# 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 = Al2TaZr # 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 2.155043067e+02 2.155043067e+02 1.30 2.006986073e+02 2.006986073e+02 1.32 1.869486097e+02 1.869486097e+02 1.34 1.741721414e+02 1.741721414e+02 1.36 1.622924862e+02 1.622924862e+02 1.38 1.512393535e+02 1.512393535e+02 1.40 1.409489864e+02 1.409489864e+02 1.42 1.313632568e+02 1.313632568e+02 1.44 1.224283107e+02 1.224283107e+02 1.46 1.140936486e+02 1.140936486e+02 1.48 1.063122509e+02 1.063122509e+02 1.50 9.904142820e+01 9.904142820e+01 1.52 9.224336708e+01 9.224336708e+01 1.54 8.588470164e+01 8.588470164e+01 1.56 7.993546699e+01 7.993546699e+01 1.58 7.436815052e+01 7.436815052e+01 1.60 6.915715501e+01 6.915715501e+01 1.62 6.427853673e+01 6.427853673e+01 1.64 5.970986231e+01 5.970986231e+01 1.66 5.543009829e+01 5.543009829e+01 1.68 5.141959454e+01 5.141959454e+01 1.70 4.766015653e+01 4.766015653e+01 1.72 4.413506640e+01 4.413506640e+01 1.74 4.082896119e+01 4.082896119e+01 1.76 3.772760308e+01 3.772760308e+01 1.78 3.481768806e+01 3.481768806e+01 1.80 3.208675144e+01 3.208675144e+01 1.82 2.952314865e+01 2.952314865e+01 1.84 2.711681831e+01 2.711681831e+01 1.86 2.486134502e+01 2.486134502e+01 1.88 2.274755099e+01 2.274755099e+01 1.90 2.076648517e+01 2.076648517e+01 1.92 1.890987498e+01 1.890987498e+01 1.94 1.717050177e+01 1.717050177e+01 1.96 1.554403883e+01 1.554403883e+01 1.98 1.402413652e+01 1.402413652e+01 2.00 1.260435018e+01 1.260435018e+01 2.02 1.127863986e+01 1.127863986e+01 2.04 1.004133903e+01 1.004133903e+01 2.06 8.887106814e+00 8.887106814e+00 2.08 7.810869828e+00 7.810869828e+00 2.10 6.807778464e+00 6.807778464e+00 2.12 5.873188273e+00 5.873188273e+00 2.14 5.002668856e+00 5.002668856e+00 2.16 4.192031296e+00 4.192031296e+00 2.18 3.437348019e+00 3.437348019e+00 2.20 2.734967365e+00 2.734967365e+00 2.22 2.081500118e+00 2.081500118e+00 2.24 1.473801660e+00 1.473801660e+00 2.26 9.089527703e-01 9.089527703e-01 2.28 3.842366286e-01 3.842366286e-01 2.30 -1.028663216e-01 -1.028663216e-01 2.32 -5.547059598e-01 -5.547059598e-01 2.34 -9.734692363e-01 -9.734692363e-01 2.36 -1.361198860e+00 -1.361198860e+00 2.38 -1.719800154e+00 -1.719800154e+00 2.40 -2.051046773e+00 -2.051046773e+00 2.42 -2.356592171e+00 -2.356592171e+00 2.44 -2.637978617e+00 -2.637978617e+00 2.46 -2.896657325e+00 -2.896657325e+00 2.48 -3.134004466e+00 -3.134004466e+00 2.50 -3.351336429e+00 -3.351336429e+00 2.52 -3.549924569e+00 -3.549924569e+00 2.54 -3.731011343e+00 -3.731011343e+00 2.56 -3.895826906e+00 -3.895826906e+00 2.58 -4.045542564e+00 -4.045542564e+00 2.60 -4.181359263e+00 -4.181359263e+00 2.62 -4.304578141e+00 -4.304578141e+00 2.64 -4.416428114e+00 -4.416428114e+00 2.66 -4.518070626e+00 -4.518070626e+00 2.68 -4.610421978e+00 -4.610421978e+00 2.70 -4.694193172e+00 -4.694193172e+00 2.72 -4.769948198e+00 -4.769948198e+00 2.74 -4.838121686e+00 -4.838121686e+00 2.76 -4.898968771e+00 -4.898968771e+00 2.78 -4.952615005e+00 -4.952615005e+00 2.80 -4.999182890e+00 -4.999182890e+00 2.82 -5.038774649e+00 -5.038774649e+00 2.84 -5.071411461e+00 -5.071411461e+00 2.86 -5.097122521e+00 -5.097122521e+00 2.88 -5.115978067e+00 -5.115978067e+00 2.90 -5.128086371e+00 -5.128086371e+00 2.92 -5.133592052e+00 -5.133592052e+00 2.94 -5.132675347e+00 -5.132675347e+00 2.96 -5.125551815e+00 -5.125551815e+00 2.98 -5.112471823e+00 -5.112471823e+00 3.00 -5.093719039e+00 -5.093719039e+00 3.02 -5.069607040e+00 -5.069607040e+00 3.04 -5.040470686e+00 -5.040470686e+00 3.06 -5.006668564e+00 -5.006668564e+00 3.08 -4.968554181e+00 -4.968554181e+00 3.10 -4.926554849e+00 -4.926554849e+00 3.12 -4.882046167e+00 -4.882046167e+00 3.14 -4.835297964e+00 -4.835297964e+00 3.16 -4.786179128e+00 -4.786179128e+00 3.18 -4.734613676e+00 -4.734613676e+00 3.20 -4.680575857e+00 -4.680575857e+00 3.22 -4.624088086e+00 -4.624088086e+00 3.24 -4.565219678e+00 -4.565219678e+00 3.26 -4.504085773e+00 -4.504085773e+00 3.28 -4.440845529e+00 -4.440845529e+00 3.30 -4.375704356e+00 -4.375704356e+00 3.32 -4.308915626e+00 -4.308915626e+00 3.34 -4.240751510e+00 -4.240751510e+00 3.36 -4.171487383e+00 -4.171487383e+00 3.38 -4.101388071e+00 -4.101388071e+00 3.40 -4.030694405e+00 -4.030694405e+00 3.42 -3.959617657e+00 -3.959617657e+00 3.44 -3.888327562e+00 -3.888327562e+00 3.46 -3.816955022e+00 -3.816955022e+00 3.48 -3.745592382e+00 -3.745592382e+00 3.50 -3.674297257e+00 -3.674297257e+00 3.52 -3.603097756e+00 -3.603097756e+00 3.54 -3.531998343e+00 -3.531998343e+00 3.56 -3.460985817e+00 -3.460985817e+00 3.58 -3.390035087e+00 -3.390035087e+00 3.60 -3.319114630e+00 -3.319114630e+00 3.62 -3.248191612e+00 -3.248191612e+00 3.64 -3.177236705e+00 -3.177236705e+00 3.66 -3.106228657e+00 -3.106228657e+00 3.68 -3.035158619e+00 -3.035158619e+00 3.70 -2.964034177e+00 -2.964034177e+00 3.72 -2.892882951e+00 -2.892882951e+00 3.74 -2.821755553e+00 -2.821755553e+00 3.76 -2.750727600e+00 -2.750727600e+00 3.78 -2.679900471e+00 -2.679900471e+00 3.80 -2.609400447e+00 -2.609400447e+00 3.82 -2.539375980e+00 -2.539375980e+00 3.84 -2.469992947e+00 -2.469992947e+00 3.86 -2.401427990e+00 -2.401427990e+00 3.88 -2.333860325e+00 -2.333860325e+00 3.90 -2.267462713e+00 -2.267462713e+00 3.92 -2.202390752e+00 -2.202390752e+00 3.94 -2.138782430e+00 -2.138782430e+00 3.96 -2.076740524e+00 -2.076740524e+00 3.98 -2.016337501e+00 -2.016337501e+00 4.00 -1.957612613e+00 -1.957612613e+00 4.02 -1.900573608e+00 -1.900573608e+00 4.04 -1.845200346e+00 -1.845200346e+00 4.06 -1.791449649e+00 -1.791449649e+00 4.08 -1.739260805e+00 -1.739260805e+00 4.10 -1.688557207e+00 -1.688557207e+00 4.12 -1.639268517e+00 -1.639268517e+00 4.14 -1.591309331e+00 -1.591309331e+00 4.16 -1.544602196e+00 -1.544602196e+00 4.18 -1.499076535e+00 -1.499076535e+00 4.20 -1.454671802e+00 -1.454671802e+00 4.22 -1.411339820e+00 -1.411339820e+00 4.24 -1.369046218e+00 -1.369046218e+00 4.26 -1.327770835e+00 -1.327770835e+00 4.28 -1.287507012e+00 -1.287507012e+00 4.30 -1.248259777e+00 -1.248259777e+00 4.32 -1.210043018e+00 -1.210043018e+00 4.34 -1.172875887e+00 -1.172875887e+00 4.36 -1.136778783e+00 -1.136778783e+00 4.38 -1.101769330e+00 -1.101769330e+00 4.40 -1.067858774e+00 -1.067858774e+00 4.42 -1.035049148e+00 -1.035049148e+00 4.44 -1.003331433e+00 -1.003331433e+00 4.46 -9.726847794e-01 -9.726847794e-01 4.48 -9.430767180e-01 -9.430767180e-01 4.50 -9.144641691e-01 -9.144641691e-01 4.52 -8.867950092e-01 -8.867950092e-01 4.54 -8.600099395e-01 -8.600099395e-01 4.56 -8.340444372e-01 -8.340444372e-01 4.58 -8.088306251e-01 -8.088306251e-01 4.60 -7.842989585e-01 -7.842989585e-01 4.62 -7.603796898e-01 -7.603796898e-01 4.64 -7.370041142e-01 -7.370041142e-01 4.66 -7.141056370e-01 -7.141056370e-01 4.68 -6.916207167e-01 -6.916207167e-01 4.70 -6.694897463e-01 -6.694897463e-01 4.72 -6.476579303e-01 -6.476579303e-01 4.74 -6.260761999e-01 -6.260761999e-01 4.76 -6.047021934e-01 -6.047021934e-01 4.78 -5.835013025e-01 -5.835013025e-01 4.80 -5.624447090e-01 -5.624447090e-01 4.82 -5.415231670e-01 -5.415231670e-01 4.84 -5.207280454e-01 -5.207280454e-01 4.86 -5.000660198e-01 -5.000660198e-01 4.88 -4.795558250e-01 -4.795558250e-01 4.90 -4.592282138e-01 -4.592282138e-01 4.92 -4.391253400e-01 -4.391253400e-01 4.94 -4.192994907e-01 -4.192994907e-01 4.96 -3.998111535e-01 -3.998111535e-01 4.98 -3.807264745e-01 -3.807264745e-01 5.00 -3.621142424e-01 -3.621142424e-01 5.02 -3.440426040e-01 -3.440426040e-01 5.04 -3.265757604e-01 -3.265757604e-01 5.06 -3.097709117e-01 -3.097709117e-01 5.08 -2.936756924e-01 -2.936756924e-01 5.10 -2.783262861e-01 -2.783262861e-01 5.12 -2.637463277e-01 -2.637463277e-01 5.14 -2.499466148e-01 -2.499466148e-01 5.16 -2.369255678e-01 -2.369255678e-01 5.18 -2.246703145e-01 -2.246703145e-01 5.20 -2.131582380e-01 -2.131582380e-01 5.22 -2.023588125e-01 -2.023588125e-01 5.24 -1.922355614e-01 -1.922355614e-01 5.26 -1.827479977e-01 -1.827479977e-01 5.28 -1.738534363e-01 -1.738534363e-01 5.30 -1.655086044e-01 -1.655086044e-01 5.32 -1.576710065e-01 -1.576710065e-01 5.34 -1.503000230e-01 -1.503000230e-01 5.36 -1.433577378e-01 -1.433577378e-01 5.38 -1.368093133e-01 -1.368093133e-01 5.40 -1.306237494e-01 -1.306237494e-01 5.42 -1.247738645e-01 -1.247738645e-01 5.44 -1.192360167e-01 -1.192360167e-01 5.46 -1.139898750e-01 -1.139898750e-01 5.48 -1.090180508e-01 -1.090180508e-01 5.50 -1.043056274e-01 -1.043056274e-01 5.52 -9.983963542e-02 -9.983963542e-02 5.54 -9.560852178e-02 -9.560852178e-02 5.56 -9.160164523e-02 -9.160164523e-02 5.58 -8.780884471e-02 -8.780884471e-02 5.60 -8.422010102e-02 -8.422010102e-02 5.62 -8.082528386e-02 -8.082528386e-02 5.64 -7.761388336e-02 -7.761388336e-02 5.66 -7.457538118e-02 -7.457538118e-02 5.68 -7.169905877e-02 -7.169905877e-02 5.70 -6.897401553e-02 -6.897401553e-02 5.72 -6.638930007e-02 -6.638930007e-02 5.74 -6.393404855e-02 -6.393404855e-02 5.76 -6.159761495e-02 -6.159761495e-02 5.78 -5.936968346e-02 -5.936968346e-02 5.80 -5.724035732e-02 -5.724035732e-02 5.82 -5.520022286e-02 -5.520022286e-02 5.84 -5.324038994e-02 -5.324038994e-02 5.86 -5.135251212e-02 -5.135251212e-02 5.88 -4.952879101e-02 -4.952879101e-02 5.90 -4.776196925e-02 -4.776196925e-02 5.92 -4.604531698e-02 -4.604531698e-02 5.94 -4.437261591e-02 -4.437261591e-02 5.96 -4.273814442e-02 -4.273814442e-02 5.98 -4.113666698e-02 -4.113666698e-02 6.00 -3.956343150e-02 -3.956343150e-02