# 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 = AuCo2Fe # 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 1.963240506e+02 1.963240506e+02 1.30 1.801094489e+02 1.801094489e+02 1.32 1.652054373e+02 1.652054373e+02 1.34 1.515000408e+02 1.515000408e+02 1.36 1.388907147e+02 1.388907147e+02 1.38 1.272844849e+02 1.272844849e+02 1.40 1.165973364e+02 1.165973364e+02 1.42 1.067530457e+02 1.067530457e+02 1.44 9.768201323e+01 9.768201323e+01 1.46 8.932062934e+01 8.932062934e+01 1.48 8.161107336e+01 8.161107336e+01 1.50 7.450099051e+01 7.450099051e+01 1.52 6.794282985e+01 6.794282985e+01 1.54 6.189310593e+01 6.189310593e+01 1.56 5.631184696e+01 5.631184696e+01 1.58 5.116226031e+01 5.116226031e+01 1.60 4.641052336e+01 4.641052336e+01 1.62 4.202560611e+01 4.202560611e+01 1.64 3.797980903e+01 3.797980903e+01 1.66 3.425922351e+01 3.425922351e+01 1.68 3.084289771e+01 3.084289771e+01 1.70 2.770792680e+01 2.770792680e+01 1.72 2.483154426e+01 2.483154426e+01 1.74 2.219261568e+01 2.219261568e+01 1.76 1.977175127e+01 1.977175127e+01 1.78 1.755129511e+01 1.755129511e+01 1.80 1.551525987e+01 1.551525987e+01 1.82 1.364918973e+01 1.364918973e+01 1.84 1.193996082e+01 1.193996082e+01 1.86 1.037555928e+01 1.037555928e+01 1.88 8.944872248e+00 8.944872248e+00 1.90 7.637509781e+00 7.637509781e+00 1.92 6.443676355e+00 6.443676355e+00 1.94 5.354113528e+00 5.354113528e+00 1.96 4.360113545e+00 4.360113545e+00 1.98 3.453568403e+00 3.453568403e+00 2.00 2.627011474e+00 2.627011474e+00 2.02 1.873633569e+00 1.873633569e+00 2.04 1.187275032e+00 1.187275032e+00 2.06 5.623954536e-01 5.623954536e-01 2.08 -5.979017910e-03 -5.979017910e-03 2.10 -5.223252227e-01 -5.223252227e-01 2.12 -9.906981874e-01 -9.906981874e-01 2.14 -1.414799874e+00 -1.414799874e+00 2.16 -1.798032554e+00 -1.798032554e+00 2.18 -2.143534006e+00 -2.143534006e+00 2.20 -2.454198784e+00 -2.454198784e+00 2.22 -2.732693674e+00 -2.732693674e+00 2.24 -2.981473689e+00 -2.981473689e+00 2.26 -3.202800227e+00 -3.202800227e+00 2.28 -3.398759627e+00 -3.398759627e+00 2.30 -3.571279865e+00 -3.571279865e+00 2.32 -3.722144209e+00 -3.722144209e+00 2.34 -3.853001890e+00 -3.853001890e+00 2.36 -3.965376866e+00 -3.965376866e+00 2.38 -4.060676361e+00 -4.060676361e+00 2.40 -4.140200854e+00 -4.140200854e+00 2.42 -4.205156463e+00 -4.205156463e+00 2.44 -4.256688106e+00 -4.256688106e+00 2.46 -4.295948680e+00 -4.295948680e+00 2.48 -4.323849690e+00 -4.323849690e+00 2.50 -4.341255502e+00 -4.341255502e+00 2.52 -4.349045202e+00 -4.349045202e+00 2.54 -4.348157103e+00 -4.348157103e+00 2.56 -4.339341330e+00 -4.339341330e+00 2.58 -4.323346013e+00 -4.323346013e+00 2.60 -4.300856095e+00 -4.300856095e+00 2.62 -4.272422219e+00 -4.272422219e+00 2.64 -4.238587446e+00 -4.238587446e+00 2.66 -4.199865791e+00 -4.199865791e+00 2.68 -4.156704723e+00 -4.156704723e+00 2.70 -4.109484856e+00 -4.109484856e+00 2.72 -4.058518876e+00 -4.058518876e+00 2.74 -4.003972777e+00 -4.003972777e+00 2.76 -3.945961062e+00 -3.945961062e+00 2.78 -3.884625750e+00 -3.884625750e+00 2.80 -3.820139906e+00 -3.820139906e+00 2.82 -3.752707297e+00 -3.752707297e+00 2.84 -3.682558997e+00 -3.682558997e+00 2.86 -3.609947503e+00 -3.609947503e+00 2.88 -3.535139465e+00 -3.535139465e+00 2.90 -3.458408391e+00 -3.458408391e+00 2.92 -3.380028788e+00 -3.380028788e+00 2.94 -3.300272882e+00 -3.300272882e+00 2.96 -3.219410307e+00 -3.219410307e+00 2.98 -3.137710120e+00 -3.137710120e+00 3.00 -3.055443382e+00 -3.055443382e+00 3.02 -2.972883919e+00 -2.972883919e+00 3.04 -2.890305185e+00 -2.890305185e+00 3.06 -2.807972542e+00 -2.807972542e+00 3.08 -2.726132385e+00 -2.726132385e+00 3.10 -2.645001321e+00 -2.645001321e+00 3.12 -2.564759001e+00 -2.564759001e+00 3.14 -2.485546978e+00 -2.485546978e+00 3.16 -2.407473793e+00 -2.407473793e+00 3.18 -2.330624498e+00 -2.330624498e+00 3.20 -2.255071834e+00 -2.255071834e+00 3.22 -2.180886361e+00 -2.180886361e+00 3.24 -2.108143662e+00 -2.108143662e+00 3.26 -2.036927729e+00 -2.036927729e+00 3.28 -1.967330567e+00 -1.967330567e+00 3.30 -1.899448682e+00 -1.899448682e+00 3.32 -1.833377532e+00 -1.833377532e+00 3.34 -1.769205114e+00 -1.769205114e+00 3.36 -1.707005846e+00 -1.707005846e+00 3.38 -1.646835630e+00 -1.646835630e+00 3.40 -1.588728668e+00 -1.588728668e+00 3.42 -1.532696254e+00 -1.532696254e+00 3.44 -1.478727392e+00 -1.478727392e+00 3.46 -1.426790918e+00 -1.426790918e+00 3.48 -1.376838612e+00 -1.376838612e+00 3.50 -1.328808825e+00 -1.328808825e+00 3.52 -1.282630168e+00 -1.282630168e+00 3.54 -1.238224947e+00 -1.238224947e+00 3.56 -1.195512135e+00 -1.195512135e+00 3.58 -1.154409789e+00 -1.154409789e+00 3.60 -1.114836908e+00 -1.114836908e+00 3.62 -1.076714783e+00 -1.076714783e+00 3.64 -1.039967927e+00 -1.039967927e+00 3.66 -1.004524667e+00 -1.004524667e+00 3.68 -9.703174921e-01 -9.703174921e-01 3.70 -9.372832135e-01 -9.372832135e-01 3.72 -9.053629968e-01 -9.053629968e-01 3.74 -8.745022861e-01 -8.745022861e-01 3.76 -8.446506420e-01 -8.446506420e-01 3.78 -8.157615023e-01 -8.157615023e-01 3.80 -7.877918766e-01 -7.877918766e-01 3.82 -7.607019849e-01 -7.607019849e-01 3.84 -7.344548576e-01 -7.344548576e-01 3.86 -7.090159161e-01 -7.090159161e-01 3.88 -6.843525559e-01 -6.843525559e-01 3.90 -6.604337494e-01 -6.604337494e-01 3.92 -6.372296879e-01 -6.372296879e-01 3.94 -6.147114781e-01 -6.147114781e-01 3.96 -5.928508986e-01 -5.928508986e-01 3.98 -5.716202360e-01 -5.716202360e-01 4.00 -5.509922031e-01 -5.509922031e-01 4.02 -5.309399548e-01 -5.309399548e-01 4.04 -5.114372113e-01 -5.114372113e-01 4.06 -4.924585021e-01 -4.924585021e-01 4.08 -4.739795380e-01 -4.739795380e-01 4.10 -4.559777163e-01 -4.559777163e-01 4.12 -4.384327545e-01 -4.384327545e-01 4.14 -4.213274147e-01 -4.213274147e-01 4.16 -4.046482886e-01 -4.046482886e-01 4.18 -3.883865516e-01 -3.883865516e-01 4.20 -3.725385848e-01 -3.725385848e-01 4.22 -3.571063372e-01 -3.571063372e-01 4.24 -3.420972967e-01 -3.420972967e-01 4.26 -3.275239589e-01 -3.275239589e-01 4.28 -3.134027439e-01 -3.134027439e-01 4.30 -2.997523912e-01 -2.997523912e-01 4.32 -2.865919649e-01 -2.865919649e-01 4.34 -2.739386894e-01 -2.739386894e-01 4.36 -2.618058844e-01 -2.618058844e-01 4.38 -2.502012620e-01 -2.502012620e-01 4.40 -2.391257857e-01 -2.391257857e-01 4.42 -2.285731878e-01 -2.285731878e-01 4.44 -2.185301306e-01 -2.185301306e-01 4.46 -2.089769016e-01 -2.089769016e-01 4.48 -1.998884773e-01 -1.998884773e-01 4.50 -1.912357767e-01 -1.912357767e-01 4.52 -1.829869410e-01 -1.829869410e-01 4.54 -1.751085225e-01 -1.751085225e-01 4.56 -1.675665061e-01 -1.675665061e-01 4.58 -1.603271342e-01 -1.603271342e-01 4.60 -1.533575398e-01 -1.533575398e-01 4.62 -1.466262124e-01 -1.466262124e-01 4.64 -1.401033383e-01 -1.401033383e-01 4.66 -1.337610579e-01 -1.337610579e-01 4.68 -1.275736830e-01 -1.275736830e-01 4.70 -1.215179111e-01 -1.215179111e-01 4.72 -1.155730670e-01 -1.155730670e-01 4.74 -1.097213888e-01 -1.097213888e-01 4.76 -1.039483681e-01 -1.039483681e-01 4.78 -9.824313520e-02 -9.824313520e-02 4.80 -9.259886719e-02 -9.259886719e-02 4.82 -8.701318360e-02 -8.701318360e-02 4.84 -8.148846606e-02 -8.148846606e-02 4.86 -7.603204781e-02 -7.603204781e-02 4.88 -7.065619269e-02 -7.065619269e-02 4.90 -6.537780276e-02 -6.537780276e-02 4.92 -6.021780877e-02 -6.021780877e-02 4.94 -5.520023247e-02 -5.520023247e-02 4.96 -5.035095426e-02 -5.035095426e-02 4.98 -4.569626345e-02 -4.569626345e-02 5.00 -4.126131579e-02 -4.126131579e-02 5.02 -3.706864582e-02 -3.706864582e-02 5.04 -3.313687538e-02 -3.313687538e-02 5.06 -2.947974182e-02 -2.947974182e-02 5.08 -2.610522196e-02 -2.610522196e-02 5.10 -2.301558235e-02 -2.301558235e-02 5.12 -2.020841802e-02 -2.020841802e-02 5.14 -1.767655736e-02 -1.767655736e-02 5.16 -1.540859614e-02 -1.540859614e-02 5.18 -1.338983851e-02 -1.338983851e-02 5.20 -1.160325746e-02 -1.160325746e-02 5.22 -1.003039836e-02 -1.003039836e-02 5.24 -8.652174738e-03 -8.652174738e-03 5.26 -7.449528399e-03 -7.449528399e-03 5.28 -6.403945508e-03 -6.403945508e-03 5.30 -5.497834260e-03 -5.497834260e-03 5.32 -4.714778861e-03 -4.714778861e-03 5.34 -4.039689198e-03 -4.039689198e-03 5.36 -3.458866919e-03 -3.458866919e-03 5.38 -2.960007792e-03 -2.960007792e-03 5.40 -2.532158029e-03 -2.532158029e-03 5.42 -2.165639463e-03 -2.165639463e-03 5.44 -1.851955556e-03 -1.851955556e-03 5.46 -1.583687465e-03 -1.583687465e-03 5.48 -1.354386998e-03 -1.354386998e-03 5.50 -1.158471281e-03 -1.158471281e-03 5.52 -9.911223664e-04 -9.911223664e-04 5.54 -8.481937692e-04 -8.481937692e-04 5.56 -7.261249976e-04 -7.261249976e-04 5.58 -6.218644862e-04 -6.218644862e-04 5.60 -5.328008785e-04 -5.328008785e-04 5.62 -4.567023075e-04 -4.567023075e-04 5.64 -3.916631360e-04 -3.916631360e-04 5.66 -3.360575240e-04 -3.360575240e-04 5.68 -2.884991480e-04 -2.884991480e-04 5.70 -2.478064021e-04 -2.478064021e-04 5.72 -2.129724363e-04 -2.129724363e-04 5.74 -1.831394334e-04 -1.831394334e-04 5.76 -1.575765735e-04 -1.575765735e-04 5.78 -1.356611957e-04 -1.356611957e-04 5.80 -1.168627164e-04 -1.168627164e-04 5.82 -1.007289180e-04 -1.007289180e-04 5.84 -8.687426989e-05 -8.687426989e-05 5.86 -7.496998860e-05 -7.496998860e-05 5.88 -6.473558170e-05 -6.473558170e-05 5.90 -5.593165799e-05 -5.593165799e-05 5.92 -4.835381520e-05 -4.835381520e-05 5.94 -4.182744471e-05 -4.182744471e-05 5.96 -3.620331567e-05 -3.620331567e-05 5.98 -3.135382156e-05 -3.135382156e-05 6.00 -2.716978925e-05 -2.716978925e-05