# 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 = Cu2MoPb # 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 2.246914923e+02 2.246914923e+02 1.30 2.082964579e+02 2.082964579e+02 1.32 1.931071130e+02 1.931071130e+02 1.34 1.790398432e+02 1.790398432e+02 1.36 1.660134968e+02 1.660134968e+02 1.38 1.539470434e+02 1.539470434e+02 1.40 1.427608519e+02 1.427608519e+02 1.42 1.323799527e+02 1.323799527e+02 1.44 1.227365430e+02 1.227365430e+02 1.46 1.137705294e+02 1.137705294e+02 1.48 1.054287013e+02 1.054287013e+02 1.50 9.766353379e+01 9.766353379e+01 1.52 9.043214593e+01 9.043214593e+01 1.54 8.369545796e+01 8.369545796e+01 1.56 7.741751989e+01 7.741751989e+01 1.58 7.156514235e+01 7.156514235e+01 1.60 6.610790047e+01 6.610790047e+01 1.62 6.101836943e+01 6.101836943e+01 1.64 5.627235733e+01 5.627235733e+01 1.66 5.185046948e+01 5.185046948e+01 1.68 4.773634807e+01 4.773634807e+01 1.70 4.391793408e+01 4.391793408e+01 1.72 4.037751331e+01 4.037751331e+01 1.74 3.709719904e+01 3.709719904e+01 1.76 3.405891834e+01 3.405891834e+01 1.78 3.124441053e+01 3.124441053e+01 1.80 2.863558654e+01 2.863558654e+01 1.82 2.621511417e+01 2.621511417e+01 1.84 2.396702865e+01 2.396702865e+01 1.86 2.187715886e+01 2.187715886e+01 1.88 1.993324396e+01 1.993324396e+01 1.90 1.812474903e+01 1.812474903e+01 1.92 1.644252105e+01 1.644252105e+01 1.94 1.487843805e+01 1.487843805e+01 1.96 1.342512267e+01 1.342512267e+01 1.98 1.207574685e+01 1.207574685e+01 2.00 1.082389003e+01 1.082389003e+01 2.02 9.663429361e+00 9.663429361e+00 2.04 8.588455262e+00 8.588455262e+00 2.06 7.593222277e+00 7.593222277e+00 2.08 6.672140002e+00 6.672140002e+00 2.10 5.819803076e+00 5.819803076e+00 2.12 5.031046639e+00 5.031046639e+00 2.14 4.301007492e+00 4.301007492e+00 2.16 3.625178180e+00 3.625178180e+00 2.18 2.999439301e+00 2.999439301e+00 2.20 2.420063095e+00 2.420063095e+00 2.22 1.883695088e+00 1.883695088e+00 2.24 1.387318106e+00 1.387318106e+00 2.26 9.282057799e-01 9.282057799e-01 2.28 5.038642200e-01 5.038642200e-01 2.30 1.119779682e-01 1.119779682e-01 2.32 -2.496481959e-01 -2.496481959e-01 2.34 -5.830765106e-01 -5.830765106e-01 2.36 -8.901871760e-01 -8.901871760e-01 2.38 -1.173037772e+00 -1.173037772e+00 2.40 -1.433537672e+00 -1.433537672e+00 2.42 -1.673392399e+00 -1.673392399e+00 2.44 -1.894110305e+00 -1.894110305e+00 2.46 -2.097021226e+00 -2.097021226e+00 2.48 -2.283301419e+00 -2.283301419e+00 2.50 -2.453963558e+00 -2.453963558e+00 2.52 -2.609766573e+00 -2.609766573e+00 2.54 -2.751390322e+00 -2.751390322e+00 2.56 -2.879494255e+00 -2.879494255e+00 2.58 -2.994720207e+00 -2.994720207e+00 2.60 -3.097697619e+00 -3.097697619e+00 2.62 -3.189050154e+00 -3.189050154e+00 2.64 -3.269405859e+00 -3.269405859e+00 2.66 -3.339400307e+00 -3.339400307e+00 2.68 -3.399682386e+00 -3.399682386e+00 2.70 -3.450910612e+00 -3.450910612e+00 2.72 -3.493868608e+00 -3.493868608e+00 2.74 -3.529498740e+00 -3.529498740e+00 2.76 -3.558053556e+00 -3.558053556e+00 2.78 -3.579747566e+00 -3.579747566e+00 2.80 -3.594803259e+00 -3.594803259e+00 2.82 -3.603436745e+00 -3.603436745e+00 2.84 -3.605853416e+00 -3.605853416e+00 2.86 -3.602249072e+00 -3.602249072e+00 2.88 -3.592815614e+00 -3.592815614e+00 2.90 -3.577761692e+00 -3.577761692e+00 2.92 -3.557340780e+00 -3.557340780e+00 2.94 -3.531823550e+00 -3.531823550e+00 2.96 -3.501496354e+00 -3.501496354e+00 2.98 -3.466664605e+00 -3.466664605e+00 3.00 -3.427674573e+00 -3.427674573e+00 3.02 -3.384904409e+00 -3.384904409e+00 3.04 -3.338586604e+00 -3.338586604e+00 3.06 -3.288983681e+00 -3.288983681e+00 3.08 -3.236383328e+00 -3.236383328e+00 3.10 -3.181083453e+00 -3.181083453e+00 3.12 -3.123354781e+00 -3.123354781e+00 3.14 -3.063434049e+00 -3.063434049e+00 3.16 -3.001540860e+00 -3.001540860e+00 3.18 -2.937873462e+00 -2.937873462e+00 3.20 -2.872603905e+00 -2.872603905e+00 3.22 -2.805878545e+00 -2.805878545e+00 3.24 -2.737822436e+00 -2.737822436e+00 3.26 -2.668546852e+00 -2.668546852e+00 3.28 -2.598159056e+00 -2.598159056e+00 3.30 -2.526773239e+00 -2.526773239e+00 3.32 -2.454521325e+00 -2.454521325e+00 3.34 -2.381562222e+00 -2.381562222e+00 3.36 -2.308088211e+00 -2.308088211e+00 3.38 -2.234327438e+00 -2.234327438e+00 3.40 -2.160541784e+00 -2.160541784e+00 3.42 -2.087021527e+00 -2.087021527e+00 3.44 -2.014073908e+00 -2.014073908e+00 3.46 -1.942011595e+00 -1.942011595e+00 3.48 -1.871138648e+00 -1.871138648e+00 3.50 -1.801737107e+00 -1.801737107e+00 3.52 -1.734055289e+00 -1.734055289e+00 3.54 -1.668298903e+00 -1.668298903e+00 3.56 -1.604625636e+00 -1.604625636e+00 3.58 -1.543143407e+00 -1.543143407e+00 3.60 -1.483912069e+00 -1.483912069e+00 3.62 -1.426947987e+00 -1.426947987e+00 3.64 -1.372230732e+00 -1.372230732e+00 3.66 -1.319711056e+00 -1.319711056e+00 3.68 -1.269319306e+00 -1.269319306e+00 3.70 -1.220973576e+00 -1.220973576e+00 3.72 -1.174587009e+00 -1.174587009e+00 3.74 -1.130073823e+00 -1.130073823e+00 3.76 -1.087353793e+00 -1.087353793e+00 3.78 -1.046355053e+00 -1.046355053e+00 3.80 -1.007015227e+00 -1.007015227e+00 3.82 -9.692809840e-01 -9.692809840e-01 3.84 -9.331062871e-01 -9.331062871e-01 3.86 -8.984496609e-01 -8.984496609e-01 3.88 -8.652709567e-01 -8.652709567e-01 3.90 -8.335281076e-01 -8.335281076e-01 3.92 -8.031738861e-01 -8.031738861e-01 3.94 -7.741559560e-01 -7.741559560e-01 3.96 -7.464128636e-01 -7.464128636e-01 3.98 -7.198763766e-01 -7.198763766e-01 4.00 -6.944719054e-01 -6.944719054e-01 4.02 -6.701200890e-01 -6.701200890e-01 4.04 -6.467386599e-01 -6.467386599e-01 4.06 -6.242443204e-01 -6.242443204e-01 4.08 -6.025544441e-01 -6.025544441e-01 4.10 -5.815874873e-01 -5.815874873e-01 4.12 -5.612683818e-01 -5.612683818e-01 4.14 -5.415227276e-01 -5.415227276e-01 4.16 -5.222822166e-01 -5.222822166e-01 4.18 -5.034840232e-01 -5.034840232e-01 4.20 -4.850714475e-01 -4.850714475e-01 4.22 -4.669946287e-01 -4.669946287e-01 4.24 -4.492113675e-01 -4.492113675e-01 4.26 -4.316880594e-01 -4.316880594e-01 4.28 -4.144006966e-01 -4.144006966e-01 4.30 -3.973358537e-01 -3.973358537e-01 4.32 -3.804915256e-01 -3.804915256e-01 4.34 -3.638776571e-01 -3.638776571e-01 4.36 -3.475161837e-01 -3.475161837e-01 4.38 -3.314404210e-01 -3.314404210e-01 4.40 -3.156936838e-01 -3.156936838e-01 4.42 -3.003271036e-01 -3.003271036e-01 4.44 -2.853967211e-01 -2.853967211e-01 4.46 -2.709600507e-01 -2.709600507e-01 4.48 -2.570724148e-01 -2.570724148e-01 4.50 -2.437834063e-01 -2.437834063e-01 4.52 -2.311338352e-01 -2.311338352e-01 4.54 -2.191534544e-01 -2.191534544e-01 4.56 -2.078596459e-01 -2.078596459e-01 4.58 -1.972571068e-01 -1.972571068e-01 4.60 -1.873384557e-01 -1.873384557e-01 4.62 -1.780855824e-01 -1.780855824e-01 4.64 -1.694714880e-01 -1.694714880e-01 4.66 -1.614623601e-01 -1.614623601e-01 4.68 -1.540196822e-01 -1.540196822e-01 4.70 -1.471021961e-01 -1.471021961e-01 4.72 -1.406669648e-01 -1.406669648e-01 4.74 -1.346721228e-01 -1.346721228e-01 4.76 -1.290776977e-01 -1.290776977e-01 4.78 -1.238455616e-01 -1.238455616e-01 4.80 -1.189392504e-01 -1.189392504e-01 4.82 -1.143276194e-01 -1.143276194e-01 4.84 -1.099797962e-01 -1.099797962e-01 4.86 -1.058687809e-01 -1.058687809e-01 4.88 -1.019703843e-01 -1.019703843e-01 4.90 -9.826305414e-02 -9.826305414e-02 4.92 -9.472766896e-02 -9.472766896e-02 4.94 -9.134732162e-02 -9.134732162e-02 4.96 -8.810710544e-02 -8.810710544e-02 4.98 -8.499391450e-02 -8.499391450e-02 5.00 -8.199626334e-02 -8.199626334e-02 5.02 -7.910412879e-02 -7.910412879e-02 5.04 -7.630881458e-02 -7.630881458e-02 5.06 -7.360283783e-02 -7.360283783e-02 5.08 -7.097983359e-02 -7.097983359e-02 5.10 -6.843447476e-02 -6.843447476e-02 5.12 -6.596240429e-02 -6.596240429e-02 5.14 -6.356017186e-02 -6.356017186e-02 5.16 -6.122517077e-02 -6.122517077e-02 5.18 -5.895556951e-02 -5.895556951e-02 5.20 -5.675023343e-02 -5.675023343e-02 5.22 -5.460863305e-02 -5.460863305e-02 5.24 -5.253073727e-02 -5.253073727e-02 5.26 -5.051688409e-02 -5.051688409e-02 5.28 -4.856756419e-02 -4.856756419e-02 5.30 -4.668348402e-02 -4.668348402e-02 5.32 -4.486535052e-02 -4.486535052e-02 5.34 -4.311369776e-02 -4.311369776e-02 5.36 -4.142877331e-02 -4.142877331e-02 5.38 -3.981044822e-02 -3.981044822e-02 5.40 -3.825815539e-02 -3.825815539e-02 5.42 -3.677085833e-02 -3.677085833e-02 5.44 -3.534704973e-02 -3.534704973e-02 5.46 -3.398477640e-02 -3.398477640e-02 5.48 -3.268168579e-02 -3.268168579e-02 5.50 -3.143508782e-02 -3.143508782e-02 5.52 -3.024202574e-02 -3.024202574e-02 5.54 -2.909935015e-02 -2.909935015e-02 5.56 -2.800379122e-02 -2.800379122e-02 5.58 -2.695202558e-02 -2.695202558e-02 5.60 -2.594073540e-02 -2.594073540e-02 5.62 -2.496665851e-02 -2.496665851e-02 5.64 -2.402662934e-02 -2.402662934e-02 5.66 -2.311761152e-02 -2.311761152e-02 5.68 -2.223672297e-02 -2.223672297e-02 5.70 -2.138125504e-02 -2.138125504e-02 5.72 -2.054868697e-02 -2.054868697e-02 5.74 -1.973669722e-02 -1.973669722e-02 5.76 -1.894317287e-02 -1.894317287e-02 5.78 -1.816621805e-02 -1.816621805e-02 5.80 -1.740416222e-02 -1.740416222e-02 5.82 -1.665556864e-02 -1.665556864e-02 5.84 -1.591924312e-02 -1.591924312e-02 5.86 -1.519424287e-02 -1.519424287e-02 5.88 -1.447988491e-02 -1.447988491e-02 5.90 -1.377575304e-02 -1.377575304e-02 5.92 -1.308170253e-02 -1.308170253e-02 5.94 -1.239784967e-02 -1.239784967e-02 5.96 -1.172452690e-02 -1.172452690e-02 5.98 -1.106239333e-02 -1.106239333e-02 6.00 -1.041236020e-02 -1.041236020e-02