# 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 = AgAu2W # 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 3.997767650e+02 3.997767650e+02 1.30 3.706250587e+02 3.706250587e+02 1.32 3.436274105e+02 3.436274105e+02 1.34 3.186117107e+02 3.186117107e+02 1.36 2.954250827e+02 2.954250827e+02 1.38 2.739304104e+02 2.739304104e+02 1.40 2.540026332e+02 2.540026332e+02 1.42 2.355253493e+02 2.355253493e+02 1.44 2.183887323e+02 2.183887323e+02 1.46 2.024889865e+02 2.024889865e+02 1.48 1.877287418e+02 1.877287418e+02 1.50 1.740177216e+02 1.740177216e+02 1.52 1.612732163e+02 1.612732163e+02 1.54 1.494200549e+02 1.494200549e+02 1.56 1.383900411e+02 1.383900411e+02 1.58 1.281210826e+02 1.281210826e+02 1.60 1.185563031e+02 1.185563031e+02 1.62 1.096432955e+02 1.096432955e+02 1.64 1.013335587e+02 1.013335587e+02 1.66 9.358213229e+01 9.358213229e+01 1.68 8.634744610e+01 8.634744610e+01 1.70 7.959135346e+01 7.959135346e+01 1.72 7.327926191e+01 7.327926191e+01 1.74 6.738024517e+01 6.738024517e+01 1.76 6.186701383e+01 6.186701383e+01 1.78 5.671573633e+01 5.671573633e+01 1.80 5.190581980e+01 5.190581980e+01 1.82 4.742144347e+01 4.742144347e+01 1.84 4.326742411e+01 4.326742411e+01 1.86 3.942865954e+01 3.942865954e+01 1.88 3.588430404e+01 3.588430404e+01 1.90 3.261385091e+01 3.261385091e+01 1.92 2.959745248e+01 2.959745248e+01 1.94 2.681612547e+01 2.681612547e+01 1.96 2.425188782e+01 2.425188782e+01 1.98 2.188782800e+01 2.188782800e+01 2.00 1.970813767e+01 1.970813767e+01 2.02 1.769812352e+01 1.769812352e+01 2.04 1.584418988e+01 1.584418988e+01 2.06 1.413378488e+01 1.413378488e+01 2.08 1.255532202e+01 1.255532202e+01 2.10 1.109810380e+01 1.109810380e+01 2.12 9.752269070e+00 9.752269070e+00 2.14 8.508769415e+00 8.508769415e+00 2.16 7.359362766e+00 7.359362766e+00 2.18 6.296605236e+00 6.296605236e+00 2.20 5.313825146e+00 5.313825146e+00 2.22 4.405072487e+00 4.405072487e+00 2.24 3.565046517e+00 3.565046517e+00 2.26 2.789010038e+00 2.789010038e+00 2.28 2.072700598e+00 2.072700598e+00 2.30 1.412247394e+00 1.412247394e+00 2.32 8.040995727e-01 8.040995727e-01 2.34 2.449682674e-01 2.449682674e-01 2.36 -2.682150743e-01 -2.682150743e-01 2.38 -7.382516045e-01 -7.382516045e-01 2.40 -1.167908776e+00 -1.167908776e+00 2.42 -1.559860733e+00 -1.559860733e+00 2.44 -1.916630175e+00 -1.916630175e+00 2.46 -2.240602402e+00 -2.240602402e+00 2.48 -2.534037105e+00 -2.534037105e+00 2.50 -2.799078869e+00 -2.799078869e+00 2.52 -3.037750109e+00 -3.037750109e+00 2.54 -3.251762250e+00 -3.251762250e+00 2.56 -3.442635131e+00 -3.442635131e+00 2.58 -3.611875882e+00 -3.611875882e+00 2.60 -3.760970589e+00 -3.760970589e+00 2.62 -3.891366926e+00 -3.891366926e+00 2.64 -4.004452043e+00 -4.004452043e+00 2.66 -4.101529278e+00 -4.101529278e+00 2.68 -4.183799390e+00 -4.183799390e+00 2.70 -4.252351167e+00 -4.252351167e+00 2.72 -4.308163013e+00 -4.308163013e+00 2.74 -4.352113451e+00 -4.352113451e+00 2.76 -4.384996351e+00 -4.384996351e+00 2.78 -4.407536780e+00 -4.407536780e+00 2.80 -4.420404773e+00 -4.420404773e+00 2.82 -4.424235115e+00 -4.424235115e+00 2.84 -4.419761388e+00 -4.419761388e+00 2.86 -4.407461766e+00 -4.407461766e+00 2.88 -4.387729912e+00 -4.387729912e+00 2.90 -4.360972257e+00 -4.360972257e+00 2.92 -4.327607493e+00 -4.327607493e+00 2.94 -4.288129722e+00 -4.288129722e+00 2.96 -4.243076230e+00 -4.243076230e+00 2.98 -4.192648222e+00 -4.192648222e+00 3.00 -4.137086969e+00 -4.137086969e+00 3.02 -4.076698460e+00 -4.076698460e+00 3.04 -4.011858338e+00 -4.011858338e+00 3.06 -3.943007447e+00 -3.943007447e+00 3.08 -3.870637935e+00 -3.870637935e+00 3.10 -3.795241885e+00 -3.795241885e+00 3.12 -3.717283935e+00 -3.717283935e+00 3.14 -3.637181934e+00 -3.637181934e+00 3.16 -3.555294346e+00 -3.555294346e+00 3.18 -3.471915567e+00 -3.471915567e+00 3.20 -3.387278636e+00 -3.387278636e+00 3.22 -3.301563729e+00 -3.301563729e+00 3.24 -3.214910372e+00 -3.214910372e+00 3.26 -3.127431415e+00 -3.127431415e+00 3.28 -3.039227259e+00 -3.039227259e+00 3.30 -2.950399300e+00 -2.950399300e+00 3.32 -2.861061908e+00 -2.861061908e+00 3.34 -2.771352453e+00 -2.771352453e+00 3.36 -2.681438937e+00 -2.681438937e+00 3.38 -2.591524791e+00 -2.591524791e+00 3.40 -2.501850423e+00 -2.501850423e+00 3.42 -2.412691208e+00 -2.412691208e+00 3.44 -2.324351854e+00 -2.324351854e+00 3.46 -2.237157392e+00 -2.237157392e+00 3.48 -2.151441466e+00 -2.151441466e+00 3.50 -2.067532913e+00 -2.067532913e+00 3.52 -1.985741919e+00 -1.985741919e+00 3.54 -1.906347107e+00 -1.906347107e+00 3.56 -1.829584747e+00 -1.829584747e+00 3.58 -1.755641028e+00 -1.755641028e+00 3.60 -1.684647858e+00 -1.684647858e+00 3.62 -1.616682215e+00 -1.616682215e+00 3.64 -1.551768683e+00 -1.551768683e+00 3.66 -1.489884513e+00 -1.489884513e+00 3.68 -1.430966405e+00 -1.430966405e+00 3.70 -1.374918197e+00 -1.374918197e+00 3.72 -1.321618763e+00 -1.321618763e+00 3.74 -1.270929525e+00 -1.270929525e+00 3.76 -1.222701225e+00 -1.222701225e+00 3.78 -1.176779700e+00 -1.176779700e+00 3.80 -1.133010596e+00 -1.133010596e+00 3.82 -1.091243022e+00 -1.091243022e+00 3.84 -1.051332221e+00 -1.051332221e+00 3.86 -1.013141389e+00 -1.013141389e+00 3.88 -9.765427594e-01 -9.765427594e-01 3.90 -9.414181011e-01 -9.414181011e-01 3.92 -9.076587590e-01 -9.076587590e-01 3.94 -8.751653613e-01 -8.751653613e-01 3.96 -8.438472926e-01 -8.438472926e-01 3.98 -8.136220502e-01 -8.136220502e-01 4.00 -7.844145521e-01 -7.844145521e-01 4.02 -7.561564768e-01 -7.561564768e-01 4.04 -7.287856891e-01 -7.287856891e-01 4.06 -7.022457985e-01 -7.022457985e-01 4.08 -6.764858779e-01 -6.764858779e-01 4.10 -6.514603538e-01 -6.514603538e-01 4.12 -6.271290834e-01 -6.271290834e-01 4.14 -6.034575476e-01 -6.034575476e-01 4.16 -5.804171818e-01 -5.804171818e-01 4.18 -5.579857285e-01 -5.579857285e-01 4.20 -5.361475439e-01 -5.361475439e-01 4.22 -5.148937530e-01 -5.148937530e-01 4.24 -4.942221441e-01 -4.942221441e-01 4.26 -4.741367033e-01 -4.741367033e-01 4.28 -4.546467218e-01 -4.546467218e-01 4.30 -4.357654571e-01 -4.357654571e-01 4.32 -4.175083984e-01 -4.175083984e-01 4.34 -3.998912540e-01 -3.998912540e-01 4.36 -3.829278406e-01 -3.829278406e-01 4.38 -3.666280857e-01 -3.666280857e-01 4.40 -3.509963510e-01 -3.509963510e-01 4.42 -3.360302446e-01 -3.360302446e-01 4.44 -3.217200148e-01 -3.217200148e-01 4.46 -3.080485414e-01 -3.080485414e-01 4.48 -2.949918558e-01 -2.949918558e-01 4.50 -2.825200707e-01 -2.825200707e-01 4.52 -2.705985708e-01 -2.705985708e-01 4.54 -2.591893143e-01 -2.591893143e-01 4.56 -2.482521220e-01 -2.482521220e-01 4.58 -2.377458616e-01 -2.377458616e-01 4.60 -2.276294760e-01 -2.276294760e-01 4.62 -2.178628359e-01 -2.178628359e-01 4.64 -2.084074260e-01 -2.084074260e-01 4.66 -1.992268909e-01 -1.992268909e-01 4.68 -1.902874742e-01 -1.902874742e-01 4.70 -1.815583897e-01 -1.815583897e-01 4.72 -1.730121548e-01 -1.730121548e-01 4.74 -1.646249140e-01 -1.646249140e-01 4.76 -1.563767669e-01 -1.563767669e-01 4.78 -1.482521026e-01 -1.482521026e-01 4.80 -1.402399309e-01 -1.402399309e-01 4.82 -1.323341948e-01 -1.323341948e-01 4.84 -1.245340073e-01 -1.245340073e-01 4.86 -1.168437988e-01 -1.168437988e-01 4.88 -1.092733013e-01 -1.092733013e-01 4.90 -1.018373318e-01 -1.018373318e-01 4.92 -9.455533334e-02 -9.455533334e-02 4.94 -8.745065192e-02 -8.745065192e-02 4.96 -8.054955252e-02 -8.054955252e-02 4.98 -7.388000984e-02 -7.388000984e-02 5.00 -6.747033731e-02 -6.747033731e-02 5.02 -6.134774628e-02 -6.134774628e-02 5.04 -5.553694373e-02 -5.553694373e-02 5.06 -5.005887920e-02 -5.005887920e-02 5.08 -4.492964491e-02 -4.492964491e-02 5.10 -4.015975881e-02 -4.015975881e-02 5.12 -3.575432704e-02 -3.575432704e-02 5.14 -3.171267650e-02 -3.171267650e-02 5.16 -2.802867395e-02 -2.802867395e-02 5.18 -2.469133040e-02 -2.469133040e-02 5.20 -2.168555270e-02 -2.168555270e-02 5.22 -1.899267509e-02 -1.899267509e-02 5.24 -1.659231900e-02 -1.659231900e-02 5.26 -1.446274957e-02 -1.446274957e-02 5.28 -1.258145058e-02 -1.258145058e-02 5.30 -1.092582883e-02 -1.092582883e-02 5.32 -9.473780080e-03 -9.473780080e-03 5.34 -8.204118798e-03 -8.204118798e-03 5.36 -7.096882959e-03 -7.096882959e-03 5.38 -6.133529972e-03 -6.133529972e-03 5.40 -5.297042316e-03 -5.297042316e-03 5.42 -4.571961451e-03 -4.571961451e-03 5.44 -3.944367338e-03 -3.944367338e-03 5.46 -3.401818766e-03 -3.401818766e-03 5.48 -2.933267268e-03 -2.933267268e-03 5.50 -2.528954892e-03 -2.528954892e-03 5.52 -2.180303849e-03 -2.180303849e-03 5.54 -1.879803990e-03 -1.879803990e-03 5.56 -1.620902391e-03 -1.620902391e-03 5.58 -1.397897978e-03 -1.397897978e-03 5.60 -1.205843012e-03 -1.205843012e-03 5.62 -1.040452463e-03 -1.040452463e-03 5.64 -8.980217104e-04 -8.980217104e-04 5.66 -7.753525654e-04 -7.753525654e-04 5.68 -6.696873308e-04 -6.696873308e-04 5.70 -5.786504356e-04 -5.786504356e-04 5.72 -5.001970693e-04 -5.001970693e-04 5.74 -4.325681911e-04 -4.325681911e-04 5.76 -3.742512810e-04 -3.742512810e-04 5.78 -3.239462148e-04 -3.239462148e-04 5.80 -2.805356751e-04 -2.805356751e-04 5.82 -2.430595561e-04 -2.430595561e-04 5.84 -2.106928662e-04 -2.106928662e-04 5.86 -1.827266791e-04 -1.827266791e-04 5.88 -1.585517360e-04 -1.585517360e-04 5.90 -1.376443444e-04 -1.376443444e-04 5.92 -1.195542618e-04 -1.195542618e-04 5.94 -1.038942923e-04 -1.038942923e-04 5.96 -9.033135830e-05 -9.033135830e-05 5.98 -7.857884128e-05 -7.857884128e-05 6.00 -6.839001252e-05 -6.839001252e-05