# 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 = Au2CoPd # 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 3.016370903e+02 3.016370903e+02 1.30 2.793928584e+02 2.793928584e+02 1.32 2.587926043e+02 2.587926043e+02 1.34 2.397045847e+02 2.397045847e+02 1.36 2.220075819e+02 2.220075819e+02 1.38 2.055900786e+02 2.055900786e+02 1.40 1.903506600e+02 1.903506600e+02 1.42 1.761981315e+02 1.761981315e+02 1.44 1.630507222e+02 1.630507222e+02 1.46 1.508344898e+02 1.508344898e+02 1.48 1.394812997e+02 1.394812997e+02 1.50 1.289271366e+02 1.289271366e+02 1.52 1.191114997e+02 1.191114997e+02 1.54 1.099777441e+02 1.099777441e+02 1.56 1.014735829e+02 1.014735829e+02 1.58 9.355124230e+01 9.355124230e+01 1.60 8.616725595e+01 8.616725595e+01 1.62 7.928205448e+01 7.928205448e+01 1.64 7.285950695e+01 7.285950695e+01 1.66 6.686651708e+01 6.686651708e+01 1.68 6.127266396e+01 6.127266396e+01 1.70 5.605012844e+01 5.605012844e+01 1.72 5.119132437e+01 5.119132437e+01 1.74 4.668781069e+01 4.668781069e+01 1.76 4.252549148e+01 4.252549148e+01 1.78 3.867879248e+01 3.867879248e+01 1.80 3.512386013e+01 3.512386013e+01 1.82 3.183867912e+01 3.183867912e+01 1.84 2.880294916e+01 2.880294916e+01 1.86 2.599805393e+01 2.599805393e+01 1.88 2.340706752e+01 2.340706752e+01 1.90 2.101470285e+01 2.101470285e+01 1.92 1.880713483e+01 1.880713483e+01 1.94 1.677170759e+01 1.677170759e+01 1.96 1.489660983e+01 1.489660983e+01 1.98 1.317062165e+01 1.317062165e+01 2.00 1.158299237e+01 1.158299237e+01 2.02 1.012344204e+01 1.012344204e+01 2.04 8.782234656e+00 8.782234656e+00 2.06 7.550260690e+00 7.550260690e+00 2.08 6.419085599e+00 6.419085599e+00 2.10 5.380951852e+00 5.380951852e+00 2.12 4.428745805e+00 4.428745805e+00 2.14 3.555947644e+00 3.555947644e+00 2.16 2.756578276e+00 2.756578276e+00 2.18 2.025150098e+00 2.025150098e+00 2.20 1.356623631e+00 1.356623631e+00 2.22 7.463692358e-01 7.463692358e-01 2.24 1.901323302e-01 1.901323302e-01 2.26 -3.159993875e-01 -3.159993875e-01 2.28 -7.756277292e-01 -7.756277292e-01 2.30 -1.192075279e+00 -1.192075279e+00 2.32 -1.568415776e+00 -1.568415776e+00 2.34 -1.907502455e+00 -1.907502455e+00 2.36 -2.211992862e+00 -2.211992862e+00 2.38 -2.484369028e+00 -2.484369028e+00 2.40 -2.726953151e+00 -2.726953151e+00 2.42 -2.941920551e+00 -2.941920551e+00 2.44 -3.131312625e+00 -3.131312625e+00 2.46 -3.297051786e+00 -3.297051786e+00 2.48 -3.440958027e+00 -3.440958027e+00 2.50 -3.564764442e+00 -3.564764442e+00 2.52 -3.670128722e+00 -3.670128722e+00 2.54 -3.758639407e+00 -3.758639407e+00 2.56 -3.831842920e+00 -3.831842920e+00 2.58 -3.891209576e+00 -3.891209576e+00 2.60 -3.938061125e+00 -3.938061125e+00 2.62 -3.973641485e+00 -3.973641485e+00 2.64 -3.999156147e+00 -3.999156147e+00 2.66 -4.015855977e+00 -4.015855977e+00 2.68 -4.024783346e+00 -4.024783346e+00 2.70 -4.026394842e+00 -4.026394842e+00 2.72 -4.021051706e+00 -4.021051706e+00 2.74 -4.009043794e+00 -4.009043794e+00 2.76 -3.990656890e+00 -3.990656890e+00 2.78 -3.966186269e+00 -3.966186269e+00 2.80 -3.935935869e+00 -3.935935869e+00 2.82 -3.900221534e+00 -3.900221534e+00 2.84 -3.859415086e+00 -3.859415086e+00 2.86 -3.813906609e+00 -3.813906609e+00 2.88 -3.764093270e+00 -3.764093270e+00 2.90 -3.710379647e+00 -3.710379647e+00 2.92 -3.653176479e+00 -3.653176479e+00 2.94 -3.592898038e+00 -3.592898038e+00 2.96 -3.529958687e+00 -3.529958687e+00 2.98 -3.464769376e+00 -3.464769376e+00 3.00 -3.397734518e+00 -3.397734518e+00 3.02 -3.329248924e+00 -3.329248924e+00 3.04 -3.259693815e+00 -3.259693815e+00 3.06 -3.189430943e+00 -3.189430943e+00 3.08 -3.118794706e+00 -3.118794706e+00 3.10 -3.048083534e+00 -3.048083534e+00 3.12 -2.977552606e+00 -2.977552606e+00 3.14 -2.907409965e+00 -2.907409965e+00 3.16 -2.837816986e+00 -2.837816986e+00 3.18 -2.768892945e+00 -2.768892945e+00 3.20 -2.700722349e+00 -2.700722349e+00 3.22 -2.633363411e+00 -2.633363411e+00 3.24 -2.566856222e+00 -2.566856222e+00 3.26 -2.501229691e+00 -2.501229691e+00 3.28 -2.436506847e+00 -2.436506847e+00 3.30 -2.372708492e+00 -2.372708492e+00 3.32 -2.309855430e+00 -2.309855430e+00 3.34 -2.247969579e+00 -2.247969579e+00 3.36 -2.187074287e+00 -2.187074287e+00 3.38 -2.127194100e+00 -2.127194100e+00 3.40 -2.068354199e+00 -2.068354199e+00 3.42 -2.010579652e+00 -2.010579652e+00 3.44 -1.953894582e+00 -1.953894582e+00 3.46 -1.898321341e+00 -1.898321341e+00 3.48 -1.843879728e+00 -1.843879728e+00 3.50 -1.790586298e+00 -1.790586298e+00 3.52 -1.738453788e+00 -1.738453788e+00 3.54 -1.687490671e+00 -1.687490671e+00 3.56 -1.637700841e+00 -1.637700841e+00 3.58 -1.589083441e+00 -1.589083441e+00 3.60 -1.541632834e+00 -1.541632834e+00 3.62 -1.495338696e+00 -1.495338696e+00 3.64 -1.450186255e+00 -1.450186255e+00 3.66 -1.406156636e+00 -1.406156636e+00 3.68 -1.363227333e+00 -1.363227333e+00 3.70 -1.321372758e+00 -1.321372758e+00 3.72 -1.280564860e+00 -1.280564860e+00 3.74 -1.240773779e+00 -1.240773779e+00 3.76 -1.201968493e+00 -1.201968493e+00 3.78 -1.164117433e+00 -1.164117433e+00 3.80 -1.127189028e+00 -1.127189028e+00 3.82 -1.091152172e+00 -1.091152172e+00 3.84 -1.055976587e+00 -1.055976587e+00 3.86 -1.021633101e+00 -1.021633101e+00 3.88 -9.880938484e-01 -9.880938484e-01 3.90 -9.553324120e-01 -9.553324120e-01 3.92 -9.233239347e-01 -9.233239347e-01 3.94 -8.920452350e-01 -8.920452350e-01 3.96 -8.614749374e-01 -8.614749374e-01 3.98 -8.315936451e-01 -8.315936451e-01 4.00 -8.023841492e-01 -8.023841492e-01 4.02 -7.738316623e-01 -7.738316623e-01 4.04 -7.459240512e-01 -7.459240512e-01 4.06 -7.186520297e-01 -7.186520297e-01 4.08 -6.920092726e-01 -6.920092726e-01 4.10 -6.659924203e-01 -6.659924203e-01 4.12 -6.406009718e-01 -6.406009718e-01 4.14 -6.158370498e-01 -6.158370498e-01 4.16 -5.917051095e-01 -5.917051095e-01 4.18 -5.682116000e-01 -5.682116000e-01 4.20 -5.453646202e-01 -5.453646202e-01 4.22 -5.231735659e-01 -5.231735659e-01 4.24 -5.016487335e-01 -5.016487335e-01 4.26 -4.808008133e-01 -4.808008133e-01 4.28 -4.606402025e-01 -4.606402025e-01 4.30 -4.411760957e-01 -4.411760957e-01 4.32 -4.224153683e-01 -4.224153683e-01 4.34 -4.043613382e-01 -4.043613382e-01 4.36 -3.870125515e-01 -3.870125515e-01 4.38 -3.703617640e-01 -3.703617640e-01 4.40 -3.543952759e-01 -3.543952759e-01 4.42 -3.390927247e-01 -3.390927247e-01 4.44 -3.244273671e-01 -3.244273671e-01 4.46 -3.103668080e-01 -3.103668080e-01 4.48 -2.968740783e-01 -2.968740783e-01 4.50 -2.839089363e-01 -2.839089363e-01 4.52 -2.714292632e-01 -2.714292632e-01 4.54 -2.593924442e-01 -2.593924442e-01 4.56 -2.477566530e-01 -2.477566530e-01 4.58 -2.364819877e-01 -2.364819877e-01 4.60 -2.255314349e-01 -2.255314349e-01 4.62 -2.148716493e-01 -2.148716493e-01 4.64 -2.044735543e-01 -2.044735543e-01 4.66 -1.943127649e-01 -1.943127649e-01 4.68 -1.843698407e-01 -1.843698407e-01 4.70 -1.746303728e-01 -1.746303728e-01 4.72 -1.650849147e-01 -1.650849147e-01 4.74 -1.557287703e-01 -1.557287703e-01 4.76 -1.465616619e-01 -1.465616619e-01 4.78 -1.375873096e-01 -1.375873096e-01 4.80 -1.288129569e-01 -1.288129569e-01 4.82 -1.202488872e-01 -1.202488872e-01 4.84 -1.119079388e-01 -1.119079388e-01 4.86 -1.038050575e-01 -1.038050575e-01 4.88 -9.595685736e-02 -9.595685736e-02 4.90 -8.838117391e-02 -8.838117391e-02 4.92 -8.109656917e-02 -8.109656917e-02 4.94 -7.412175560e-02 -7.412175560e-02 4.96 -6.747491881e-02 -6.747491881e-02 4.98 -6.117294442e-02 -6.117294442e-02 5.00 -5.523059221e-02 -5.523059221e-02 5.02 -4.965967897e-02 -4.965967897e-02 5.04 -4.446834730e-02 -4.446834730e-02 5.06 -3.966028174e-02 -3.966028174e-02 5.08 -3.523463134e-02 -3.523463134e-02 5.10 -3.118640434e-02 -3.118640434e-02 5.12 -2.750604783e-02 -2.750604783e-02 5.14 -2.417990394e-02 -2.417990394e-02 5.16 -2.119084910e-02 -2.119084910e-02 5.18 -1.851904215e-02 -1.851904215e-02 5.20 -1.614269393e-02 -1.614269393e-02 5.22 -1.403863943e-02 -1.403863943e-02 5.24 -1.218358862e-02 -1.218358862e-02 5.26 -1.055445035e-02 -1.055445035e-02 5.28 -9.128720071e-03 -9.128720071e-03 5.30 -7.884888478e-03 -7.884888478e-03 5.32 -6.802732997e-03 -6.802732997e-03 5.34 -5.863505193e-03 -5.863505193e-03 5.36 -5.050030209e-03 -5.050030209e-03 5.38 -4.346735526e-03 -4.346735526e-03 5.40 -3.739625648e-03 -3.739625648e-03 5.42 -3.216217617e-03 -3.216217617e-03 5.44 -2.765450101e-03 -2.765450101e-03 5.46 -2.377576416e-03 -2.377576416e-03 5.48 -2.044049595e-03 -2.044049595e-03 5.50 -1.757405614e-03 -1.757405614e-03 5.52 -1.511149121e-03 -1.511149121e-03 5.54 -1.299644667e-03 -1.299644667e-03 5.56 -1.118015278e-03 -1.118015278e-03 5.58 -9.620494043e-04 -9.620494043e-04 5.60 -8.281166340e-04 -8.281166340e-04 5.62 -7.130921556e-04 -7.130921556e-04 5.64 -6.142896194e-04 -6.142896194e-04 5.66 -5.294018900e-04 -5.294018900e-04 5.68 -4.564490648e-04 -4.564490648e-04 5.70 -3.937330872e-04 -3.937330872e-04 5.72 -3.397982791e-04 -3.397982791e-04 5.74 -2.933971355e-04 -2.933971355e-04 5.76 -2.534607630e-04 -2.534607630e-04 5.78 -2.190733921e-04 -2.190733921e-04 5.80 -1.894504434e-04 -1.894504434e-04 5.82 -1.639196838e-04 -1.639196838e-04 5.84 -1.419050567e-04 -1.419050567e-04 5.86 -1.229128224e-04 -1.229128224e-04 5.88 -1.065196886e-04 -1.065196886e-04 5.90 -9.236265064e-05 -9.236265064e-05 5.92 -8.013030107e-05 -8.013030107e-05 5.94 -6.955539710e-05 -6.955539710e-05 5.96 -6.040850617e-05 -6.040850617e-05 5.98 -5.249257367e-05 -5.249257367e-05 6.00 -4.563827900e-05 -4.563827900e-05