# 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 = Al2FeMo # 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 1.447939755e+02 1.447939755e+02 1.30 1.337891013e+02 1.337891013e+02 1.32 1.236158452e+02 1.236158452e+02 1.34 1.142016440e+02 1.142016440e+02 1.36 1.054815139e+02 1.054815139e+02 1.38 9.739890258e+01 9.739890258e+01 1.40 8.990481817e+01 8.990481817e+01 1.42 8.295557859e+01 8.295557859e+01 1.44 7.651042023e+01 7.651042023e+01 1.46 7.053016183e+01 7.053016183e+01 1.48 6.497755400e+01 6.497755400e+01 1.50 5.981877217e+01 5.981877217e+01 1.52 5.502452698e+01 5.502452698e+01 1.54 5.056977506e+01 5.056977506e+01 1.56 4.643244754e+01 4.643244754e+01 1.58 4.259217557e+01 4.259217557e+01 1.60 3.902946696e+01 3.902946696e+01 1.62 3.572524811e+01 3.572524811e+01 1.64 3.266234396e+01 3.266234396e+01 1.66 2.982331846e+01 2.982331846e+01 1.68 2.718959556e+01 2.718959556e+01 1.70 2.474385354e+01 2.474385354e+01 1.72 2.247126880e+01 2.247126880e+01 1.74 2.036214761e+01 2.036214761e+01 1.76 1.840520404e+01 1.840520404e+01 1.78 1.658997355e+01 1.658997355e+01 1.80 1.490709067e+01 1.490709067e+01 1.82 1.334809697e+01 1.334809697e+01 1.84 1.190531134e+01 1.190531134e+01 1.86 1.057169482e+01 1.057169482e+01 1.88 9.340683570e+00 9.340683570e+00 1.90 8.205996562e+00 8.205996562e+00 1.92 7.161440454e+00 7.161440454e+00 1.94 6.200751018e+00 6.200751018e+00 1.96 5.317520552e+00 5.317520552e+00 1.98 4.505250716e+00 4.505250716e+00 2.00 3.757530189e+00 3.757530189e+00 2.02 3.068280240e+00 3.068280240e+00 2.04 2.431971446e+00 2.431971446e+00 2.06 1.843728250e+00 1.843728250e+00 2.08 1.299303568e+00 1.299303568e+00 2.10 7.949724891e-01 7.949724891e-01 2.12 3.274152095e-01 3.274152095e-01 2.14 -1.063642286e-01 -1.063642286e-01 2.16 -5.090729475e-01 -5.090729475e-01 2.18 -8.831324035e-01 -8.831324035e-01 2.20 -1.230671919e+00 -1.230671919e+00 2.22 -1.553530846e+00 -1.553530846e+00 2.24 -1.853277662e+00 -1.853277662e+00 2.26 -2.131244072e+00 -2.131244072e+00 2.28 -2.388565839e+00 -2.388565839e+00 2.30 -2.626221365e+00 -2.626221365e+00 2.32 -2.845063100e+00 -2.845063100e+00 2.34 -3.045835949e+00 -3.045835949e+00 2.36 -3.229089476e+00 -3.229089476e+00 2.38 -3.395474850e+00 -3.395474850e+00 2.40 -3.545657243e+00 -3.545657243e+00 2.42 -3.680255924e+00 -3.680255924e+00 2.44 -3.799876659e+00 -3.799876659e+00 2.46 -3.905142635e+00 -3.905142635e+00 2.48 -3.996721857e+00 -3.996721857e+00 2.50 -4.075349375e+00 -4.075349375e+00 2.52 -4.141814159e+00 -4.141814159e+00 2.54 -4.196825828e+00 -4.196825828e+00 2.56 -4.241146663e+00 -4.241146663e+00 2.58 -4.275652860e+00 -4.275652860e+00 2.60 -4.301309676e+00 -4.301309676e+00 2.62 -4.319125953e+00 -4.319125953e+00 2.64 -4.330090764e+00 -4.330090764e+00 2.66 -4.335104672e+00 -4.335104672e+00 2.68 -4.334924131e+00 -4.334924131e+00 2.70 -4.330135249e+00 -4.330135249e+00 2.72 -4.321157037e+00 -4.321157037e+00 2.74 -4.308408644e+00 -4.308408644e+00 2.76 -4.293223894e+00 -4.293223894e+00 2.78 -4.275565135e+00 -4.275565135e+00 2.80 -4.255105100e+00 -4.255105100e+00 2.82 -4.231601406e+00 -4.231601406e+00 2.84 -4.204895977e+00 -4.204895977e+00 2.86 -4.174878842e+00 -4.174878842e+00 2.88 -4.141370928e+00 -4.141370928e+00 2.90 -4.104224990e+00 -4.104224990e+00 2.92 -4.063367482e+00 -4.063367482e+00 2.94 -4.018810480e+00 -4.018810480e+00 2.96 -3.970625593e+00 -3.970625593e+00 2.98 -3.918936574e+00 -3.918936574e+00 3.00 -3.863921134e+00 -3.863921134e+00 3.02 -3.805810357e+00 -3.805810357e+00 3.04 -3.744883179e+00 -3.744883179e+00 3.06 -3.681454394e+00 -3.681454394e+00 3.08 -3.615856234e+00 -3.615856234e+00 3.10 -3.548416126e+00 -3.548416126e+00 3.12 -3.479434563e+00 -3.479434563e+00 3.14 -3.409167785e+00 -3.409167785e+00 3.16 -3.337818446e+00 -3.337818446e+00 3.18 -3.265535835e+00 -3.265535835e+00 3.20 -3.192424320e+00 -3.192424320e+00 3.22 -3.118557440e+00 -3.118557440e+00 3.24 -3.043994401e+00 -3.043994401e+00 3.26 -2.968796131e+00 -2.968796131e+00 3.28 -2.893038905e+00 -2.893038905e+00 3.30 -2.816824484e+00 -2.816824484e+00 3.32 -2.740286475e+00 -2.740286475e+00 3.34 -2.663593081e+00 -2.663593081e+00 3.36 -2.586946620e+00 -2.586946620e+00 3.38 -2.510580264e+00 -2.510580264e+00 3.40 -2.434752351e+00 -2.434752351e+00 3.42 -2.359738683e+00 -2.359738683e+00 3.44 -2.285823135e+00 -2.285823135e+00 3.46 -2.213287188e+00 -2.213287188e+00 3.48 -2.142399018e+00 -2.142399018e+00 3.50 -2.073402987e+00 -2.073402987e+00 3.52 -2.006510401e+00 -2.006510401e+00 3.54 -1.941892335e+00 -1.941892335e+00 3.56 -1.879675056e+00 -1.879675056e+00 3.58 -1.819938312e+00 -1.819938312e+00 3.60 -1.762716378e+00 -1.762716378e+00 3.62 -1.708001467e+00 -1.708001467e+00 3.64 -1.655748933e+00 -1.655748933e+00 3.66 -1.605883567e+00 -1.605883567e+00 3.68 -1.558306350e+00 -1.558306350e+00 3.70 -1.512901083e+00 -1.512901083e+00 3.72 -1.469540480e+00 -1.469540480e+00 3.74 -1.428091449e+00 -1.428091449e+00 3.76 -1.388419423e+00 -1.388419423e+00 3.78 -1.350391724e+00 -1.350391724e+00 3.80 -1.313880005e+00 -1.313880005e+00 3.82 -1.278761886e+00 -1.278761886e+00 3.84 -1.244921914e+00 -1.244921914e+00 3.86 -1.212251978e+00 -1.212251978e+00 3.88 -1.180651311e+00 -1.180651311e+00 3.90 -1.150026213e+00 -1.150026213e+00 3.92 -1.120289565e+00 -1.120289565e+00 3.94 -1.091360300e+00 -1.091360300e+00 3.96 -1.063162763e+00 -1.063162763e+00 3.98 -1.035626203e+00 -1.035626203e+00 4.00 -1.008684319e+00 -1.008684319e+00 4.02 -9.822749677e-01 -9.822749677e-01 4.04 -9.563400556e-01 -9.563400556e-01 4.06 -9.308256696e-01 -9.308256696e-01 4.08 -9.056824576e-01 -9.056824576e-01 4.10 -8.808662628e-01 -8.808662628e-01 4.12 -8.563391340e-01 -8.563391340e-01 4.14 -8.320703392e-01 -8.320703392e-01 4.16 -8.080377775e-01 -8.080377775e-01 4.18 -7.842293099e-01 -7.842293099e-01 4.20 -7.606439948e-01 -7.606439948e-01 4.22 -7.372929954e-01 -7.372929954e-01 4.24 -7.141999334e-01 -7.141999334e-01 4.26 -6.914004734e-01 -6.914004734e-01 4.28 -6.689409771e-01 -6.689409771e-01 4.30 -6.468761717e-01 -6.468761717e-01 4.32 -6.252659102e-01 -6.252659102e-01 4.34 -6.041712574e-01 -6.041712574e-01 4.36 -5.836502616e-01 -5.836502616e-01 4.38 -5.637538504e-01 -5.637538504e-01 4.40 -5.445222840e-01 -5.445222840e-01 4.42 -5.259825218e-01 -5.259825218e-01 4.44 -5.081467111e-01 -5.081467111e-01 4.46 -4.910118400e-01 -4.910118400e-01 4.48 -4.745604396e-01 -4.745604396e-01 4.50 -4.587621282e-01 -4.587621282e-01 4.52 -4.435756683e-01 -4.435756683e-01 4.54 -4.289512909e-01 -4.289512909e-01 4.56 -4.148330303e-01 -4.148330303e-01 4.58 -4.011609476e-01 -4.011609476e-01 4.60 -3.878730662e-01 -3.878730662e-01 4.62 -3.749067121e-01 -3.749067121e-01 4.64 -3.622001977e-01 -3.622001977e-01 4.66 -3.496946824e-01 -3.496946824e-01 4.68 -3.373341242e-01 -3.373341242e-01 4.70 -3.250662428e-01 -3.250662428e-01 4.72 -3.128434420e-01 -3.128434420e-01 4.74 -3.006237244e-01 -3.006237244e-01 4.76 -2.883716460e-01 -2.883716460e-01 4.78 -2.760593230e-01 -2.760593230e-01 4.80 -2.636674688e-01 -2.636674688e-01 4.82 -2.511864786e-01 -2.511864786e-01 4.84 -2.386173085e-01 -2.386173085e-01 4.86 -2.259722833e-01 -2.259722833e-01 4.88 -2.132755224e-01 -2.132755224e-01 4.90 -2.005629329e-01 -2.005629329e-01 4.92 -1.878816419e-01 -1.878816419e-01 4.94 -1.752887909e-01 -1.752887909e-01 4.96 -1.628496718e-01 -1.628496718e-01 4.98 -1.506352541e-01 -1.506352541e-01 5.00 -1.387192340e-01 -1.387192340e-01 5.02 -1.271748021e-01 -1.271748021e-01 5.04 -1.160713776e-01 -1.160713776e-01 5.06 -1.054715717e-01 -1.054715717e-01 5.08 -9.542862258e-02 -9.542862258e-02 5.10 -8.598449024e-02 -8.598449024e-02 5.12 -7.716872136e-02 -7.716872136e-02 5.14 -6.899810748e-02 -6.899810748e-02 5.16 -6.147707752e-02 -6.147707752e-02 5.18 -5.459870242e-02 -5.459870242e-02 5.20 -4.834614982e-02 -4.834614982e-02 5.22 -4.269441555e-02 -4.269441555e-02 5.24 -3.761217119e-02 -3.761217119e-02 5.26 -3.306357179e-02 -3.306357179e-02 5.28 -2.900993535e-02 -2.900993535e-02 5.30 -2.541120737e-02 -2.541120737e-02 5.32 -2.222720687e-02 -2.222720687e-02 5.34 -1.941860934e-02 -1.941860934e-02 5.36 -1.694767973e-02 -1.694767973e-02 5.38 -1.477829086e-02 -1.477829086e-02 5.40 -1.287737997e-02 -1.287737997e-02 5.42 -1.121480598e-02 -1.121480598e-02 5.44 -9.762926957e-03 -9.762926957e-03 5.46 -8.496650212e-03 -8.496650212e-03 5.48 -7.393386783e-03 -7.393386783e-03 5.50 -6.432941204e-03 -6.432941204e-03 5.52 -5.597360687e-03 -5.597360687e-03 5.54 -4.870761647e-03 -4.870761647e-03 5.56 -4.239146654e-03 -4.239146654e-03 5.58 -3.690221009e-03 -3.690221009e-03 5.60 -3.213215173e-03 -3.213215173e-03 5.62 -2.798717003e-03 -2.798717003e-03 5.64 -2.438516122e-03 -2.438516122e-03 5.66 -2.125461529e-03 -2.125461529e-03 5.68 -1.853332730e-03 -1.853332730e-03 5.70 -1.616724137e-03 -1.616724137e-03 5.72 -1.410942068e-03 -1.410942068e-03 5.74 -1.231913513e-03 -1.231913513e-03 5.76 -1.076105687e-03 -1.076105687e-03 5.78 -9.404553781e-04 -9.404553781e-04 5.80 -8.223070853e-04 -8.223070853e-04 5.82 -7.193589998e-04 -7.193589998e-04 5.84 -6.296159338e-04 -6.296159338e-04 5.86 -5.513483770e-04 -5.513483770e-04 5.88 -4.830569345e-04 -4.830569345e-04 5.90 -4.234414748e-04 -4.234414748e-04 5.92 -3.713743892e-04 -3.713743892e-04 5.94 -3.258774316e-04 -3.258774316e-04 5.96 -2.861016708e-04 -2.861016708e-04 5.98 -2.513101444e-04 -2.513101444e-04 6.00 -2.208628544e-04 -2.208628544e-04