# 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 = AuFe2Zr # 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 2.878901518e+02 2.878901518e+02 1.30 2.652523131e+02 2.652523131e+02 1.32 2.443735520e+02 2.443735520e+02 1.34 2.251089779e+02 2.251089779e+02 1.36 2.073288867e+02 2.073288867e+02 1.38 1.909153923e+02 1.909153923e+02 1.40 1.757599811e+02 1.757599811e+02 1.42 1.617623888e+02 1.617623888e+02 1.44 1.488302558e+02 1.488302558e+02 1.46 1.368793716e+02 1.368793716e+02 1.48 1.258339580e+02 1.258339580e+02 1.50 1.156261566e+02 1.156261566e+02 1.52 1.061943805e+02 1.061943805e+02 1.54 9.748131275e+01 9.748131275e+01 1.56 8.943232105e+01 8.943232105e+01 1.58 8.199502527e+01 8.199502527e+01 1.60 7.511973599e+01 7.511973599e+01 1.62 6.876020281e+01 6.876020281e+01 1.64 6.287413094e+01 6.287413094e+01 1.66 5.742338530e+01 5.742338530e+01 1.68 5.237392220e+01 5.237392220e+01 1.70 4.769547929e+01 4.769547929e+01 1.72 4.336113112e+01 4.336113112e+01 1.74 3.934670717e+01 3.934670717e+01 1.76 3.563014675e+01 3.563014675e+01 1.78 3.219119107e+01 3.219119107e+01 1.80 2.901145873e+01 2.901145873e+01 1.82 2.608239560e+01 2.608239560e+01 1.84 2.338880644e+01 2.338880644e+01 1.86 2.091212330e+01 2.091212330e+01 1.88 1.863499579e+01 1.863499579e+01 1.90 1.654131656e+01 1.654131656e+01 1.92 1.461623661e+01 1.461623661e+01 1.94 1.284614435e+01 1.284614435e+01 1.96 1.121850769e+01 1.121850769e+01 1.98 9.721749008e+00 9.721749008e+00 2.00 8.345176461e+00 8.345176461e+00 2.02 7.078963487e+00 7.078963487e+00 2.04 5.914148924e+00 5.914148924e+00 2.06 4.842618557e+00 4.842618557e+00 2.08 3.857059622e+00 3.857059622e+00 2.10 2.950867803e+00 2.950867803e+00 2.12 2.118078795e+00 2.118078795e+00 2.14 1.353288086e+00 1.353288086e+00 2.16 6.515947058e-01 6.515947058e-01 2.18 8.534289339e-03 8.534289339e-03 2.20 -5.799890073e-01 -5.799890073e-01 2.22 -1.117782516e+00 -1.117782516e+00 2.24 -1.608419430e+00 -1.608419430e+00 2.26 -2.055264562e+00 -2.055264562e+00 2.28 -2.461468881e+00 -2.461468881e+00 2.30 -2.829962224e+00 -2.829962224e+00 2.32 -3.163456293e+00 -3.163456293e+00 2.34 -3.464432236e+00 -3.464432236e+00 2.36 -3.735175400e+00 -3.735175400e+00 2.38 -3.977794732e+00 -3.977794732e+00 2.40 -4.194247739e+00 -4.194247739e+00 2.42 -4.386369951e+00 -4.386369951e+00 2.44 -4.555896993e+00 -4.555896993e+00 2.46 -4.704513621e+00 -4.704513621e+00 2.48 -4.833896140e+00 -4.833896140e+00 2.50 -4.945528623e+00 -4.945528623e+00 2.52 -5.040857602e+00 -5.040857602e+00 2.54 -5.121292853e+00 -5.121292853e+00 2.56 -5.188180334e+00 -5.188180334e+00 2.58 -5.242778112e+00 -5.242778112e+00 2.60 -5.286226787e+00 -5.286226787e+00 2.62 -5.319392592e+00 -5.319392592e+00 2.64 -5.342975048e+00 -5.342975048e+00 2.66 -5.357618381e+00 -5.357618381e+00 2.68 -5.363918957e+00 -5.363918957e+00 2.70 -5.362421916e+00 -5.362421916e+00 2.72 -5.353624926e+00 -5.353624926e+00 2.74 -5.337984285e+00 -5.337984285e+00 2.76 -5.315921170e+00 -5.315921170e+00 2.78 -5.287828768e+00 -5.287828768e+00 2.80 -5.254151917e+00 -5.254151917e+00 2.82 -5.215185362e+00 -5.215185362e+00 2.84 -5.171172517e+00 -5.171172517e+00 2.86 -5.122358387e+00 -5.122358387e+00 2.88 -5.068996674e+00 -5.068996674e+00 2.90 -5.011337985e+00 -5.011337985e+00 2.92 -4.949632351e+00 -4.949632351e+00 2.94 -4.884139238e+00 -4.884139238e+00 2.96 -4.815120323e+00 -4.815120323e+00 2.98 -4.742840369e+00 -4.742840369e+00 3.00 -4.667571061e+00 -4.667571061e+00 3.02 -4.589588503e+00 -4.589588503e+00 3.04 -4.509163183e+00 -4.509163183e+00 3.06 -4.426457725e+00 -4.426457725e+00 3.08 -4.341548027e+00 -4.341548027e+00 3.10 -4.254552347e+00 -4.254552347e+00 3.12 -4.165623530e+00 -4.165623530e+00 3.14 -4.074951771e+00 -4.074951771e+00 3.16 -3.982750531e+00 -3.982750531e+00 3.18 -3.889265996e+00 -3.889265996e+00 3.20 -3.794776183e+00 -3.794776183e+00 3.22 -3.699592071e+00 -3.699592071e+00 3.24 -3.604057131e+00 -3.604057131e+00 3.26 -3.508544167e+00 -3.508544167e+00 3.28 -3.413448460e+00 -3.413448460e+00 3.30 -3.319176606e+00 -3.319176606e+00 3.32 -3.226131225e+00 -3.226131225e+00 3.34 -3.134692860e+00 -3.134692860e+00 3.36 -3.045201501e+00 -3.045201501e+00 3.38 -2.957940683e+00 -2.957940683e+00 3.40 -2.873125467e+00 -2.873125467e+00 3.42 -2.790903412e+00 -2.790903412e+00 3.44 -2.711348387e+00 -2.711348387e+00 3.46 -2.634473785e+00 -2.634473785e+00 3.48 -2.560241420e+00 -2.560241420e+00 3.50 -2.488573308e+00 -2.488573308e+00 3.52 -2.419363193e+00 -2.419363193e+00 3.54 -2.352486820e+00 -2.352486820e+00 3.56 -2.287810441e+00 -2.287810441e+00 3.58 -2.225197437e+00 -2.225197437e+00 3.60 -2.164513207e+00 -2.164513207e+00 3.62 -2.105628566e+00 -2.105628566e+00 3.64 -2.048422001e+00 -2.048422001e+00 3.66 -1.992781089e+00 -1.992781089e+00 3.68 -1.938603396e+00 -1.938603396e+00 3.70 -1.885797092e+00 -1.885797092e+00 3.72 -1.834281465e+00 -1.834281465e+00 3.74 -1.783987449e+00 -1.783987449e+00 3.76 -1.734858179e+00 -1.734858179e+00 3.78 -1.686849473e+00 -1.686849473e+00 3.80 -1.639930072e+00 -1.639930072e+00 3.82 -1.594081365e+00 -1.594081365e+00 3.84 -1.549296329e+00 -1.549296329e+00 3.86 -1.505577489e+00 -1.505577489e+00 3.88 -1.462933884e+00 -1.462933884e+00 3.90 -1.421377276e+00 -1.421377276e+00 3.92 -1.380916564e+00 -1.380916564e+00 3.94 -1.341560357e+00 -1.341560357e+00 3.96 -1.303304141e+00 -1.303304141e+00 3.98 -1.266135828e+00 -1.266135828e+00 4.00 -1.230033748e+00 -1.230033748e+00 4.02 -1.194967757e+00 -1.194967757e+00 4.04 -1.160901176e+00 -1.160901176e+00 4.06 -1.127793123e+00 -1.127793123e+00 4.08 -1.095600866e+00 -1.095600866e+00 4.10 -1.064277349e+00 -1.064277349e+00 4.12 -1.033791988e+00 -1.033791988e+00 4.14 -1.004101832e+00 -1.004101832e+00 4.16 -9.751736154e-01 -9.751736154e-01 4.18 -9.469786463e-01 -9.469786463e-01 4.20 -9.194930358e-01 -9.194930358e-01 4.22 -8.926976706e-01 -8.926976706e-01 4.24 -8.665779612e-01 -8.665779612e-01 4.26 -8.411233777e-01 -8.411233777e-01 4.28 -8.163267853e-01 -8.163267853e-01 4.30 -7.921836061e-01 -7.921836061e-01 4.32 -7.686908479e-01 -7.686908479e-01 4.34 -7.458460671e-01 -7.458460671e-01 4.36 -7.236463468e-01 -7.236463468e-01 4.38 -7.020873795e-01 -7.020873795e-01 4.40 -6.811627327e-01 -6.811627327e-01 4.42 -6.608633583e-01 -6.608633583e-01 4.44 -6.411773669e-01 -6.411773669e-01 4.46 -6.220900605e-01 -6.220900605e-01 4.48 -6.035840047e-01 -6.035840047e-01 4.50 -5.856397388e-01 -5.856397388e-01 4.52 -5.682363852e-01 -5.682363852e-01 4.54 -5.513518447e-01 -5.513518447e-01 4.56 -5.349633396e-01 -5.349633396e-01 4.58 -5.190478964e-01 -5.190478964e-01 4.60 -5.035827501e-01 -5.035827501e-01 4.62 -4.885456692e-01 -4.885456692e-01 4.64 -4.739152075e-01 -4.739152075e-01 4.66 -4.596708989e-01 -4.596708989e-01 4.68 -4.457934090e-01 -4.457934090e-01 4.70 -4.322646609e-01 -4.322646609e-01 4.72 -4.190679482e-01 -4.190679482e-01 4.74 -4.061880453e-01 -4.061880453e-01 4.76 -3.936113208e-01 -3.936113208e-01 4.78 -3.813258547e-01 -3.813258547e-01 4.80 -3.693183776e-01 -3.693183776e-01 4.82 -3.575876286e-01 -3.575876286e-01 4.84 -3.461236536e-01 -3.461236536e-01 4.86 -3.349223868e-01 -3.349223868e-01 4.88 -3.239817977e-01 -3.239817977e-01 4.90 -3.133017937e-01 -3.133017937e-01 4.92 -3.028840289e-01 -3.028840289e-01 4.94 -2.927316136e-01 -2.927316136e-01 4.96 -2.828487259e-01 -2.828487259e-01 4.98 -2.732401418e-01 -2.732401418e-01 5.00 -2.639107084e-01 -2.639107084e-01 5.02 -2.548647987e-01 -2.548647987e-01 5.04 -2.461057882e-01 -2.461057882e-01 5.06 -2.376355968e-01 -2.376355968e-01 5.08 -2.294543320e-01 -2.294543320e-01 5.10 -2.215600590e-01 -2.215600590e-01 5.12 -2.139487125e-01 -2.139487125e-01 5.14 -2.066141457e-01 -2.066141457e-01 5.16 -1.995483045e-01 -1.995483045e-01 5.18 -1.927415026e-01 -1.927415026e-01 5.20 -1.861827688e-01 -1.861827688e-01 5.22 -1.798602382e-01 -1.798602382e-01 5.24 -1.737615586e-01 -1.737615586e-01 5.26 -1.678742905e-01 -1.678742905e-01 5.28 -1.621862817e-01 -1.621862817e-01 5.30 -1.566860039e-01 -1.566860039e-01 5.32 -1.513628401e-01 -1.513628401e-01 5.34 -1.462073156e-01 -1.462073156e-01 5.36 -1.412112670e-01 -1.412112670e-01 5.38 -1.363679415e-01 -1.363679415e-01 5.40 -1.316720234e-01 -1.316720234e-01 5.42 -1.271195844e-01 -1.271195844e-01 5.44 -1.227079578e-01 -1.227079578e-01 5.46 -1.184355429e-01 -1.184355429e-01 5.48 -1.143015486e-01 -1.143015486e-01 5.50 -1.103056964e-01 -1.103056964e-01 5.52 -1.064479038e-01 -1.064479038e-01 5.54 -1.027279731e-01 -1.027279731e-01 5.56 -9.914531182e-02 -9.914531182e-02 5.58 -9.569870556e-02 -9.569870556e-02 5.60 -9.238605146e-02 -9.238605146e-02 5.62 -8.920443401e-02 -8.920443401e-02 5.64 -8.615021384e-02 -8.615021384e-02 5.66 -8.321888662e-02 -8.321888662e-02 5.68 -8.040518915e-02 -8.040518915e-02 5.70 -7.770323815e-02 -7.770323815e-02 5.72 -7.510668404e-02 -7.510668404e-02 5.74 -7.260886490e-02 -7.260886490e-02 5.76 -7.020294950e-02 -7.020294950e-02 5.78 -6.788206192e-02 -6.788206192e-02 5.80 -6.563938432e-02 -6.563938432e-02 5.82 -6.346823698e-02 -6.346823698e-02 5.84 -6.136213742e-02 -6.136213742e-02 5.86 -5.931484151e-02 -5.931484151e-02 5.88 -5.732037066e-02 -5.732037066e-02 5.90 -5.537302906e-02 -5.537302906e-02 5.92 -5.346741524e-02 -5.346741524e-02 5.94 -5.159843167e-02 -5.159843167e-02 5.96 -4.976129577e-02 -4.976129577e-02 5.98 -4.795155511e-02 -4.795155511e-02 6.00 -4.616510913e-02 -4.616510913e-02