# 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 = AlCoZr2 # 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 2.316886822e+02 2.316886822e+02 1.30 2.151832677e+02 2.151832677e+02 1.32 1.998742065e+02 1.998742065e+02 1.34 1.856667199e+02 1.856667199e+02 1.36 1.724744398e+02 1.724744398e+02 1.38 1.602196435e+02 1.602196435e+02 1.40 1.488323014e+02 1.488323014e+02 1.42 1.382480031e+02 1.382480031e+02 1.44 1.284059820e+02 1.284059820e+02 1.46 1.192485195e+02 1.192485195e+02 1.48 1.107218843e+02 1.107218843e+02 1.50 1.027775660e+02 1.027775660e+02 1.52 9.537257156e+01 9.537257156e+01 1.54 8.846860151e+01 8.846860151e+01 1.56 8.203101159e+01 8.203101159e+01 1.58 7.602811214e+01 7.602811214e+01 1.60 7.043065168e+01 7.043065168e+01 1.62 6.521122468e+01 6.521122468e+01 1.64 6.034376388e+01 6.034376388e+01 1.66 5.580329659e+01 5.580329659e+01 1.68 5.156607839e+01 5.156607839e+01 1.70 4.761001983e+01 4.761001983e+01 1.72 4.391495616e+01 4.391495616e+01 1.74 4.046262830e+01 4.046262830e+01 1.76 3.723642636e+01 3.723642636e+01 1.78 3.422114359e+01 3.422114359e+01 1.80 3.140277850e+01 3.140277850e+01 1.82 2.876838746e+01 2.876838746e+01 1.84 2.630587634e+01 2.630587634e+01 1.86 2.400393397e+01 2.400393397e+01 1.88 2.185220491e+01 2.185220491e+01 1.90 1.984180716e+01 1.984180716e+01 1.92 1.796374695e+01 1.796374695e+01 1.94 1.620950028e+01 1.620950028e+01 1.96 1.457131769e+01 1.457131769e+01 1.98 1.304317412e+01 1.304317412e+01 2.00 1.161831997e+01 1.161831997e+01 2.02 1.029013900e+01 1.029013900e+01 2.04 9.052608921e+00 9.052608921e+00 2.06 7.900209661e+00 7.900209661e+00 2.08 6.827776067e+00 6.827776067e+00 2.10 5.830373127e+00 5.830373127e+00 2.12 4.903226092e+00 4.903226092e+00 2.14 4.041718512e+00 4.041718512e+00 2.16 3.241446354e+00 3.241446354e+00 2.18 2.498262957e+00 2.498262957e+00 2.20 1.808313411e+00 1.808313411e+00 2.22 1.168016340e+00 1.168016340e+00 2.24 5.740477426e-01 5.740477426e-01 2.26 2.333699770e-02 2.333699770e-02 2.28 -4.869383949e-01 -4.869383949e-01 2.30 -9.593179446e-01 -9.593179446e-01 2.32 -1.396096106e+00 -1.396096106e+00 2.34 -1.799322937e+00 -1.799322937e+00 2.36 -2.170867874e+00 -2.170867874e+00 2.38 -2.512466601e+00 -2.512466601e+00 2.40 -2.825769624e+00 -2.825769624e+00 2.42 -3.112390353e+00 -3.112390353e+00 2.44 -3.373927098e+00 -3.373927098e+00 2.46 -3.611983624e+00 -3.611983624e+00 2.48 -3.828162719e+00 -3.828162719e+00 2.50 -4.024046532e+00 -4.024046532e+00 2.52 -4.201170696e+00 -4.201170696e+00 2.54 -4.361001599e+00 -4.361001599e+00 2.56 -4.504922151e+00 -4.504922151e+00 2.58 -4.634225873e+00 -4.634225873e+00 2.60 -4.750114965e+00 -4.750114965e+00 2.62 -4.853694435e+00 -4.853694435e+00 2.64 -4.945977246e+00 -4.945977246e+00 2.66 -5.027858363e+00 -5.027858363e+00 2.68 -5.100164700e+00 -5.100164700e+00 2.70 -5.163671306e+00 -5.163671306e+00 2.72 -5.218857001e+00 -5.218857001e+00 2.74 -5.266146201e+00 -5.266146201e+00 2.76 -5.305939274e+00 -5.305939274e+00 2.78 -5.338614900e+00 -5.338614900e+00 2.80 -5.364543507e+00 -5.364543507e+00 2.82 -5.384068549e+00 -5.384068549e+00 2.84 -5.397519761e+00 -5.397519761e+00 2.86 -5.405118222e+00 -5.405118222e+00 2.88 -5.406914319e+00 -5.406914319e+00 2.90 -5.402985600e+00 -5.402985600e+00 2.92 -5.393455483e+00 -5.393455483e+00 2.94 -5.378487699e+00 -5.378487699e+00 2.96 -5.358282547e+00 -5.358282547e+00 2.98 -5.333099725e+00 -5.333099725e+00 3.00 -5.303202034e+00 -5.303202034e+00 3.02 -5.268852647e+00 -5.268852647e+00 3.04 -5.230335499e+00 -5.230335499e+00 3.06 -5.187964858e+00 -5.187964858e+00 3.08 -5.142048058e+00 -5.142048058e+00 3.10 -5.092897109e+00 -5.092897109e+00 3.12 -5.040985404e+00 -5.040985404e+00 3.14 -4.987094940e+00 -4.987094940e+00 3.16 -4.931317473e+00 -4.931317473e+00 3.18 -4.873705361e+00 -4.873705361e+00 3.20 -4.814309032e+00 -4.814309032e+00 3.22 -4.753203174e+00 -4.753203174e+00 3.24 -4.690486868e+00 -4.690486868e+00 3.26 -4.626281045e+00 -4.626281045e+00 3.28 -4.560726791e+00 -4.560726791e+00 3.30 -4.493983783e+00 -4.493983783e+00 3.32 -4.426232617e+00 -4.426232617e+00 3.34 -4.357664222e+00 -4.357664222e+00 3.36 -4.288464793e+00 -4.288464793e+00 3.38 -4.218807286e+00 -4.218807286e+00 3.40 -4.148843229e+00 -4.148843229e+00 3.42 -4.078706532e+00 -4.078706532e+00 3.44 -4.008502396e+00 -4.008502396e+00 3.46 -3.938317984e+00 -3.938317984e+00 3.48 -3.868224247e+00 -3.868224247e+00 3.50 -3.798279985e+00 -3.798279985e+00 3.52 -3.728535188e+00 -3.728535188e+00 3.54 -3.659033351e+00 -3.659033351e+00 3.56 -3.589812774e+00 -3.589812774e+00 3.58 -3.520907100e+00 -3.520907100e+00 3.60 -3.452345394e+00 -3.452345394e+00 3.62 -3.384152083e+00 -3.384152083e+00 3.64 -3.316347013e+00 -3.316347013e+00 3.66 -3.248945847e+00 -3.248945847e+00 3.68 -3.181960921e+00 -3.181960921e+00 3.70 -3.115402659e+00 -3.115402659e+00 3.72 -3.049281534e+00 -3.049281534e+00 3.74 -2.983610499e+00 -2.983610499e+00 3.76 -2.918407722e+00 -2.918407722e+00 3.78 -2.853699299e+00 -2.853699299e+00 3.80 -2.789521569e+00 -2.789521569e+00 3.82 -2.725922498e+00 -2.725922498e+00 3.84 -2.662961658e+00 -2.662961658e+00 3.86 -2.600708426e+00 -2.600708426e+00 3.88 -2.539238333e+00 -2.539238333e+00 3.90 -2.478627893e+00 -2.478627893e+00 3.92 -2.418945330e+00 -2.418945330e+00 3.94 -2.360258925e+00 -2.360258925e+00 3.96 -2.302610363e+00 -2.302610363e+00 3.98 -2.246027897e+00 -2.246027897e+00 4.00 -2.190521870e+00 -2.190521870e+00 4.02 -2.136086364e+00 -2.136086364e+00 4.04 -2.082702264e+00 -2.082702264e+00 4.06 -2.030341036e+00 -2.030341036e+00 4.08 -1.978968613e+00 -1.978968613e+00 4.10 -1.928542064e+00 -1.928542064e+00 4.12 -1.879041515e+00 -1.879041515e+00 4.14 -1.830427018e+00 -1.830427018e+00 4.16 -1.782672428e+00 -1.782672428e+00 4.18 -1.735758219e+00 -1.735758219e+00 4.20 -1.689672357e+00 -1.689672357e+00 4.22 -1.644410714e+00 -1.644410714e+00 4.24 -1.599977026e+00 -1.599977026e+00 4.26 -1.556382330e+00 -1.556382330e+00 4.28 -1.513643872e+00 -1.513643872e+00 4.30 -1.471783468e+00 -1.471783468e+00 4.32 -1.430825440e+00 -1.430825440e+00 4.34 -1.390794257e+00 -1.390794257e+00 4.36 -1.351712119e+00 -1.351712119e+00 4.38 -1.313596732e+00 -1.313596732e+00 4.40 -1.276459482e+00 -1.276459482e+00 4.42 -1.240304188e+00 -1.240304188e+00 4.44 -1.205126491e+00 -1.205126491e+00 4.46 -1.170913854e+00 -1.170913854e+00 4.48 -1.137646080e+00 -1.137646080e+00 4.50 -1.105296212e+00 -1.105296212e+00 4.52 -1.073831642e+00 -1.073831642e+00 4.54 -1.043215316e+00 -1.043215316e+00 4.56 -1.013406899e+00 -1.013406899e+00 4.58 -9.843638551e-01 -9.843638551e-01 4.60 -9.560423878e-01 -9.560423878e-01 4.62 -9.283982538e-01 -9.283982538e-01 4.64 -9.013874584e-01 -9.013874584e-01 4.66 -8.749668704e-01 -8.749668704e-01 4.68 -8.490947923e-01 -8.490947923e-01 4.70 -8.237315250e-01 -8.237315250e-01 4.72 -7.988399570e-01 -7.988399570e-01 4.74 -7.743862033e-01 -7.743862033e-01 4.76 -7.503403013e-01 -7.503403013e-01 4.78 -7.266769579e-01 -7.266769579e-01 4.80 -7.033702798e-01 -7.033702798e-01 4.82 -6.804197088e-01 -6.804197088e-01 4.84 -6.578112068e-01 -6.578112068e-01 4.86 -6.355453530e-01 -6.355453530e-01 4.88 -6.136303053e-01 -6.136303053e-01 4.90 -5.920816852e-01 -5.920816852e-01 4.92 -5.709220389e-01 -5.709220389e-01 4.94 -5.501798397e-01 -5.501798397e-01 4.96 -5.298880393e-01 -5.298880393e-01 4.98 -5.100822370e-01 -5.100822370e-01 5.00 -4.907985878e-01 -4.907985878e-01 5.02 -4.720716147e-01 -4.720716147e-01 5.04 -4.539321132e-01 -4.539321132e-01 5.06 -4.364053269e-01 -4.364053269e-01 5.08 -4.195095433e-01 -4.195095433e-01 5.10 -4.032552056e-01 -4.032552056e-01 5.12 -3.876445743e-01 -3.876445743e-01 5.14 -3.726719148e-01 -3.726719148e-01 5.16 -3.583241377e-01 -3.583241377e-01 5.18 -3.445817898e-01 -3.445817898e-01 5.20 -3.314202804e-01 -3.314202804e-01 5.22 -3.188112305e-01 -3.188112305e-01 5.24 -3.067238498e-01 -3.067238498e-01 5.26 -2.951262613e-01 -2.951262613e-01 5.28 -2.839867198e-01 -2.839867198e-01 5.30 -2.732746855e-01 -2.732746855e-01 5.32 -2.629617274e-01 -2.629617274e-01 5.34 -2.530222434e-01 -2.530222434e-01 5.36 -2.434339846e-01 -2.434339846e-01 5.38 -2.341783773e-01 -2.341783773e-01 5.40 -2.252406374e-01 -2.252406374e-01 5.42 -2.166096747e-01 -2.166096747e-01 5.44 -2.082777943e-01 -2.082777943e-01 5.46 -2.002402129e-01 -2.002402129e-01 5.48 -1.924944197e-01 -1.924944197e-01 5.50 -1.850394289e-01 -1.850394289e-01 5.52 -1.778749803e-01 -1.778749803e-01 5.54 -1.710007548e-01 -1.710007548e-01 5.56 -1.644156658e-01 -1.644156658e-01 5.58 -1.581172825e-01 -1.581172825e-01 5.60 -1.521014193e-01 -1.521014193e-01 5.62 -1.463616176e-01 -1.463616176e-01 5.64 -1.408896484e-01 -1.408896484e-01 5.66 -1.356756580e-01 -1.356756580e-01 5.68 -1.307080230e-01 -1.307080230e-01 5.70 -1.259736933e-01 -1.259736933e-01 5.72 -1.214585710e-01 -1.214585710e-01 5.74 -1.171478881e-01 -1.171478881e-01 5.76 -1.130265570e-01 -1.130265570e-01 5.78 -1.090794751e-01 -1.090794751e-01 5.80 -1.052917734e-01 -1.052917734e-01 5.82 -1.016490095e-01 -1.016490095e-01 5.84 -9.813730588e-02 -9.813730588e-02 5.86 -9.474344318e-02 -9.474344318e-02 5.88 -9.145491570e-02 -9.145491570e-02 5.90 -8.825995971e-02 -8.825995971e-02 5.92 -8.514756371e-02 -8.514756371e-02 5.94 -8.210746926e-02 -8.210746926e-02 5.96 -7.913017000e-02 -7.913017000e-02 5.98 -7.620691494e-02 -7.620691494e-02 6.00 -7.332972096e-02 -7.332972096e-02