# 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 = AuCoPd2 # 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 2.887841908e+02 2.887841908e+02 1.30 2.673924249e+02 2.673924249e+02 1.32 2.475783743e+02 2.475783743e+02 1.34 2.292151656e+02 2.292151656e+02 1.36 2.121869060e+02 2.121869060e+02 1.38 1.963878776e+02 1.963878776e+02 1.40 1.817221192e+02 1.817221192e+02 1.42 1.681025829e+02 1.681025829e+02 1.44 1.554500623e+02 1.554500623e+02 1.46 1.436923020e+02 1.436923020e+02 1.48 1.327630078e+02 1.327630078e+02 1.50 1.226006178e+02 1.226006178e+02 1.52 1.131473872e+02 1.131473872e+02 1.54 1.043491885e+02 1.043491885e+02 1.56 9.615575314e+01 9.615575314e+01 1.58 8.852088497e+01 8.852088497e+01 1.60 8.140245172e+01 8.140245172e+01 1.62 7.476219655e+01 7.476219655e+01 1.64 6.856546972e+01 6.856546972e+01 1.66 6.278091149e+01 6.278091149e+01 1.68 5.738393894e+01 5.738393894e+01 1.70 5.236241917e+01 5.236241917e+01 1.72 4.772000016e+01 4.772000016e+01 1.74 4.343391836e+01 4.343391836e+01 1.76 3.947674433e+01 3.947674433e+01 1.78 3.582309359e+01 3.582309359e+01 1.80 3.244973226e+01 3.244973226e+01 1.82 2.933554146e+01 2.933554146e+01 1.84 2.646134514e+01 2.646134514e+01 1.86 2.380965347e+01 2.380965347e+01 1.88 2.136438582e+01 2.136438582e+01 1.90 1.911063490e+01 1.911063490e+01 1.92 1.703450904e+01 1.703450904e+01 1.94 1.512304471e+01 1.512304471e+01 1.96 1.336415391e+01 1.336415391e+01 1.98 1.174657592e+01 1.174657592e+01 2.00 1.025982240e+01 1.025982240e+01 2.02 8.894120502e+00 8.894120502e+00 2.04 7.640363678e+00 7.640363678e+00 2.06 6.490074853e+00 6.490074853e+00 2.08 5.435378466e+00 5.435378466e+00 2.10 4.468975558e+00 4.468975558e+00 2.12 3.584118874e+00 3.584118874e+00 2.14 2.774587326e+00 2.774587326e+00 2.16 2.034659616e+00 2.034659616e+00 2.18 1.359086646e+00 1.359086646e+00 2.20 7.430622398e-01 7.430622398e-01 2.22 1.821916143e-01 1.821916143e-01 2.24 -3.275424272e-01 -3.275424272e-01 2.26 -7.898150353e-01 -7.898150353e-01 2.28 -1.207995934e+00 -1.207995934e+00 2.30 -1.585186688e+00 -1.585186688e+00 2.32 -1.924258075e+00 -1.924258075e+00 2.34 -2.227886263e+00 -2.227886263e+00 2.36 -2.498585659e+00 -2.498585659e+00 2.38 -2.738735993e+00 -2.738735993e+00 2.40 -2.950602105e+00 -2.950602105e+00 2.42 -3.136346857e+00 -3.136346857e+00 2.44 -3.298039320e+00 -3.298039320e+00 2.46 -3.437660338e+00 -3.437660338e+00 2.48 -3.557105442e+00 -3.557105442e+00 2.50 -3.658190210e+00 -3.658190210e+00 2.52 -3.742674846e+00 -3.742674846e+00 2.54 -3.812122225e+00 -3.812122225e+00 2.56 -3.867972848e+00 -3.867972848e+00 2.58 -3.911560183e+00 -3.911560183e+00 2.60 -3.944105976e+00 -3.944105976e+00 2.62 -3.966952405e+00 -3.966952405e+00 2.64 -3.981754300e+00 -3.981754300e+00 2.66 -3.988944510e+00 -3.988944510e+00 2.68 -3.988784810e+00 -3.988784810e+00 2.70 -3.981529349e+00 -3.981529349e+00 2.72 -3.967444110e+00 -3.967444110e+00 2.74 -3.946804235e+00 -3.946804235e+00 2.76 -3.919895176e+00 -3.919895176e+00 2.78 -3.887037544e+00 -3.887037544e+00 2.80 -3.848644013e+00 -3.848644013e+00 2.82 -3.805144516e+00 -3.805144516e+00 2.84 -3.756971252e+00 -3.756971252e+00 2.86 -3.704565938e+00 -3.704565938e+00 2.88 -3.648384267e+00 -3.648384267e+00 2.90 -3.588896470e+00 -3.588896470e+00 2.92 -3.526583065e+00 -3.526583065e+00 2.94 -3.461925852e+00 -3.461925852e+00 2.96 -3.395395742e+00 -3.395395742e+00 2.98 -3.327440094e+00 -3.327440094e+00 3.00 -3.258472251e+00 -3.258472251e+00 3.02 -3.188864847e+00 -3.188864847e+00 3.04 -3.118946758e+00 -3.118946758e+00 3.06 -3.049002403e+00 -3.049002403e+00 3.08 -2.979272069e+00 -2.979272069e+00 3.10 -2.909952727e+00 -2.909952727e+00 3.12 -2.841199691e+00 -2.841199691e+00 3.14 -2.773129750e+00 -2.773129750e+00 3.16 -2.705826053e+00 -2.705826053e+00 3.18 -2.639344411e+00 -2.639344411e+00 3.20 -2.573720230e+00 -2.573720230e+00 3.22 -2.508975197e+00 -2.508975197e+00 3.24 -2.445123076e+00 -2.445123076e+00 3.26 -2.382174253e+00 -2.382174253e+00 3.28 -2.320138979e+00 -2.320138979e+00 3.30 -2.259029404e+00 -2.259029404e+00 3.32 -2.198860616e+00 -2.198860616e+00 3.34 -2.139650894e+00 -2.139650894e+00 3.36 -2.081421373e+00 -2.081421373e+00 3.38 -2.024195313e+00 -2.024195313e+00 3.40 -1.967997112e+00 -1.967997112e+00 3.42 -1.912851211e+00 -1.912851211e+00 3.44 -1.858780975e+00 -1.858780975e+00 3.46 -1.805807658e+00 -1.805807658e+00 3.48 -1.753949484e+00 -1.753949484e+00 3.50 -1.703220896e+00 -1.703220896e+00 3.52 -1.653631963e+00 -1.653631963e+00 3.54 -1.605187977e+00 -1.605187977e+00 3.56 -1.557889191e+00 -1.557889191e+00 3.58 -1.511730717e+00 -1.511730717e+00 3.60 -1.466702556e+00 -1.466702556e+00 3.62 -1.422789758e+00 -1.422789758e+00 3.64 -1.379972700e+00 -1.379972700e+00 3.66 -1.338227491e+00 -1.338227491e+00 3.68 -1.297526476e+00 -1.297526476e+00 3.70 -1.257838844e+00 -1.257838844e+00 3.72 -1.219131310e+00 -1.219131310e+00 3.74 -1.181368845e+00 -1.181368845e+00 3.76 -1.144515422e+00 -1.144515422e+00 3.78 -1.108534731e+00 -1.108534731e+00 3.80 -1.073390854e+00 -1.073390854e+00 3.82 -1.039048846e+00 -1.039048846e+00 3.84 -1.005475238e+00 -1.005475238e+00 3.86 -9.726384417e-01 -9.726384417e-01 3.88 -9.405090953e-01 -9.405090953e-01 3.90 -9.090603623e-01 -9.090603623e-01 3.92 -8.782682265e-01 -8.782682265e-01 3.94 -8.481118167e-01 -8.481118167e-01 3.96 -8.185737734e-01 -8.185737734e-01 3.98 -7.896406697e-01 -7.896406697e-01 4.00 -7.613034486e-01 -7.613034486e-01 4.02 -7.335578255e-01 -7.335578255e-01 4.04 -7.064045681e-01 -7.064045681e-01 4.06 -6.798495562e-01 -6.798495562e-01 4.08 -6.539035279e-01 -6.539035279e-01 4.10 -6.285814468e-01 -6.285814468e-01 4.12 -6.039014910e-01 -6.039014910e-01 4.14 -5.798837015e-01 -5.798837015e-01 4.16 -5.565484469e-01 -5.565484469e-01 4.18 -5.339148518e-01 -5.339148518e-01 4.20 -5.119993748e-01 -5.119993748e-01 4.22 -4.908146697e-01 -4.908146697e-01 4.24 -4.703687974e-01 -4.703687974e-01 4.26 -4.506647710e-01 -4.506647710e-01 4.28 -4.317003570e-01 -4.317003570e-01 4.30 -4.134680288e-01 -4.134680288e-01 4.32 -3.959549859e-01 -3.959549859e-01 4.34 -3.791432015e-01 -3.791432015e-01 4.36 -3.630095114e-01 -3.630095114e-01 4.38 -3.475258020e-01 -3.475258020e-01 4.40 -3.326593572e-01 -3.326593572e-01 4.42 -3.183734135e-01 -3.183734135e-01 4.44 -3.046279300e-01 -3.046279300e-01 4.46 -2.913805481e-01 -2.913805481e-01 4.48 -2.785876848e-01 -2.785876848e-01 4.50 -2.662056946e-01 -2.662056946e-01 4.52 -2.541920377e-01 -2.541920377e-01 4.54 -2.425064055e-01 -2.425064055e-01 4.56 -2.311117668e-01 -2.311117668e-01 4.58 -2.199753117e-01 -2.199753117e-01 4.60 -2.090692756e-01 -2.090692756e-01 4.62 -1.983716212e-01 -1.983716212e-01 4.64 -1.878665566e-01 -1.878665566e-01 4.66 -1.775448544e-01 -1.775448544e-01 4.68 -1.674039390e-01 -1.674039390e-01 4.70 -1.574477060e-01 -1.574477060e-01 4.72 -1.476860556e-01 -1.476860556e-01 4.74 -1.381341367e-01 -1.381341367e-01 4.76 -1.288113339e-01 -1.288113339e-01 4.78 -1.197400572e-01 -1.197400572e-01 4.80 -1.109444223e-01 -1.109444223e-01 4.82 -1.024489320e-01 -1.024489320e-01 4.84 -9.427724955e-02 -9.427724955e-02 4.86 -8.645116809e-02 -8.645116809e-02 4.88 -7.898981466e-02 -7.898981466e-02 4.90 -7.190910754e-02 -7.190910754e-02 4.92 -6.522144105e-02 -6.522144105e-02 4.94 -5.893554791e-02 -5.893554791e-02 4.96 -5.305647917e-02 -5.305647917e-02 4.98 -4.758564357e-02 -4.758564357e-02 5.00 -4.252088645e-02 -4.252088645e-02 5.02 -3.785659302e-02 -3.785659302e-02 5.04 -3.358358309e-02 -3.358358309e-02 5.06 -2.968966339e-02 -2.968966339e-02 5.08 -2.616017648e-02 -2.616017648e-02 5.10 -2.297778703e-02 -2.297778703e-02 5.12 -2.012296291e-02 -2.012296291e-02 5.14 -1.757450715e-02 -1.757450715e-02 5.16 -1.530996002e-02 -1.530996002e-02 5.18 -1.330642937e-02 -1.330642937e-02 5.20 -1.154112426e-02 -1.154112426e-02 5.22 -9.991600863e-03 -9.991600863e-03 5.24 -8.636163266e-03 -8.636163266e-03 5.26 -7.454177851e-03 -7.454177851e-03 5.28 -6.426301293e-03 -6.426301293e-03 5.30 -5.534627947e-03 -5.534627947e-03 5.32 -4.762766529e-03 -4.762766529e-03 5.34 -4.095858057e-03 -4.095858057e-03 5.36 -3.520547545e-03 -3.520547545e-03 5.38 -3.024921364e-03 -3.024921364e-03 5.40 -2.598420876e-03 -2.598420876e-03 5.42 -2.231741310e-03 -2.231741310e-03 5.44 -1.916723108e-03 -1.916723108e-03 5.46 -1.646241304e-03 -1.646241304e-03 5.48 -1.414097029e-03 -1.414097029e-03 5.50 -1.214913969e-03 -1.214913969e-03 5.52 -1.044041616e-03 -1.044041616e-03 5.54 -8.974663318e-04 -8.974663318e-04 5.56 -7.717306755e-04 -7.717306755e-04 5.58 -6.638610155e-04 -6.638610155e-04 5.60 -5.713031391e-04 -5.713031391e-04 5.62 -4.918654004e-04 -4.918654004e-04 5.64 -4.236688286e-04 -4.236688286e-04 5.66 -3.651035647e-04 -3.651035647e-04 5.68 -3.147909881e-04 -3.147909881e-04 5.70 -2.715509050e-04 -2.715509050e-04 5.72 -2.343732074e-04 -2.343732074e-04 5.74 -2.023934535e-04 -2.023934535e-04 5.76 -1.748718705e-04 -1.748718705e-04 5.78 -1.511753297e-04 -1.511753297e-04 5.80 -1.307618960e-04 -1.307618960e-04 5.82 -1.131675977e-04 -1.131675977e-04 5.84 -9.799510713e-05 -9.799510713e-05 5.86 -8.490406439e-05 -8.490406439e-05 5.88 -7.360280843e-05 -7.360280843e-05 5.90 -6.384131396e-05 -6.384131396e-05 5.92 -5.540515986e-05 -5.540515986e-05 5.94 -4.811037887e-05 -4.811037887e-05 5.96 -4.179906001e-05 -4.179906001e-05 5.98 -3.633559366e-05 -3.633559366e-05 6.00 -3.160346474e-05 -3.160346474e-05