# 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 = FePtTi2 # 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 2.959729005e+02 2.959729005e+02 1.30 2.742030430e+02 2.742030430e+02 1.32 2.540331587e+02 2.540331587e+02 1.34 2.353454556e+02 2.353454556e+02 1.36 2.180288405e+02 2.180288405e+02 1.38 2.019749842e+02 2.019749842e+02 1.40 1.870786574e+02 1.870786574e+02 1.42 1.732408319e+02 1.732408319e+02 1.44 1.603717237e+02 1.603717237e+02 1.46 1.483924787e+02 1.483924787e+02 1.48 1.372352875e+02 1.372352875e+02 1.50 1.268417745e+02 1.268417745e+02 1.52 1.171600205e+02 1.171600205e+02 1.54 1.081415572e+02 1.081415572e+02 1.56 9.973959348e+01 9.973959348e+01 1.58 9.190861916e+01 9.190861916e+01 1.60 8.460488197e+01 8.460488197e+01 1.62 7.778726762e+01 7.778726762e+01 1.64 7.141823629e+01 7.141823629e+01 1.66 6.546453495e+01 6.546453495e+01 1.68 5.989753302e+01 5.989753302e+01 1.70 5.469306022e+01 5.469306022e+01 1.72 4.983054665e+01 4.983054665e+01 1.74 4.529142598e+01 4.529142598e+01 1.76 4.105735644e+01 4.105735644e+01 1.78 3.710921033e+01 3.710921033e+01 1.80 3.342990542e+01 3.342990542e+01 1.82 3.004368674e+01 3.004368674e+01 1.84 2.694081295e+01 2.694081295e+01 1.86 2.409579423e+01 2.409579423e+01 1.88 2.148584584e+01 2.148584584e+01 1.90 1.909055804e+01 1.909055804e+01 1.92 1.689161993e+01 1.689161993e+01 1.94 1.487259749e+01 1.487259749e+01 1.96 1.301871534e+01 1.301871534e+01 1.98 1.131662815e+01 1.131662815e+01 2.00 9.754213784e+00 9.754213784e+00 2.02 8.320410443e+00 8.320410443e+00 2.04 7.005097921e+00 7.005097921e+00 2.06 5.799017053e+00 5.799017053e+00 2.08 4.693717756e+00 4.693717756e+00 2.10 3.681512649e+00 3.681512649e+00 2.12 2.755408072e+00 2.755408072e+00 2.14 1.909008185e+00 1.909008185e+00 2.16 1.136414281e+00 1.136414281e+00 2.18 4.321455873e-01 4.321455873e-01 2.20 -2.089099629e-01 -2.089099629e-01 2.22 -7.915241608e-01 -7.915241608e-01 2.24 -1.320145785e+00 -1.320145785e+00 2.26 -1.798911155e+00 -1.798911155e+00 2.28 -2.231650429e+00 -2.231650429e+00 2.30 -2.621893779e+00 -2.621893779e+00 2.32 -2.972884937e+00 -2.972884937e+00 2.34 -3.287601722e+00 -3.287601722e+00 2.36 -3.568781837e+00 -3.568781837e+00 2.38 -3.818950526e+00 -3.818950526e+00 2.40 -4.040449705e+00 -4.040449705e+00 2.42 -4.235467412e+00 -4.235467412e+00 2.44 -4.406064547e+00 -4.406064547e+00 2.46 -4.554197460e+00 -4.554197460e+00 2.48 -4.681735781e+00 -4.681735781e+00 2.50 -4.790475135e+00 -4.790475135e+00 2.52 -4.882141468e+00 -4.882141468e+00 2.54 -4.958382348e+00 -4.958382348e+00 2.56 -5.021438467e+00 -5.021438467e+00 2.58 -5.073457233e+00 -5.073457233e+00 2.60 -5.115325784e+00 -5.115325784e+00 2.62 -5.147807706e+00 -5.147807706e+00 2.64 -5.171554897e+00 -5.171554897e+00 2.66 -5.187206541e+00 -5.187206541e+00 2.68 -5.195143423e+00 -5.195143423e+00 2.70 -5.195653541e+00 -5.195653541e+00 2.72 -5.189011526e+00 -5.189011526e+00 2.74 -5.175486358e+00 -5.175486358e+00 2.76 -5.155346379e+00 -5.155346379e+00 2.78 -5.128862949e+00 -5.128862949e+00 2.80 -5.096314216e+00 -5.096314216e+00 2.82 -5.057927735e+00 -5.057927735e+00 2.84 -5.013809457e+00 -5.013809457e+00 2.86 -4.964111500e+00 -4.964111500e+00 2.88 -4.909061208e+00 -4.909061208e+00 2.90 -4.848963117e+00 -4.848963117e+00 2.92 -4.784201416e+00 -4.784201416e+00 2.94 -4.715229341e+00 -4.715229341e+00 2.96 -4.642566595e+00 -4.642566595e+00 2.98 -4.566785292e+00 -4.566785292e+00 3.00 -4.488487062e+00 -4.488487062e+00 3.02 -4.408273703e+00 -4.408273703e+00 3.04 -4.326714471e+00 -4.326714471e+00 3.06 -4.244315421e+00 -4.244315421e+00 3.08 -4.161493624e+00 -4.161493624e+00 3.10 -4.078516469e+00 -4.078516469e+00 3.12 -3.995511507e+00 -3.995511507e+00 3.14 -3.912544870e+00 -3.912544870e+00 3.16 -3.829642885e+00 -3.829642885e+00 3.18 -3.746813310e+00 -3.746813310e+00 3.20 -3.664064140e+00 -3.664064140e+00 3.22 -3.581417822e+00 -3.581417822e+00 3.24 -3.498919703e+00 -3.498919703e+00 3.26 -3.416640902e+00 -3.416640902e+00 3.28 -3.334676499e+00 -3.334676499e+00 3.30 -3.253140331e+00 -3.253140331e+00 3.32 -3.172165506e+00 -3.172165506e+00 3.34 -3.091927664e+00 -3.091927664e+00 3.36 -3.012601116e+00 -3.012601116e+00 3.38 -2.934338640e+00 -2.934338640e+00 3.40 -2.857269670e+00 -2.857269670e+00 3.42 -2.781500509e+00 -2.781500509e+00 3.44 -2.707116213e+00 -2.707116213e+00 3.46 -2.634184410e+00 -2.634184410e+00 3.48 -2.562759872e+00 -2.562759872e+00 3.50 -2.492889111e+00 -2.492889111e+00 3.52 -2.424613956e+00 -2.424613956e+00 3.54 -2.357973255e+00 -2.357973255e+00 3.56 -2.293002288e+00 -2.293002288e+00 3.58 -2.229730080e+00 -2.229730080e+00 3.60 -2.168175437e+00 -2.168175437e+00 3.62 -2.108342919e+00 -2.108342919e+00 3.64 -2.050219972e+00 -2.050219972e+00 3.66 -1.993776001e+00 -1.993776001e+00 3.68 -1.938963578e+00 -1.938963578e+00 3.70 -1.885721378e+00 -1.885721378e+00 3.72 -1.833978106e+00 -1.833978106e+00 3.74 -1.783656680e+00 -1.783656680e+00 3.76 -1.734678033e+00 -1.734678033e+00 3.78 -1.686964208e+00 -1.686964208e+00 3.80 -1.640440602e+00 -1.640440602e+00 3.82 -1.595037404e+00 -1.595037404e+00 3.84 -1.550690332e+00 -1.550690332e+00 3.86 -1.507340831e+00 -1.507340831e+00 3.88 -1.464935879e+00 -1.464935879e+00 3.90 -1.423427561e+00 -1.423427561e+00 3.92 -1.382772486e+00 -1.382772486e+00 3.94 -1.342931472e+00 -1.342931472e+00 3.96 -1.303868833e+00 -1.303868833e+00 3.98 -1.265552411e+00 -1.265552411e+00 4.00 -1.227953593e+00 -1.227953593e+00 4.02 -1.191047676e+00 -1.191047676e+00 4.04 -1.154814511e+00 -1.154814511e+00 4.06 -1.119239371e+00 -1.119239371e+00 4.08 -1.084313932e+00 -1.084313932e+00 4.10 -1.050037106e+00 -1.050037106e+00 4.12 -1.016416192e+00 -1.016416192e+00 4.14 -9.834664159e-01 -9.834664159e-01 4.16 -9.512110431e-01 -9.512110431e-01 4.18 -9.196800813e-01 -9.196800813e-01 4.20 -8.889083180e-01 -8.889083180e-01 4.22 -8.589326629e-01 -8.589326629e-01 4.24 -8.297890348e-01 -8.297890348e-01 4.26 -8.015091344e-01 -8.015091344e-01 4.28 -7.741174812e-01 -7.741174812e-01 4.30 -7.476290599e-01 -7.476290599e-01 4.32 -7.220478174e-01 -7.220478174e-01 4.34 -6.973661089e-01 -6.973661089e-01 4.36 -6.735650462e-01 -6.735650462e-01 4.38 -6.506155835e-01 -6.506155835e-01 4.40 -6.284801093e-01 -6.284801093e-01 4.42 -6.071142983e-01 -6.071142983e-01 4.44 -5.864690066e-01 -5.864690066e-01 4.46 -5.664920463e-01 -5.664920463e-01 4.48 -5.471297432e-01 -5.471297432e-01 4.50 -5.283282368e-01 -5.283282368e-01 4.52 -5.100345323e-01 -5.100345323e-01 4.54 -4.921973439e-01 -4.921973439e-01 4.56 -4.747677875e-01 -4.747677875e-01 4.58 -4.576999839e-01 -4.576999839e-01 4.60 -4.409516302e-01 -4.409516302e-01 4.62 -4.244845840e-01 -4.244845840e-01 4.64 -4.082654885e-01 -4.082654885e-01 4.66 -3.922664469e-01 -3.922664469e-01 4.68 -3.764657298e-01 -3.764657298e-01 4.70 -3.608484770e-01 -3.608484770e-01 4.72 -3.454073338e-01 -3.454073338e-01 4.74 -3.301429405e-01 -3.301429405e-01 4.76 -3.150641887e-01 -3.150641887e-01 4.78 -3.001881555e-01 -3.001881555e-01 4.80 -2.855395648e-01 -2.855395648e-01 4.82 -2.711502430e-01 -2.711502430e-01 4.84 -2.570572753e-01 -2.570572753e-01 4.86 -2.433017089e-01 -2.433017089e-01 4.88 -2.299265280e-01 -2.299265280e-01 4.90 -2.169746179e-01 -2.169746179e-01 4.92 -2.044867794e-01 -2.044867794e-01 4.94 -1.924999419e-01 -1.924999419e-01 4.96 -1.810456941e-01 -1.810456941e-01 4.98 -1.701492002e-01 -1.701492002e-01 5.00 -1.598285208e-01 -1.598285208e-01 5.02 -1.500943140e-01 -1.500943140e-01 5.04 -1.409498657e-01 -1.409498657e-01 5.06 -1.323913865e-01 -1.323913865e-01 5.08 -1.244085175e-01 -1.244085175e-01 5.10 -1.169849951e-01 -1.169849951e-01 5.12 -1.100994352e-01 -1.100994352e-01 5.14 -1.037262048e-01 -1.037262048e-01 5.16 -9.783634074e-02 -9.783634074e-02 5.18 -9.239848764e-02 -9.239848764e-02 5.20 -8.737981248e-02 -8.737981248e-02 5.22 -8.274684886e-02 -8.274684886e-02 5.24 -7.846579873e-02 -7.846579873e-02 5.26 -7.450421302e-02 -7.450421302e-02 5.28 -7.083115468e-02 -7.083115468e-02 5.30 -6.741714994e-02 -6.741714994e-02 5.32 -6.423451569e-02 -6.423451569e-02 5.34 -6.125754878e-02 -6.125754878e-02 5.36 -5.846260509e-02 -5.846260509e-02 5.38 -5.582809579e-02 -5.582809579e-02 5.40 -5.333442540e-02 -5.333442540e-02 5.42 -5.096389343e-02 -5.096389343e-02 5.44 -4.870057735e-02 -4.870057735e-02 5.46 -4.653021124e-02 -4.653021124e-02 5.48 -4.444007096e-02 -4.444007096e-02 5.50 -4.241887379e-02 -4.241887379e-02 5.52 -4.045669778e-02 -4.045669778e-02 5.54 -3.854492357e-02 -3.854492357e-02 5.56 -3.667619937e-02 -3.667619937e-02 5.58 -3.484442745e-02 -3.484442745e-02 5.60 -3.304476850e-02 -3.304476850e-02 5.62 -3.127365766e-02 -3.127365766e-02 5.64 -2.952882444e-02 -2.952882444e-02 5.66 -2.780930631e-02 -2.780930631e-02 5.68 -2.611544479e-02 -2.611544479e-02 5.70 -2.444885240e-02 -2.444885240e-02 5.72 -2.281233953e-02 -2.281233953e-02 5.74 -2.120979293e-02 -2.120979293e-02 5.76 -1.964600148e-02 -1.964600148e-02 5.78 -1.812642876e-02 -1.812642876e-02 5.80 -1.665694683e-02 -1.665694683e-02 5.82 -1.524353555e-02 -1.524353555e-02 5.84 -1.389196987e-02 -1.389196987e-02 5.86 -1.260751953e-02 -1.260751953e-02 5.88 -1.139468208e-02 -1.139468208e-02 5.90 -1.025696873e-02 -1.025696873e-02 5.92 -9.196827768e-03 -9.196827768e-03 5.94 -8.215594795e-03 -8.215594795e-03 5.96 -7.313112427e-03 -7.313112427e-03 5.98 -6.488102574e-03 -6.488102574e-03 6.00 -5.738301514e-03 -5.738301514e-03