# 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 = Au2FeMo # 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 3.174630243e+02 3.174630243e+02 1.30 2.933729941e+02 2.933729941e+02 1.32 2.711035007e+02 2.711035007e+02 1.34 2.505059118e+02 2.505059118e+02 1.36 2.314479448e+02 2.314479448e+02 1.38 2.138111558e+02 2.138111558e+02 1.40 1.974881349e+02 1.974881349e+02 1.42 1.823796620e+02 1.823796620e+02 1.44 1.683927985e+02 1.683927985e+02 1.46 1.554401855e+02 1.554401855e+02 1.48 1.434400943e+02 1.434400943e+02 1.50 1.323168187e+02 1.323168187e+02 1.52 1.220010149e+02 1.220010149e+02 1.54 1.124295521e+02 1.124295521e+02 1.56 1.035448114e+02 1.035448114e+02 1.58 9.529379570e+01 9.529379570e+01 1.60 8.762741477e+01 8.762741477e+01 1.62 8.050005166e+01 8.050005166e+01 1.64 7.386936127e+01 7.386936127e+01 1.66 6.769626729e+01 6.769626729e+01 1.68 6.194514466e+01 6.194514466e+01 1.70 5.658409054e+01 5.658409054e+01 1.72 5.158508274e+01 5.158508274e+01 1.74 4.692384373e+01 4.692384373e+01 1.76 4.258515749e+01 4.258515749e+01 1.78 3.857713490e+01 3.857713490e+01 1.80 3.488337657e+01 3.488337657e+01 1.82 3.148379407e+01 3.148379407e+01 1.84 2.835870545e+01 2.835870545e+01 1.86 2.548877483e+01 2.548877483e+01 1.88 2.285517148e+01 2.285517148e+01 1.90 2.043980447e+01 2.043980447e+01 1.92 1.822550879e+01 1.822550879e+01 1.94 1.619611979e+01 1.619611979e+01 1.96 1.433644841e+01 1.433644841e+01 1.98 1.263222779e+01 1.263222779e+01 2.00 1.107010244e+01 1.107010244e+01 2.02 9.637677054e+00 9.637677054e+00 2.04 8.323581466e+00 8.323581466e+00 2.06 7.117494656e+00 7.117494656e+00 2.08 6.010104887e+00 6.010104887e+00 2.10 4.993024434e+00 4.993024434e+00 2.12 4.058693166e+00 4.058693166e+00 2.14 3.200294512e+00 3.200294512e+00 2.16 2.411688525e+00 2.411688525e+00 2.18 1.687354761e+00 1.687354761e+00 2.20 1.022336295e+00 1.022336295e+00 2.22 4.121810486e-01 4.121810486e-01 2.24 -1.471184307e-01 -1.471184307e-01 2.26 -6.591833580e-01 -6.591833580e-01 2.28 -1.127302049e+00 -1.127302049e+00 2.30 -1.554476140e+00 -1.554476140e+00 2.32 -1.943458959e+00 -1.943458959e+00 2.34 -2.296786463e+00 -2.296786463e+00 2.36 -2.616802068e+00 -2.616802068e+00 2.38 -2.905677068e+00 -2.905677068e+00 2.40 -3.165428399e+00 -3.165428399e+00 2.42 -3.397935340e+00 -3.397935340e+00 2.44 -3.604956371e+00 -3.604956371e+00 2.46 -3.788051359e+00 -3.788051359e+00 2.48 -3.948762815e+00 -3.948762815e+00 2.50 -4.088760199e+00 -4.088760199e+00 2.52 -4.209636260e+00 -4.209636260e+00 2.54 -4.312922951e+00 -4.312922951e+00 2.56 -4.400101150e+00 -4.400101150e+00 2.58 -4.472600583e+00 -4.472600583e+00 2.60 -4.531776460e+00 -4.531776460e+00 2.62 -4.578709135e+00 -4.578709135e+00 2.64 -4.614272498e+00 -4.614272498e+00 2.66 -4.639287540e+00 -4.639287540e+00 2.68 -4.654507552e+00 -4.654507552e+00 2.70 -4.660610598e+00 -4.660610598e+00 2.72 -4.658230918e+00 -4.658230918e+00 2.74 -4.648060543e+00 -4.648060543e+00 2.76 -4.630483513e+00 -4.630483513e+00 2.78 -4.605844683e+00 -4.605844683e+00 2.80 -4.574508080e+00 -4.574508080e+00 2.82 -4.536868974e+00 -4.536868974e+00 2.84 -4.493352338e+00 -4.493352338e+00 2.86 -4.444407554e+00 -4.444407554e+00 2.88 -4.390499349e+00 -4.390499349e+00 2.90 -4.332025596e+00 -4.332025596e+00 2.92 -4.269164283e+00 -4.269164283e+00 2.94 -4.202083977e+00 -4.202083977e+00 2.96 -4.130998663e+00 -4.130998663e+00 2.98 -4.056163735e+00 -4.056163735e+00 3.00 -3.977871643e+00 -3.977871643e+00 3.02 -3.896445547e+00 -3.896445547e+00 3.04 -3.812229897e+00 -3.812229897e+00 3.06 -3.725577934e+00 -3.725577934e+00 3.08 -3.636837244e+00 -3.636837244e+00 3.10 -3.546335504e+00 -3.546335504e+00 3.12 -3.454368914e+00 -3.454368914e+00 3.14 -3.361195448e+00 -3.361195448e+00 3.16 -3.267034014e+00 -3.267034014e+00 3.18 -3.172069353e+00 -3.172069353e+00 3.20 -3.076461342e+00 -3.076461342e+00 3.22 -2.980356763e+00 -2.980356763e+00 3.24 -2.883901558e+00 -2.883901558e+00 3.26 -2.787251880e+00 -2.787251880e+00 3.28 -2.690582844e+00 -2.690582844e+00 3.30 -2.594094400e+00 -2.594094400e+00 3.32 -2.498014160e+00 -2.498014160e+00 3.34 -2.402597334e+00 -2.402597334e+00 3.36 -2.308124018e+00 -2.308124018e+00 3.38 -2.214894150e+00 -2.214894150e+00 3.40 -2.123220458e+00 -2.123220458e+00 3.42 -2.033419730e+00 -2.033419730e+00 3.44 -1.945802862e+00 -1.945802862e+00 3.46 -1.860664243e+00 -1.860664243e+00 3.48 -1.778271222e+00 -1.778271222e+00 3.50 -1.698854487e+00 -1.698854487e+00 3.52 -1.622600173e+00 -1.622600173e+00 3.54 -1.549644408e+00 -1.549644408e+00 3.56 -1.480070707e+00 -1.480070707e+00 3.58 -1.413910319e+00 -1.413910319e+00 3.60 -1.351145294e+00 -1.351145294e+00 3.62 -1.291713758e+00 -1.291713758e+00 3.64 -1.235516724e+00 -1.235516724e+00 3.66 -1.182425722e+00 -1.182425722e+00 3.68 -1.132290573e+00 -1.132290573e+00 3.70 -1.084946768e+00 -1.084946768e+00 3.72 -1.040222043e+00 -1.040222043e+00 3.74 -9.979419482e-01 -9.979419482e-01 3.76 -9.579342927e-01 -9.579342927e-01 3.78 -9.200325080e-01 -9.200325080e-01 3.80 -8.840780113e-01 -8.840780113e-01 3.82 -8.499217123e-01 -8.499217123e-01 3.84 -8.174248168e-01 -8.174248168e-01 3.86 -7.864590831e-01 -7.864590831e-01 3.88 -7.569066726e-01 -7.569066726e-01 3.90 -7.286597189e-01 -7.286597189e-01 3.92 -7.016197184e-01 -7.016197184e-01 3.94 -6.756968291e-01 -6.756968291e-01 3.96 -6.508091326e-01 -6.508091326e-01 3.98 -6.268819234e-01 -6.268819234e-01 4.00 -6.038470510e-01 -6.038470510e-01 4.02 -5.816423472e-01 -5.816423472e-01 4.04 -5.602111561e-01 -5.602111561e-01 4.06 -5.395019793e-01 -5.395019793e-01 4.08 -5.194682418e-01 -5.194682418e-01 4.10 -5.000681737e-01 -5.000681737e-01 4.12 -4.812648116e-01 -4.812648116e-01 4.14 -4.630260649e-01 -4.630260649e-01 4.16 -4.453248575e-01 -4.453248575e-01 4.18 -4.281392653e-01 -4.281392653e-01 4.20 -4.114526023e-01 -4.114526023e-01 4.22 -3.952533849e-01 -3.952533849e-01 4.24 -3.795351050e-01 -3.795351050e-01 4.26 -3.642957524e-01 -3.642957524e-01 4.28 -3.495370525e-01 -3.495370525e-01 4.30 -3.352634187e-01 -3.352634187e-01 4.32 -3.214806701e-01 -3.214806701e-01 4.34 -3.081946059e-01 -3.081946059e-01 4.36 -2.954095655e-01 -2.954095655e-01 4.38 -2.831271187e-01 -2.831271187e-01 4.40 -2.713450151e-01 -2.713450151e-01 4.42 -2.600564939e-01 -2.600564939e-01 4.44 -2.492499987e-01 -2.492499987e-01 4.46 -2.389092830e-01 -2.389092830e-01 4.48 -2.290135773e-01 -2.290135773e-01 4.50 -2.195386492e-01 -2.195386492e-01 4.52 -2.104580535e-01 -2.104580535e-01 4.54 -2.017432991e-01 -2.017432991e-01 4.56 -1.933647385e-01 -1.933647385e-01 4.58 -1.852923668e-01 -1.852923668e-01 4.60 -1.774964968e-01 -1.774964968e-01 4.62 -1.699483080e-01 -1.699483080e-01 4.64 -1.626202850e-01 -1.626202850e-01 4.66 -1.554865691e-01 -1.554865691e-01 4.68 -1.485232517e-01 -1.485232517e-01 4.70 -1.417086344e-01 -1.417086344e-01 4.72 -1.350234792e-01 -1.350234792e-01 4.74 -1.284512645e-01 -1.284512645e-01 4.76 -1.219784534e-01 -1.219784534e-01 4.78 -1.155947720e-01 -1.155947720e-01 4.80 -1.092934864e-01 -1.092934864e-01 4.82 -1.030716593e-01 -1.030716593e-01 4.84 -9.693034384e-02 -9.693034384e-02 4.86 -9.087469472e-02 -9.087469472e-02 4.88 -8.491394216e-02 -8.491394216e-02 4.90 -7.906119650e-02 -7.906119650e-02 4.92 -7.333305306e-02 -7.333305306e-02 4.94 -6.774898341e-02 -6.774898341e-02 4.96 -6.233052076e-02 -6.233052076e-02 4.98 -5.710027173e-02 -5.710027173e-02 5.00 -5.208081196e-02 -5.208081196e-02 5.02 -4.729354160e-02 -4.729354160e-02 5.04 -4.275759311e-02 -4.275759311e-02 5.06 -3.848887563e-02 -3.848887563e-02 5.08 -3.449932768e-02 -3.449932768e-02 5.10 -3.079643902e-02 -3.079643902e-02 5.12 -2.738305087e-02 -2.738305087e-02 5.14 -2.425744457e-02 -2.425744457e-02 5.16 -2.141367722e-02 -2.141367722e-02 5.18 -1.884210072e-02 -1.884210072e-02 5.20 -1.652996460e-02 -1.652996460e-02 5.22 -1.446167316e-02 -1.446167316e-02 5.24 -1.262075824e-02 -1.262075824e-02 5.26 -1.098987457e-02 -1.098987457e-02 5.28 -9.551141332e-03 -9.551141332e-03 5.30 -8.286700282e-03 -8.286700282e-03 5.32 -7.179156059e-03 -7.179156059e-03 5.34 -6.211904028e-03 -6.211904028e-03 5.36 -5.369357061e-03 -5.369357061e-03 5.38 -4.637086070e-03 -4.637086070e-03 5.40 -4.001890195e-03 -4.001890195e-03 5.42 -3.451812092e-03 -3.451812092e-03 5.44 -2.976112333e-03 -2.976112333e-03 5.46 -2.565214938e-03 -2.565214938e-03 5.48 -2.210633993e-03 -2.210633993e-03 5.50 -1.904889209e-03 -1.904889209e-03 5.52 -1.641416456e-03 -1.641416456e-03 5.54 -1.414477695e-03 -1.414477695e-03 5.56 -1.219073437e-03 -1.219073437e-03 5.58 -1.050859778e-03 -1.050859778e-03 5.60 -9.060712986e-04 -9.060712986e-04 5.62 -7.814504730e-04 -7.814504730e-04 5.64 -6.741838148e-04 -6.741838148e-04 5.66 -5.818446715e-04 -5.818446715e-04 5.68 -5.023423845e-04 -5.023423845e-04 5.70 -4.338773993e-04 -4.338773993e-04 5.72 -3.749018453e-04 -3.749018453e-04 5.74 -3.240850740e-04 -3.240850740e-04 5.76 -2.802836465e-04 -2.802836465e-04 5.78 -2.425152768e-04 -2.425152768e-04 5.80 -2.099362710e-04 -2.099362710e-04 5.82 -1.818220333e-04 -1.818220333e-04 5.84 -1.575502550e-04 -1.575502550e-04 5.86 -1.365864377e-04 -1.365864377e-04 5.88 -1.184714411e-04 -1.184714411e-04 5.90 -1.028107848e-04 -1.028107848e-04 5.92 -8.926546257e-05 -8.926546257e-05 5.94 -7.754406064e-05 -7.754406064e-05 5.96 -6.739599816e-05 -6.739599816e-05 5.98 -5.860573188e-05 -5.860573188e-05 6.00 -5.098778857e-05 -5.098778857e-05