# 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 = CuWZr2 # 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 3.250218026e+02 3.250218026e+02 1.30 3.011539598e+02 3.011539598e+02 1.32 2.790708106e+02 2.790708106e+02 1.34 2.586267050e+02 2.586267050e+02 1.36 2.396863143e+02 2.396863143e+02 1.38 2.221252360e+02 2.221252360e+02 1.40 2.058307324e+02 2.058307324e+02 1.42 1.907010631e+02 1.907010631e+02 1.44 1.766439148e+02 1.766439148e+02 1.46 1.635754355e+02 1.635754355e+02 1.48 1.514200040e+02 1.514200040e+02 1.50 1.401096509e+02 1.401096509e+02 1.52 1.295829306e+02 1.295829306e+02 1.54 1.197838651e+02 1.197838651e+02 1.56 1.106614616e+02 1.106614616e+02 1.58 1.021697438e+02 1.021697438e+02 1.60 9.426754190e+01 9.426754190e+01 1.62 8.691763813e+01 8.691763813e+01 1.64 8.008550217e+01 8.008550217e+01 1.66 7.373817234e+01 7.373817234e+01 1.68 6.784362105e+01 6.784362105e+01 1.70 6.237075683e+01 6.237075683e+01 1.72 5.728966668e+01 5.728966668e+01 1.74 5.257193217e+01 5.257193217e+01 1.76 4.819082773e+01 4.819082773e+01 1.78 4.412143829e+01 4.412143829e+01 1.80 4.034061953e+01 4.034061953e+01 1.82 3.682692687e+01 3.682692687e+01 1.84 3.356039404e+01 3.356039404e+01 1.86 3.052252907e+01 3.052252907e+01 1.88 2.769641251e+01 2.769641251e+01 1.90 2.506683996e+01 2.506683996e+01 1.92 2.262027629e+01 2.262027629e+01 1.94 2.034464995e+01 2.034464995e+01 1.96 1.822905794e+01 1.822905794e+01 1.98 1.626449967e+01 1.626449967e+01 2.00 1.444193648e+01 1.444193648e+01 2.02 1.275228203e+01 1.275228203e+01 2.04 1.118681279e+01 1.118681279e+01 2.06 9.737086471e+00 9.737086471e+00 2.08 8.394899679e+00 8.394899679e+00 2.10 7.152239785e+00 7.152239785e+00 2.12 6.001371174e+00 6.001371174e+00 2.14 4.934972139e+00 4.934972139e+00 2.16 3.946309394e+00 3.946309394e+00 2.18 3.029339386e+00 3.029339386e+00 2.20 2.178725270e+00 2.178725270e+00 2.22 1.389747905e+00 1.389747905e+00 2.24 6.581980154e-01 6.581980154e-01 2.26 -1.971432548e-02 -1.971432548e-02 2.28 -6.474348038e-01 -6.474348038e-01 2.30 -1.228079671e+00 -1.228079671e+00 2.32 -1.764520572e+00 -1.764520572e+00 2.34 -2.259377456e+00 -2.259377456e+00 2.36 -2.715097646e+00 -2.715097646e+00 2.38 -3.133986236e+00 -3.133986236e+00 2.40 -3.518240541e+00 -3.518240541e+00 2.42 -3.869987046e+00 -3.869987046e+00 2.44 -4.191298157e+00 -4.191298157e+00 2.46 -4.484211144e+00 -4.484211144e+00 2.48 -4.750721963e+00 -4.750721963e+00 2.50 -4.992763859e+00 -4.992763859e+00 2.52 -5.212174646e+00 -5.212174646e+00 2.54 -5.410661415e+00 -5.410661415e+00 2.56 -5.589772356e+00 -5.589772356e+00 2.58 -5.750884350e+00 -5.750884350e+00 2.60 -5.895210869e+00 -5.895210869e+00 2.62 -6.023823146e+00 -6.023823146e+00 2.64 -6.137704542e+00 -6.137704542e+00 2.66 -6.237753280e+00 -6.237753280e+00 2.68 -6.324831333e+00 -6.324831333e+00 2.70 -6.399772744e+00 -6.399772744e+00 2.72 -6.463365426e+00 -6.463365426e+00 2.74 -6.516344794e+00 -6.516344794e+00 2.76 -6.559494899e+00 -6.559494899e+00 2.78 -6.593555086e+00 -6.593555086e+00 2.80 -6.619309595e+00 -6.619309595e+00 2.82 -6.637281725e+00 -6.637281725e+00 2.84 -6.647908416e+00 -6.647908416e+00 2.86 -6.651607590e+00 -6.651607590e+00 2.88 -6.648787667e+00 -6.648787667e+00 2.90 -6.639856291e+00 -6.639856291e+00 2.92 -6.625195378e+00 -6.625195378e+00 2.94 -6.605073359e+00 -6.605073359e+00 2.96 -6.579701860e+00 -6.579701860e+00 2.98 -6.549100620e+00 -6.549100620e+00 3.00 -6.513292105e+00 -6.513292105e+00 3.02 -6.472348184e+00 -6.472348184e+00 3.04 -6.426365770e+00 -6.426365770e+00 3.06 -6.375465608e+00 -6.375465608e+00 3.08 -6.319757520e+00 -6.319757520e+00 3.10 -6.259530534e+00 -6.259530534e+00 3.12 -6.194875521e+00 -6.194875521e+00 3.14 -6.125667947e+00 -6.125667947e+00 3.16 -6.051835500e+00 -6.051835500e+00 3.18 -5.973370208e+00 -5.973370208e+00 3.20 -5.890316103e+00 -5.890316103e+00 3.22 -5.802764358e+00 -5.802764358e+00 3.24 -5.710851105e+00 -5.710851105e+00 3.26 -5.614762423e+00 -5.614762423e+00 3.28 -5.514749526e+00 -5.514749526e+00 3.30 -5.411110870e+00 -5.411110870e+00 3.32 -5.304185750e+00 -5.304185750e+00 3.34 -5.194350120e+00 -5.194350120e+00 3.36 -5.082009432e+00 -5.082009432e+00 3.38 -4.967590460e+00 -4.967590460e+00 3.40 -4.851532467e+00 -4.851532467e+00 3.42 -4.734288977e+00 -4.734288977e+00 3.44 -4.616312864e+00 -4.616312864e+00 3.46 -4.498060362e+00 -4.498060362e+00 3.48 -4.379983556e+00 -4.379983556e+00 3.50 -4.262522651e+00 -4.262522651e+00 3.52 -4.146096130e+00 -4.146096130e+00 3.54 -4.031089829e+00 -4.031089829e+00 3.56 -3.917846440e+00 -3.917846440e+00 3.58 -3.806656864e+00 -3.806656864e+00 3.60 -3.697754530e+00 -3.697754530e+00 3.62 -3.591313278e+00 -3.591313278e+00 3.64 -3.487448855e+00 -3.487448855e+00 3.66 -3.386223695e+00 -3.386223695e+00 3.68 -3.287654328e+00 -3.287654328e+00 3.70 -3.191720673e+00 -3.191720673e+00 3.72 -3.098376410e+00 -3.098376410e+00 3.74 -3.007559655e+00 -3.007559655e+00 3.76 -2.919203204e+00 -2.919203204e+00 3.78 -2.833243612e+00 -2.833243612e+00 3.80 -2.749628398e+00 -2.749628398e+00 3.82 -2.668320704e+00 -2.668320704e+00 3.84 -2.589300896e+00 -2.589300896e+00 3.86 -2.512564865e+00 -2.512564865e+00 3.88 -2.438119289e+00 -2.438119289e+00 3.90 -2.365974614e+00 -2.365974614e+00 3.92 -2.296133402e+00 -2.296133402e+00 3.94 -2.228597921e+00 -2.228597921e+00 3.96 -2.163340417e+00 -2.163340417e+00 3.98 -2.100316982e+00 -2.100316982e+00 4.00 -2.039462922e+00 -2.039462922e+00 4.02 -1.980695180e+00 -1.980695180e+00 4.04 -1.923916499e+00 -1.923916499e+00 4.06 -1.869020384e+00 -1.869020384e+00 4.08 -1.815896041e+00 -1.815896041e+00 4.10 -1.764424042e+00 -1.764424042e+00 4.12 -1.714516102e+00 -1.714516102e+00 4.14 -1.666060229e+00 -1.666060229e+00 4.16 -1.618962680e+00 -1.618962680e+00 4.18 -1.573138129e+00 -1.573138129e+00 4.20 -1.528510058e+00 -1.528510058e+00 4.22 -1.485010830e+00 -1.485010830e+00 4.24 -1.442581584e+00 -1.442581584e+00 4.26 -1.401172063e+00 -1.401172063e+00 4.28 -1.360740415e+00 -1.360740415e+00 4.30 -1.321252999e+00 -1.321252999e+00 4.32 -1.282684161e+00 -1.282684161e+00 4.34 -1.245015923e+00 -1.245015923e+00 4.36 -1.208237520e+00 -1.208237520e+00 4.38 -1.172344721e+00 -1.172344721e+00 4.40 -1.137338861e+00 -1.137338861e+00 4.42 -1.103225590e+00 -1.103225590e+00 4.44 -1.070013355e+00 -1.070013355e+00 4.46 -1.037711699e+00 -1.037711699e+00 4.48 -1.006329515e+00 -1.006329515e+00 4.50 -9.758733928e-01 -9.758733928e-01 4.52 -9.463462207e-01 -9.463462207e-01 4.54 -9.177461550e-01 -9.177461550e-01 4.56 -8.900660376e-01 -8.900660376e-01 4.58 -8.632932664e-01 -8.632932664e-01 4.60 -8.374100792e-01 -8.374100792e-01 4.62 -8.123941607e-01 -8.123941607e-01 4.64 -7.882194682e-01 -7.882194682e-01 4.66 -7.648571605e-01 -7.648571605e-01 4.68 -7.422765345e-01 -7.422765345e-01 4.70 -7.204458940e-01 -7.204458940e-01 4.72 -6.993332992e-01 -6.993332992e-01 4.74 -6.789071750e-01 -6.789071750e-01 4.76 -6.591367708e-01 -6.591367708e-01 4.78 -6.399924817e-01 -6.399924817e-01 4.80 -6.214398443e-01 -6.214398443e-01 4.82 -6.034655074e-01 -6.034655074e-01 4.84 -5.860366872e-01 -5.860366872e-01 4.86 -5.691295062e-01 -5.691295062e-01 4.88 -5.527214400e-01 -5.527214400e-01 4.90 -5.367912187e-01 -5.367912187e-01 4.92 -5.213187130e-01 -5.213187130e-01 4.94 -5.062848153e-01 -5.062848153e-01 4.96 -4.916713210e-01 -4.916713210e-01 4.98 -4.774608154e-01 -4.774608154e-01 5.00 -4.636365684e-01 -4.636365684e-01 5.02 -4.501824418e-01 -4.501824418e-01 5.04 -4.370828076e-01 -4.370828076e-01 5.06 -4.243224837e-01 -4.243224837e-01 5.08 -4.118866837e-01 -4.118866837e-01 5.10 -3.997609882e-01 -3.997609882e-01 5.12 -3.879313352e-01 -3.879313352e-01 5.14 -3.763840350e-01 -3.763840350e-01 5.16 -3.651058118e-01 -3.651058118e-01 5.18 -3.540838738e-01 -3.540838738e-01 5.20 -3.433060153e-01 -3.433060153e-01 5.22 -3.327607506e-01 -3.327607506e-01 5.24 -3.224374809e-01 -3.224374809e-01 5.26 -3.123266909e-01 -3.123266909e-01 5.28 -3.024201674e-01 -3.024201674e-01 5.30 -2.927112319e-01 -2.927112319e-01 5.32 -2.831949694e-01 -2.831949694e-01 5.34 -2.738684339e-01 -2.738684339e-01 5.36 -2.647308048e-01 -2.647308048e-01 5.38 -2.557834676e-01 -2.557834676e-01 5.40 -2.470299899e-01 -2.470299899e-01 5.42 -2.384759713e-01 -2.384759713e-01 5.44 -2.301287531e-01 -2.301287531e-01 5.46 -2.219969877e-01 -2.219969877e-01 5.48 -2.140900833e-01 -2.140900833e-01 5.50 -2.064175609e-01 -2.064175609e-01 5.52 -1.989883700e-01 -1.989883700e-01 5.54 -1.918102216e-01 -1.918102216e-01 5.56 -1.848889964e-01 -1.848889964e-01 5.58 -1.782282797e-01 -1.782282797e-01 5.60 -1.718288280e-01 -1.718288280e-01 5.62 -1.656887821e-01 -1.656887821e-01 5.64 -1.598039413e-01 -1.598039413e-01 5.66 -1.541675388e-01 -1.541675388e-01 5.68 -1.487705637e-01 -1.487705637e-01 5.70 -1.436021572e-01 -1.436021572e-01 5.72 -1.386500390e-01 -1.386500390e-01 5.74 -1.339009293e-01 -1.339009293e-01 5.76 -1.293409381e-01 -1.293409381e-01 5.78 -1.249559046e-01 -1.249559046e-01 5.80 -1.207316777e-01 -1.207316777e-01 5.82 -1.166543362e-01 -1.166543362e-01 5.84 -1.127103532e-01 -1.127103532e-01 5.86 -1.088867111e-01 -1.088867111e-01 5.88 -1.051709789e-01 -1.051709789e-01 5.90 -1.015513591e-01 -1.015513591e-01 5.92 -9.801671669e-02 -9.801671669e-02 5.94 -9.455659791e-02 -9.455659791e-02 5.96 -9.116124687e-02 -9.116124687e-02 5.98 -8.782162705e-02 -8.782162705e-02 6.00 -8.452945262e-02 -8.452945262e-02