# 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 = FeMgTi2 # 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 3.018108392e+02 3.018108392e+02 1.30 2.785661691e+02 2.785661691e+02 1.32 2.571285175e+02 2.571285175e+02 1.34 2.373442343e+02 2.373442343e+02 1.36 2.190748123e+02 2.190748123e+02 1.38 2.021963959e+02 2.021963959e+02 1.40 1.865976370e+02 1.865976370e+02 1.42 1.721774197e+02 1.721774197e+02 1.44 1.588437445e+02 1.588437445e+02 1.46 1.465133760e+02 1.465133760e+02 1.48 1.351110497e+02 1.351110497e+02 1.50 1.245679898e+02 1.245679898e+02 1.52 1.148203973e+02 1.148203973e+02 1.54 1.058084931e+02 1.058084931e+02 1.56 9.747626459e+01 9.747626459e+01 1.58 8.977159126e+01 8.977159126e+01 1.60 8.264629323e+01 8.264629323e+01 1.62 7.605595745e+01 7.605595745e+01 1.64 6.995963068e+01 6.995963068e+01 1.66 6.431941571e+01 6.431941571e+01 1.68 5.910004214e+01 5.910004214e+01 1.70 5.426861276e+01 5.426861276e+01 1.72 4.979466665e+01 4.979466665e+01 1.74 4.565075522e+01 4.565075522e+01 1.76 4.181192143e+01 4.181192143e+01 1.78 3.825539778e+01 3.825539778e+01 1.80 3.496072465e+01 3.496072465e+01 1.82 3.190926080e+01 3.190926080e+01 1.84 2.908382897e+01 2.908382897e+01 1.86 2.646851655e+01 2.646851655e+01 1.88 2.404849900e+01 2.404849900e+01 1.90 2.180987517e+01 2.180987517e+01 1.92 1.973952809e+01 1.973952809e+01 1.94 1.782504991e+01 1.782504991e+01 1.96 1.605475225e+01 1.605475225e+01 1.98 1.441773486e+01 1.441773486e+01 2.00 1.290393437e+01 1.290393437e+01 2.02 1.150410082e+01 1.150410082e+01 2.04 1.020972279e+01 1.020972279e+01 2.06 9.012957910e+00 9.012957910e+00 2.08 7.906601217e+00 7.906601217e+00 2.10 6.884078884e+00 6.884078884e+00 2.12 5.939429901e+00 5.939429901e+00 2.14 5.067251378e+00 5.067251378e+00 2.16 4.262613351e+00 4.262613351e+00 2.18 3.520961708e+00 3.520961708e+00 2.20 2.838029989e+00 2.838029989e+00 2.22 2.209767997e+00 2.209767997e+00 2.24 1.632296471e+00 1.632296471e+00 2.26 1.101891144e+00 1.101891144e+00 2.28 6.149940709e-01 6.149940709e-01 2.30 1.682471272e-01 1.682471272e-01 2.32 -2.414722448e-01 -2.414722448e-01 2.34 -6.170180019e-01 -6.170180019e-01 2.36 -9.609634994e-01 -9.609634994e-01 2.38 -1.275611362e+00 -1.275611362e+00 2.40 -1.563025925e+00 -1.563025925e+00 2.42 -1.825078841e+00 -1.825078841e+00 2.44 -2.063493851e+00 -2.063493851e+00 2.46 -2.279883676e+00 -2.279883676e+00 2.48 -2.475774087e+00 -2.475774087e+00 2.50 -2.652616596e+00 -2.652616596e+00 2.52 -2.811791976e+00 -2.811791976e+00 2.54 -2.954643902e+00 -2.954643902e+00 2.56 -3.082485913e+00 -3.082485913e+00 2.58 -3.196338983e+00 -3.196338983e+00 2.60 -3.297152087e+00 -3.297152087e+00 2.62 -3.385819577e+00 -3.385819577e+00 2.64 -3.463180436e+00 -3.463180436e+00 2.66 -3.530017919e+00 -3.530017919e+00 2.68 -3.587062484e+00 -3.587062484e+00 2.70 -3.634922592e+00 -3.634922592e+00 2.72 -3.673967001e+00 -3.673967001e+00 2.74 -3.704542651e+00 -3.704542651e+00 2.76 -3.727012834e+00 -3.727012834e+00 2.78 -3.741750255e+00 -3.741750255e+00 2.80 -3.749135221e+00 -3.749135221e+00 2.82 -3.749552452e+00 -3.749552452e+00 2.84 -3.743386963e+00 -3.743386963e+00 2.86 -3.731032379e+00 -3.731032379e+00 2.88 -3.712892960e+00 -3.712892960e+00 2.90 -3.689383892e+00 -3.689383892e+00 2.92 -3.660929468e+00 -3.660929468e+00 2.94 -3.627959316e+00 -3.627959316e+00 2.96 -3.590903669e+00 -3.590903669e+00 2.98 -3.550165381e+00 -3.550165381e+00 3.00 -3.506055982e+00 -3.506055982e+00 3.02 -3.458874132e+00 -3.458874132e+00 3.04 -3.408922699e+00 -3.408922699e+00 3.06 -3.356500652e+00 -3.356500652e+00 3.08 -3.301892384e+00 -3.301892384e+00 3.10 -3.245361212e+00 -3.245361212e+00 3.12 -3.187145463e+00 -3.187145463e+00 3.14 -3.127461237e+00 -3.127461237e+00 3.16 -3.066506667e+00 -3.066506667e+00 3.18 -3.004471456e+00 -3.004471456e+00 3.20 -2.941544834e+00 -2.941544834e+00 3.22 -2.877921990e+00 -2.877921990e+00 3.24 -2.813807508e+00 -2.813807508e+00 3.26 -2.749415453e+00 -2.749415453e+00 3.28 -2.684966239e+00 -2.684966239e+00 3.30 -2.620680897e+00 -2.620680897e+00 3.32 -2.556773657e+00 -2.556773657e+00 3.34 -2.493454138e+00 -2.493454138e+00 3.36 -2.430904018e+00 -2.430904018e+00 3.38 -2.369260791e+00 -2.369260791e+00 3.40 -2.308635449e+00 -2.308635449e+00 3.42 -2.249113023e+00 -2.249113023e+00 3.44 -2.190755305e+00 -2.190755305e+00 3.46 -2.133606393e+00 -2.133606393e+00 3.48 -2.077698882e+00 -2.077698882e+00 3.50 -2.023059902e+00 -2.023059902e+00 3.52 -1.969714371e+00 -1.969714371e+00 3.54 -1.917674429e+00 -1.917674429e+00 3.56 -1.866946091e+00 -1.866946091e+00 3.58 -1.817537189e+00 -1.817537189e+00 3.60 -1.769452327e+00 -1.769452327e+00 3.62 -1.722687747e+00 -1.722687747e+00 3.64 -1.677227585e+00 -1.677227585e+00 3.66 -1.633042361e+00 -1.633042361e+00 3.68 -1.590089853e+00 -1.590089853e+00 3.70 -1.548317851e+00 -1.548317851e+00 3.72 -1.507667956e+00 -1.507667956e+00 3.74 -1.468079554e+00 -1.468079554e+00 3.76 -1.429493328e+00 -1.429493328e+00 3.78 -1.391853929e+00 -1.391853929e+00 3.80 -1.355111727e+00 -1.355111727e+00 3.82 -1.319223686e+00 -1.319223686e+00 3.84 -1.284153531e+00 -1.284153531e+00 3.86 -1.249871377e+00 -1.249871377e+00 3.88 -1.216353004e+00 -1.216353004e+00 3.90 -1.183578924e+00 -1.183578924e+00 3.92 -1.151533215e+00 -1.151533215e+00 3.94 -1.120203187e+00 -1.120203187e+00 3.96 -1.089577506e+00 -1.089577506e+00 3.98 -1.059646206e+00 -1.059646206e+00 4.00 -1.030399964e+00 -1.030399964e+00 4.02 -1.001829741e+00 -1.001829741e+00 4.04 -9.739265442e-01 -9.739265442e-01 4.06 -9.466813043e-01 -9.466813043e-01 4.08 -9.200848051e-01 -9.200848051e-01 4.10 -8.941272134e-01 -8.941272134e-01 4.12 -8.687999407e-01 -8.687999407e-01 4.14 -8.440926896e-01 -8.440926896e-01 4.16 -8.199955424e-01 -8.199955424e-01 4.18 -7.964984095e-01 -7.964984095e-01 4.20 -7.735910355e-01 -7.735910355e-01 4.22 -7.512630061e-01 -7.512630061e-01 4.24 -7.295037587e-01 -7.295037587e-01 4.26 -7.083025969e-01 -7.083025969e-01 4.28 -6.876487072e-01 -6.876487072e-01 4.30 -6.675311792e-01 -6.675311792e-01 4.32 -6.479390277e-01 -6.479390277e-01 4.34 -6.288612133e-01 -6.288612133e-01 4.36 -6.102866619e-01 -6.102866619e-01 4.38 -5.922042798e-01 -5.922042798e-01 4.40 -5.746029628e-01 -5.746029628e-01 4.42 -5.574715994e-01 -5.574715994e-01 4.44 -5.407990657e-01 -5.407990657e-01 4.46 -5.245742144e-01 -5.245742144e-01 4.48 -5.087858580e-01 -5.087858580e-01 4.50 -4.934227477e-01 -4.934227477e-01 4.52 -4.784735513e-01 -4.784735513e-01 4.54 -4.639268307e-01 -4.639268307e-01 4.56 -4.497710235e-01 -4.497710235e-01 4.58 -4.359944291e-01 -4.359944291e-01 4.60 -4.225852033e-01 -4.225852033e-01 4.62 -4.095313626e-01 -4.095313626e-01 4.64 -3.968207999e-01 -3.968207999e-01 4.66 -3.844413152e-01 -3.844413152e-01 4.68 -3.723806624e-01 -3.723806624e-01 4.70 -3.606266146e-01 -3.606266146e-01 4.72 -3.491670512e-01 -3.491670512e-01 4.74 -3.379900687e-01 -3.379900687e-01 4.76 -3.270841183e-01 -3.270841183e-01 4.78 -3.164381711e-01 -3.164381711e-01 4.80 -3.060416528e-01 -3.060416528e-01 4.82 -2.958857483e-01 -2.958857483e-01 4.84 -2.859619413e-01 -2.859619413e-01 4.86 -2.762634555e-01 -2.762634555e-01 4.88 -2.667851829e-01 -2.667851829e-01 4.90 -2.575238936e-01 -2.575238936e-01 4.92 -2.484783848e-01 -2.484783848e-01 4.94 -2.396495338e-01 -2.396495338e-01 4.96 -2.310402253e-01 -2.310402253e-01 4.98 -2.226551275e-01 -2.226551275e-01 5.00 -2.145003079e-01 -2.145003079e-01 5.02 -2.065827000e-01 -2.065827000e-01 5.04 -1.989094532e-01 -1.989094532e-01 5.06 -1.914872231e-01 -1.914872231e-01 5.08 -1.843214703e-01 -1.843214703e-01 5.10 -1.774158405e-01 -1.774158405e-01 5.12 -1.707716906e-01 -1.707716906e-01 5.14 -1.643878014e-01 -1.643878014e-01 5.16 -1.582602951e-01 -1.582602951e-01 5.18 -1.523827437e-01 -1.523827437e-01 5.20 -1.467464355e-01 -1.467464355e-01 5.22 -1.413407538e-01 -1.413407538e-01 5.24 -1.361536136e-01 -1.361536136e-01 5.26 -1.311719115e-01 -1.311719115e-01 5.28 -1.263819484e-01 -1.263819484e-01 5.30 -1.217698019e-01 -1.217698019e-01 5.32 -1.173216325e-01 -1.173216325e-01 5.34 -1.130239218e-01 -1.130239218e-01 5.36 -1.088636439e-01 -1.088636439e-01 5.38 -1.048283807e-01 -1.048283807e-01 5.40 -1.009063852e-01 -1.009063852e-01 5.42 -9.708656095e-02 -9.708656095e-02 5.44 -9.335860171e-02 -9.335860171e-02 5.46 -8.971294695e-02 -8.971294695e-02 5.48 -8.614075669e-02 -8.614075669e-02 5.50 -8.263392549e-02 -8.263392549e-02 5.52 -7.918511400e-02 -7.918511400e-02 5.54 -7.578780474e-02 -7.578780474e-02 5.56 -7.243638549e-02 -7.243638549e-02 5.58 -6.912626039e-02 -6.912626039e-02 5.60 -6.585398477e-02 -6.585398477e-02 5.62 -6.261741495e-02 -6.261741495e-02 5.64 -5.941585998e-02 -5.941585998e-02 5.66 -5.625021811e-02 -5.625021811e-02 5.68 -5.312307767e-02 -5.312307767e-02 5.70 -5.003876124e-02 -5.003876124e-02 5.72 -4.700329296e-02 -4.700329296e-02 5.74 -4.402427306e-02 -4.402427306e-02 5.76 -4.111065084e-02 -4.111065084e-02 5.78 -3.827240047e-02 -3.827240047e-02 5.80 -3.552009729e-02 -3.552009729e-02 5.82 -3.286443814e-02 -3.286443814e-02 5.84 -3.031573275e-02 -3.031573275e-02 5.86 -2.788339962e-02 -2.788339962e-02 5.88 -2.557551045e-02 -2.557551045e-02 5.90 -2.339841894e-02 -2.339841894e-02 5.92 -2.135622775e-02 -2.135622775e-02 5.94 -1.945049782e-02 -1.945049782e-02 5.96 -1.768186106e-02 -1.768186106e-02 5.98 -1.604886968e-02 -1.604886968e-02 6.00 -1.454811677e-02 -1.454811677e-02