# 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 = Al2FeW # 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 1.713270229e+02 1.713270229e+02 1.30 1.581520440e+02 1.581520440e+02 1.32 1.459903308e+02 1.459903308e+02 1.34 1.347539810e+02 1.347539810e+02 1.36 1.243642110e+02 1.243642110e+02 1.38 1.147519597e+02 1.147519597e+02 1.40 1.058569430e+02 1.058569430e+02 1.42 9.762521892e+01 9.762521892e+01 1.44 9.000644358e+01 9.000644358e+01 1.46 8.295218649e+01 8.295218649e+01 1.48 7.641618820e+01 7.641618820e+01 1.50 7.035607931e+01 7.035607931e+01 1.52 6.473481217e+01 6.473481217e+01 1.54 5.952053111e+01 5.952053111e+01 1.56 5.468525796e+01 5.468525796e+01 1.58 5.020347609e+01 5.020347609e+01 1.60 4.605114592e+01 4.605114592e+01 1.62 4.220508587e+01 4.220508587e+01 1.64 3.864258149e+01 3.864258149e+01 1.66 3.534145739e+01 3.534145739e+01 1.68 3.228071182e+01 3.228071182e+01 1.70 2.944014089e+01 2.944014089e+01 1.72 2.680154021e+01 2.680154021e+01 1.74 2.434894405e+01 2.434894405e+01 1.76 2.206858994e+01 2.206858994e+01 1.78 1.994860385e+01 1.994860385e+01 1.80 1.798187966e+01 1.798187966e+01 1.82 1.616013893e+01 1.616013893e+01 1.84 1.447438619e+01 1.447438619e+01 1.86 1.291635988e+01 1.291635988e+01 1.88 1.147833397e+01 1.147833397e+01 1.90 1.015290590e+01 1.015290590e+01 1.92 8.932790354e+00 8.932790354e+00 1.94 7.810652222e+00 7.810652222e+00 1.96 6.779027900e+00 6.779027900e+00 1.98 5.830379538e+00 5.830379538e+00 2.00 4.957286279e+00 4.957286279e+00 2.02 4.152711472e+00 4.152711472e+00 2.04 3.410236692e+00 3.410236692e+00 2.06 2.724168511e+00 2.724168511e+00 2.08 2.089500038e+00 2.089500038e+00 2.10 1.501785940e+00 1.501785940e+00 2.12 9.570128601e-01 9.570128601e-01 2.14 4.515187599e-01 4.515187599e-01 2.16 -1.802861501e-02 -1.802861501e-02 2.18 -4.546146027e-01 -4.546146027e-01 2.20 -8.608524261e-01 -8.608524261e-01 2.22 -1.238975008e+00 -1.238975008e+00 2.24 -1.590793254e+00 -1.590793254e+00 2.26 -1.917842710e+00 -1.917842710e+00 2.28 -2.221542523e+00 -2.221542523e+00 2.30 -2.503071735e+00 -2.503071735e+00 2.32 -2.763426883e+00 -2.763426883e+00 2.34 -3.003468050e+00 -3.003468050e+00 2.36 -3.223953469e+00 -3.223953469e+00 2.38 -3.425565298e+00 -3.425565298e+00 2.40 -3.608822173e+00 -3.608822173e+00 2.42 -3.774078310e+00 -3.774078310e+00 2.44 -3.921736934e+00 -3.921736934e+00 2.46 -4.052274334e+00 -4.052274334e+00 2.48 -4.166250151e+00 -4.166250151e+00 2.50 -4.264319226e+00 -4.264319226e+00 2.52 -4.347243574e+00 -4.347243574e+00 2.54 -4.415903480e+00 -4.415903480e+00 2.56 -4.471304765e+00 -4.471304765e+00 2.58 -4.514575322e+00 -4.514575322e+00 2.60 -4.546941451e+00 -4.546941451e+00 2.62 -4.569677465e+00 -4.569677465e+00 2.64 -4.584032090e+00 -4.584032090e+00 2.66 -4.591147189e+00 -4.591147189e+00 2.68 -4.591991287e+00 -4.591991287e+00 2.70 -4.587325617e+00 -4.587325617e+00 2.72 -4.577708185e+00 -4.577708185e+00 2.74 -4.563528368e+00 -4.563528368e+00 2.76 -4.545060245e+00 -4.545060245e+00 2.78 -4.522502225e+00 -4.522502225e+00 2.80 -4.496025127e+00 -4.496025127e+00 2.82 -4.466269861e+00 -4.466269861e+00 2.84 -4.434460895e+00 -4.434460895e+00 2.86 -4.400362988e+00 -4.400362988e+00 2.88 -4.363757531e+00 -4.363757531e+00 2.90 -4.324476905e+00 -4.324476905e+00 2.92 -4.282252382e+00 -4.282252382e+00 2.94 -4.236846672e+00 -4.236846672e+00 2.96 -4.188107413e+00 -4.188107413e+00 2.98 -4.135969168e+00 -4.135969168e+00 3.00 -4.080480839e+00 -4.080480839e+00 3.02 -4.021787247e+00 -4.021787247e+00 3.04 -3.960104050e+00 -3.960104050e+00 3.06 -3.895704631e+00 -3.895704631e+00 3.08 -3.828899433e+00 -3.828899433e+00 3.10 -3.760010310e+00 -3.760010310e+00 3.12 -3.689344108e+00 -3.689344108e+00 3.14 -3.617170522e+00 -3.617170522e+00 3.16 -3.543707920e+00 -3.543707920e+00 3.18 -3.469119177e+00 -3.469119177e+00 3.20 -3.393516636e+00 -3.393516636e+00 3.22 -3.316973867e+00 -3.316973867e+00 3.24 -3.239541100e+00 -3.239541100e+00 3.26 -3.161261392e+00 -3.161261392e+00 3.28 -3.082185414e+00 -3.082185414e+00 3.30 -3.002383595e+00 -3.002383595e+00 3.32 -2.921955182e+00 -2.921955182e+00 3.34 -2.841034219e+00 -2.841034219e+00 3.36 -2.759792666e+00 -2.759792666e+00 3.38 -2.678440886e+00 -2.678440886e+00 3.40 -2.597225609e+00 -2.597225609e+00 3.42 -2.516425386e+00 -2.516425386e+00 3.44 -2.436343506e+00 -2.436343506e+00 3.46 -2.357298584e+00 -2.357298584e+00 3.48 -2.279613175e+00 -2.279613175e+00 3.50 -2.203601179e+00 -2.203601179e+00 3.52 -2.129555053e+00 -2.129555053e+00 3.54 -2.057733972e+00 -2.057733972e+00 3.56 -1.988354064e+00 -1.988354064e+00 3.58 -1.921581543e+00 -1.921581543e+00 3.60 -1.857529243e+00 -1.857529243e+00 3.62 -1.796256552e+00 -1.796256552e+00 3.64 -1.737772402e+00 -1.737772402e+00 3.66 -1.682040661e+00 -1.682040661e+00 3.68 -1.628987114e+00 -1.628987114e+00 3.70 -1.578507248e+00 -1.578507248e+00 3.72 -1.530474086e+00 -1.530474086e+00 3.74 -1.484745551e+00 -1.484745551e+00 3.76 -1.441170944e+00 -1.441170944e+00 3.78 -1.399596354e+00 -1.399596354e+00 3.80 -1.359868926e+00 -1.359868926e+00 3.82 -1.321840026e+00 -1.321840026e+00 3.84 -1.285367427e+00 -1.285367427e+00 3.86 -1.250316653e+00 -1.250316653e+00 3.88 -1.216561648e+00 -1.216561648e+00 3.90 -1.183984939e+00 -1.183984939e+00 3.92 -1.152477420e+00 -1.152477420e+00 3.94 -1.121937932e+00 -1.121937932e+00 3.96 -1.092272660e+00 -1.092272660e+00 3.98 -1.063394564e+00 -1.063394564e+00 4.00 -1.035222830e+00 -1.035222830e+00 4.02 -1.007682450e+00 -1.007682450e+00 4.04 -9.807039748e-01 -9.807039748e-01 4.06 -9.542234996e-01 -9.542234996e-01 4.08 -9.281829006e-01 -9.281829006e-01 4.10 -9.025303332e-01 -9.025303332e-01 4.12 -8.772211200e-01 -8.772211200e-01 4.14 -8.522186431e-01 -8.522186431e-01 4.16 -8.274956542e-01 -8.274956542e-01 4.18 -8.030355112e-01 -8.030355112e-01 4.20 -7.788333292e-01 -7.788333292e-01 4.22 -7.548968139e-01 -7.548968139e-01 4.24 -7.312465491e-01 -7.312465491e-01 4.26 -7.079155233e-01 -7.079155233e-01 4.28 -6.849477334e-01 -6.849477334e-01 4.30 -6.623958074e-01 -6.623958074e-01 4.32 -6.403177266e-01 -6.403177266e-01 4.34 -6.187728761e-01 -6.187728761e-01 4.36 -5.978177873e-01 -5.978177873e-01 4.38 -5.775020065e-01 -5.775020065e-01 4.40 -5.578645257e-01 -5.578645257e-01 4.42 -5.389311293e-01 -5.389311293e-01 4.44 -5.207128646e-01 -5.207128646e-01 4.46 -5.032056806e-01 -5.032056806e-01 4.48 -4.863911168e-01 -4.863911168e-01 4.50 -4.702378368e-01 -4.702378368e-01 4.52 -4.547036768e-01 -4.547036768e-01 4.54 -4.397379632e-01 -4.397379632e-01 4.56 -4.252838421e-01 -4.252838421e-01 4.58 -4.112805004e-01 -4.112805004e-01 4.60 -3.976651010e-01 -3.976651010e-01 4.62 -3.843741371e-01 -3.843741371e-01 4.64 -3.713450816e-01 -3.713450816e-01 4.66 -3.585183026e-01 -3.585183026e-01 4.68 -3.458370124e-01 -3.458370124e-01 4.70 -3.332482422e-01 -3.332482422e-01 4.72 -3.207037843e-01 -3.207037843e-01 4.74 -3.081611313e-01 -3.081611313e-01 4.76 -2.955844565e-01 -2.955844565e-01 4.78 -2.829456502e-01 -2.829456502e-01 4.80 -2.702253850e-01 -2.702253850e-01 4.82 -2.574142281e-01 -2.574142281e-01 4.84 -2.445135440e-01 -2.445135440e-01 4.86 -2.315363175e-01 -2.315363175e-01 4.88 -2.185075863e-01 -2.185075863e-01 4.90 -2.054644262e-01 -2.054644262e-01 4.92 -1.924553613e-01 -1.924553613e-01 4.94 -1.795391201e-01 -1.795391201e-01 4.96 -1.667827175e-01 -1.667827175e-01 4.98 -1.542589166e-01 -1.542589166e-01 5.00 -1.420432025e-01 -1.420432025e-01 5.02 -1.302104729e-01 -1.302104729e-01 5.04 -1.188316994e-01 -1.188316994e-01 5.06 -1.079708260e-01 -1.079708260e-01 5.08 -9.768215499e-02 -9.768215499e-02 5.10 -8.800840979e-02 -8.800840979e-02 5.12 -7.897958747e-02 -7.897958747e-02 5.14 -7.061262214e-02 -7.061262214e-02 5.16 -6.291179872e-02 -6.291179872e-02 5.18 -5.586979080e-02 -5.586979080e-02 5.20 -4.946915706e-02 -4.946915706e-02 5.22 -4.368411760e-02 -4.368411760e-02 5.24 -3.848244151e-02 -3.848244151e-02 5.26 -3.382730317e-02 -3.382730317e-02 5.28 -2.967900034e-02 -2.967900034e-02 5.30 -2.599645660e-02 -2.599645660e-02 5.32 -2.273848339e-02 -2.273848339e-02 5.34 -1.986478227e-02 -1.986478227e-02 5.36 -1.733669405e-02 -1.733669405e-02 5.38 -1.511725344e-02 -1.511725344e-02 5.40 -1.317259267e-02 -1.317259267e-02 5.42 -1.147182016e-02 -1.147182016e-02 5.44 -9.986623003e-03 -9.986623003e-03 5.46 -8.691310423e-03 -8.691310423e-03 5.48 -7.562761962e-03 -7.562761962e-03 5.50 -6.580311306e-03 -6.580311306e-03 5.52 -5.725589774e-03 -5.725589774e-03 5.54 -4.982347446e-03 -4.982347446e-03 5.56 -4.336265026e-03 -4.336265026e-03 5.58 -3.774765665e-03 -3.774765665e-03 5.60 -3.286832991e-03 -3.286832991e-03 5.62 -2.862839307e-03 -2.862839307e-03 5.64 -2.494386286e-03 -2.494386286e-03 5.66 -2.174159256e-03 -2.174159256e-03 5.68 -1.895795363e-03 -1.895795363e-03 5.70 -1.653765295e-03 -1.653765295e-03 5.72 -1.443267933e-03 -1.443267933e-03 5.74 -1.260137017e-03 -1.260137017e-03 5.76 -1.100758873e-03 -1.100758873e-03 5.78 -9.620001362e-04 -9.620001362e-04 5.80 -8.411444827e-04 -8.411444827e-04 5.82 -7.358373736e-04 -7.358373736e-04 5.84 -6.440379091e-04 -6.440379091e-04 5.86 -5.639769498e-04 -5.639769498e-04 5.88 -4.941207408e-04 -4.941207408e-04 5.90 -4.331393548e-04 -4.331393548e-04 5.92 -3.798793393e-04 -3.798793393e-04 5.94 -3.333400267e-04 -3.333400267e-04 5.96 -2.926530274e-04 -2.926530274e-04 5.98 -2.570644867e-04 -2.570644867e-04 6.00 -2.259197367e-04 -2.259197367e-04