3.42 -1.881726504e+00 -1.881726504e+00 3.44 -1.823046516e+00 -1.823046516e+00 3.46 -1.765805932e+00 -1.765805932e+00 3.48 -1.710014089e+00 -1.710014089e+00 3.50 -1.655671454e+00 -1.655671454e+00 3.52 -1.602772286e+00 -1.602772286e+00 3.54 -1.551306357e+00 -1.551306357e+00 3.56 -1.501259469e+00 -1.501259469e+00 3.58 -1.452612873e+00 -1.452612873e+00 3.60 -1.405342070e+00 -1.405342070e+00 3.62 -1.359415734e+00 -1.359415734e+00 3.64 -1.314795424e+00 -1.314795424e+00 3.66 -1.271436520e+00 -1.271436520e+00 3.68 -1.229290429e+00 -1.229290429e+00 3.70 -1.188307748e+00 -1.188307748e+00 3.72 -1.148441848e+00 -1.148441848e+00 3.74 -1.109652295e+00 -1.109652295e+00 3.76 -1.071907605e+00 -1.071907605e+00 3.78 -1.035186910e+00 -1.035186910e+00 3.80 -9.994803288e-01 -9.994803288e-01 3.82 -9.647879306e-01 -9.647879306e-01 3.84 -9.311174185e-01 -9.311174185e-01 3.86 -8.984807972e-01 -8.984807972e-01 3.88 -8.668904727e-01 -8.668904727e-01 3.90 -8.363553213e-01 -8.363553213e-01 3.92 -8.068772369e-01 -8.068772369e-01 3.94 -7.784487455e-01 -7.784487455e-01 3.96 -7.510515119e-01 -7.510515119e-01 3.98 -7.246563249e-01 -7.246563249e-01 4.00 -6.992239472e-01 -6.992239472e-01 4.02 -6.747067192e-01 -6.747067192e-01 4.04 -6.510505546e-01 -6.510505546e-01 4.06 -6.281970302e-01 -6.281970302e-01 4.08 -6.060853535e-01 -6.060853535e-01 4.10 -5.846540205e-01 -5.846540205e-01 4.12 -5.638425015e-01 -5.638425015e-01 4.14 -5.435920062e-01 -5.435920062e-01 4.16 -5.238467345e-01 -5.238467345e-01 4.18 -5.045546505e-01 -5.045546505e-01 4.20 -4.856682927e-01 -4.856682927e-01 4.22 -4.671456114e-01 -4.671456114e-01 4.24 -4.489508690e-01 -4.489508690e-01 4.26 -4.310556106e-01 -4.310556106e-01 4.28 -4.134396681e-01 -4.134396681e-01 4.30 -3.960921228e-01 -3.960921228e-01 4.32 -3.790121079e-01 -3.790121079e-01 4.34 -3.622093073e-01 -3.622093073e-01 4.36 -3.457039871e-01 -3.457039871e-01 4.38 -3.295264173e-01 -3.295264173e-01 4.40 -3.137155810e-01 -3.137155810e-01 4.42 -2.983171489e-01 -2.983171489e-01 4.44 -2.833808001e-01 -2.833808001e-01 4.46 -2.689570752e-01 -2.689570752e-01 4.48 -2.550940397e-01 -2.550940397e-01 4.50 -2.418340889e-01 -2.418340889e-01 4.52 -2.292112157e-01 -2.292112157e-01 4.54 -2.172490075e-01 -2.172490075e-01 4.56 -2.059595270e-01 -2.059595270e-01 4.58 -1.953431127e-01 -1.953431127e-01 4.60 -1.853890114e-01 -1.853890114e-01 4.62 -1.760766718e-01 -1.760766718e-01 4.64 -1.673774769e-01 -1.673774769e-01 4.66 -1.592566892e-01 -1.592566892e-01 4.68 -1.516754132e-01 -1.516754132e-01 4.70 -1.445924183e-01 -1.445924183e-01 4.72 -1.379654896e-01 -1.379654896e-01 4.74 -1.317532412e-01 -1.317532412e-01 4.76 -1.259160427e-01 -1.259160427e-01 4.78 -1.204164762e-01 -1.204164762e-01 4.80 -1.152198659e-01 -1.152198659e-01 4.82 -1.102948202e-01 -1.102948202e-01 4.84 -1.056131692e-01 -1.056131692e-01 4.86 -1.011502515e-01 -1.011502515e-01 4.88 -9.688487408e-02 -9.688487408e-02 4.90 -9.279925315e-02 -9.279925315e-02 4.92 -8.887889426e-02 -8.887889426e-02 4.94 -8.511240939e-02 -8.511240939e-02 4.96 -8.149126635e-02 -8.149126635e-02 4.98 -7.800946214e-02 -7.800946214e-02 5.00 -7.466312361e-02 -7.466312361e-02 5.02 -7.145004126e-02 -7.145004126e-02 5.04 -6.836915589e-02 -6.836915589e-02 5.06 -6.542002848e-02 -6.542002848e-02 5.08 -6.260232021e-02 -6.260232021e-02 5.10 -5.991509857e-02 -5.991509857e-02 5.12 -5.735705331e-02 -5.735705331e-02 5.14 -5.492605701e-02 -5.492605701e-02 5.16 -5.261887059e-02 -5.261887059e-02 5.18 -5.043115300e-02 -5.043115300e-02 5.20 -4.835756635e-02 -4.835756635e-02 5.22 -4.639194811e-02 -4.639194811e-02 5.24 -4.452751988e-02 -4.452751988e-02 5.26 -4.275710554e-02 -4.275710554e-02 5.28 -4.107333729e-02 -4.107333729e-02 5.30 -3.946883516e-02 -3.946883516e-02 5.32 -3.793635264e-02 -3.793635264e-02 5.34 -3.646888665e-02 -3.646888665e-02 5.36 -3.505975416e-02 -3.505975416e-02 5.38 -3.370264061e-02 -3.370264061e-02 5.40 -3.239162638e-02 -3.239162638e-02 5.42 -3.112119774e-02 -3.112119774e-02 5.44 -2.988624873e-02 -2.988624873e-02 5.46 -2.868207932e-02 -2.868207932e-02 5.48 -2.750439447e-02 -2.750439447e-02 5.50 -2.634930772e-02 -2.634930772e-02 5.52 -2.521335183e-02 -2.521335183e-02 5.54 -2.409349827e-02 -2.409349827e-02 5.56 -2.298718531e-02 -2.298718531e-02 5.58 -2.189235485e-02 -2.189235485e-02 5.60 -2.080749555e-02 -2.080749555e-02 5.62 -1.973168891e-02 -1.973168891e-02 5.64 -1.866465366e-02 -1.866465366e-02 5.66 -1.760678250e-02 -1.760678250e-02 5.68 -1.655916442e-02 -1.655916442e-02 5.70 -1.552358542e-02 -1.552358542e-02 5.72 -1.450250085e-02 -1.450250085e-02 5.74 -1.349897434e-02 -1.349897434e-02 5.76 -1.251657834e-02 -1.251657834e-02 5.78 -1.155915360e-02 -1.155915360e-02 5.80 -1.063084554e-02 -1.063084554e-02 5.82 -9.735905513e-03 -9.735905513e-03 5.84 -8.878413897e-03 -8.878413897e-03 5.86 -8.062090185e-03 -8.062090185e-03 5.88 -7.290123404e-03 -7.290123404e-03 5.90 -6.565035923e-03 -6.565035923e-03 5.92 -5.888590077e-03 -5.888590077e-03 5.94 -5.261742380e-03 -5.261742380e-03 5.96 -4.684645087e-03 -4.684645087e-03 5.98 -4.156690358e-03 -4.156690358e-03 6.00 -3.676588862e-03 -3.676588862e-03