# 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 = AuCuMo2 # 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 2.662217992e+02 2.662217992e+02 1.30 2.462840096e+02 2.462840096e+02 1.32 2.278489109e+02 2.278489109e+02 1.34 2.107896257e+02 2.107896257e+02 1.36 1.949906356e+02 1.949906356e+02 1.38 1.803480695e+02 1.803480695e+02 1.40 1.667690571e+02 1.667690571e+02 1.42 1.541700435e+02 1.541700435e+02 1.44 1.424749074e+02 1.424749074e+02 1.46 1.316136782e+02 1.316136782e+02 1.48 1.215220959e+02 1.215220959e+02 1.50 1.121417077e+02 1.121417077e+02 1.52 1.034199209e+02 1.034199209e+02 1.54 9.530956301e+01 9.530956301e+01 1.56 8.776793582e+01 8.776793582e+01 1.58 8.075574691e+01 8.075574691e+01 1.60 7.423631134e+01 7.423631134e+01 1.62 6.817511306e+01 6.817511306e+01 1.64 6.253958360e+01 6.253958360e+01 1.66 5.729900123e+01 5.729900123e+01 1.68 5.242453142e+01 5.242453142e+01 1.70 4.788939672e+01 4.788939672e+01 1.72 4.366904307e+01 4.366904307e+01 1.74 3.974114775e+01 3.974114775e+01 1.76 3.608815970e+01 3.608815970e+01 1.78 3.270419121e+01 3.270419121e+01 1.80 2.957831145e+01 2.957831145e+01 1.82 2.669231693e+01 2.669231693e+01 1.84 2.402919258e+01 2.402919258e+01 1.86 2.157305562e+01 2.157305562e+01 1.88 1.930910508e+01 1.930910508e+01 1.90 1.722353271e+01 1.722353271e+01 1.92 1.530341581e+01 1.530341581e+01 1.94 1.353662995e+01 1.353662995e+01 1.96 1.191180181e+01 1.191180181e+01 1.98 1.041828945e+01 1.041828945e+01 2.00 9.046158062e+00 9.046158062e+00 2.02 7.786126442e+00 7.786126442e+00 2.04 6.629484158e+00 6.629484158e+00 2.06 5.568000987e+00 5.568000987e+00 2.08 4.593859857e+00 4.593859857e+00 2.10 3.699639069e+00 3.699639069e+00 2.12 2.878351221e+00 2.878351221e+00 2.14 2.123522680e+00 2.123522680e+00 2.16 1.429280238e+00 1.429280238e+00 2.18 7.904090054e-01 7.904090054e-01 2.20 2.023576621e-01 2.023576621e-01 2.22 -3.388133292e-01 -3.388133292e-01 2.24 -8.365271942e-01 -8.365271942e-01 2.26 -1.293806626e+00 -1.293806626e+00 2.28 -1.713385087e+00 -1.713385087e+00 2.30 -2.097793932e+00 -2.097793932e+00 2.32 -2.449414601e+00 -2.449414601e+00 2.34 -2.770495762e+00 -2.770495762e+00 2.36 -3.063145522e+00 -3.063145522e+00 2.38 -3.329314947e+00 -3.329314947e+00 2.40 -3.570787967e+00 -3.570787967e+00 2.42 -3.789185050e+00 -3.789185050e+00 2.44 -3.985978924e+00 -3.985978924e+00 2.46 -4.162515491e+00 -4.162515491e+00 2.48 -4.320003438e+00 -4.320003438e+00 2.50 -4.459330666e+00 -4.459330666e+00 2.52 -4.581742266e+00 -4.581742266e+00 2.54 -4.688485442e+00 -4.688485442e+00 2.56 -4.780692518e+00 -4.780692518e+00 2.58 -4.859395801e+00 -4.859395801e+00 2.60 -4.925540111e+00 -4.925540111e+00 2.62 -4.979992885e+00 -4.979992885e+00 2.64 -5.023530803e+00 -5.023530803e+00 2.66 -5.056540789e+00 -5.056540789e+00 2.68 -5.079168916e+00 -5.079168916e+00 2.70 -5.091610719e+00 -5.091610719e+00 2.72 -5.094109708e+00 -5.094109708e+00 2.74 -5.086947378e+00 -5.086947378e+00 2.76 -5.070433454e+00 -5.070433454e+00 2.78 -5.044897997e+00 -5.044897997e+00 2.80 -5.010687640e+00 -5.010687640e+00 2.82 -4.968319344e+00 -4.968319344e+00 2.84 -4.918292659e+00 -4.918292659e+00 2.86 -4.860772998e+00 -4.860772998e+00 2.88 -4.796026624e+00 -4.796026624e+00 2.90 -4.724431929e+00 -4.724431929e+00 2.92 -4.646478813e+00 -4.646478813e+00 2.94 -4.562762102e+00 -4.562762102e+00 2.96 -4.473966964e+00 -4.473966964e+00 2.98 -4.380846234e+00 -4.380846234e+00 3.00 -4.284200442e+00 -4.284200442e+00 3.02 -4.184835941e+00 -4.184835941e+00 3.04 -4.083516536e+00 -4.083516536e+00 3.06 -3.980927842e+00 -3.980927842e+00 3.08 -3.877648421e+00 -3.877648421e+00 3.10 -3.774130446e+00 -3.774130446e+00 3.12 -3.670691434e+00 -3.670691434e+00 3.14 -3.567517059e+00 -3.567517059e+00 3.16 -3.464673661e+00 -3.464673661e+00 3.18 -3.362128215e+00 -3.362128215e+00 3.20 -3.259773184e+00 -3.259773184e+00 3.22 -3.157453844e+00 -3.157453844e+00 3.24 -3.054996141e+00 -3.054996141e+00 3.26 -2.952233647e+00 -2.952233647e+00 3.28 -2.849032546e+00 -2.849032546e+00 3.30 -2.745313812e+00 -2.745313812e+00 3.32 -2.641071704e+00 -2.641071704e+00 3.34 -2.536387626e+00 -2.536387626e+00 3.36 -2.431438325e+00 -2.431438325e+00 3.38 -2.326497492e+00 -2.326497492e+00 3.40 -2.221930101e+00 -2.221930101e+00 3.42 -2.118179397e+00 -2.118179397e+00 3.44 -2.015747145e+00 -2.015747145e+00 3.46 -1.915168583e+00 -1.915168583e+00 3.48 -1.816984229e+00 -1.816984229e+00 3.50 -1.721711167e+00 -1.721711167e+00 3.52 -1.629816549e+00 -1.629816549e+00 3.54 -1.541695716e+00 -1.541695716e+00 3.56 -1.457656683e+00 -1.457656683e+00 3.58 -1.377911849e+00 -1.377911849e+00 3.60 -1.302576879e+00 -1.302576879e+00 3.62 -1.231675896e+00 -1.231675896e+00 3.64 -1.165151623e+00 -1.165151623e+00 3.66 -1.102878813e+00 -1.102878813e+00 3.68 -1.044679350e+00 -1.044679350e+00 3.70 -9.903375752e-01 -9.903375752e-01 3.72 -9.396147069e-01 -9.396147069e-01 3.74 -8.922615460e-01 -8.922615460e-01 3.76 -8.480289668e-01 -8.480289668e-01 3.78 -8.066759507e-01 -8.066759507e-01 3.80 -7.679751309e-01 -7.679751309e-01 3.82 -7.317159869e-01 -7.317159869e-01 3.84 -6.977059717e-01 -6.977059717e-01 3.86 -6.657699793e-01 -6.657699793e-01 3.88 -6.357486421e-01 -6.357486421e-01 3.90 -6.074959891e-01 -6.074959891e-01 3.92 -5.808769580e-01 -5.808769580e-01 3.94 -5.557651652e-01 -5.557651652e-01 3.96 -5.320411808e-01 -5.320411808e-01 3.98 -5.095914183e-01 -5.095914183e-01 4.00 -4.883075933e-01 -4.883075933e-01 4.02 -4.680866332e-01 -4.680866332e-01 4.04 -4.488308749e-01 -4.488308749e-01 4.06 -4.304484026e-01 -4.304484026e-01 4.08 -4.128534112e-01 -4.128534112e-01 4.10 -3.959665286e-01 -3.959665286e-01 4.12 -3.797150805e-01 -3.797150805e-01 4.14 -3.640331537e-01 -3.640331537e-01 4.16 -3.488618712e-01 -3.488618712e-01 4.18 -3.341499160e-01 -3.341499160e-01 4.20 -3.198531555e-01 -3.198531555e-01 4.22 -3.059348120e-01 -3.059348120e-01 4.24 -2.923656030e-01 -2.923656030e-01 4.26 -2.791238088e-01 -2.791238088e-01 4.28 -2.661952380e-01 -2.661952380e-01 4.30 -2.535730500e-01 -2.535730500e-01 4.32 -2.412573961e-01 -2.412573961e-01 4.34 -2.292548413e-01 -2.292548413e-01 4.36 -2.175775434e-01 -2.175775434e-01 4.38 -2.062421799e-01 -2.062421799e-01 4.40 -1.952686311e-01 -1.952686311e-01 4.42 -1.846784599e-01 -1.846784599e-01 4.44 -1.744932543e-01 -1.744932543e-01 4.46 -1.647329298e-01 -1.647329298e-01 4.48 -1.554140414e-01 -1.554140414e-01 4.50 -1.465484172e-01 -1.465484172e-01 4.52 -1.381423858e-01 -1.381423858e-01 4.54 -1.301958270e-01 -1.301958270e-01 4.56 -1.227020072e-01 -1.227020072e-01 4.58 -1.156478789e-01 -1.156478789e-01 4.60 -1.090147642e-01 -1.090147642e-01 4.62 -1.027793243e-01 -1.027793243e-01 4.64 -9.691470456e-02 -9.691470456e-02 4.66 -9.139174264e-02 -9.139174264e-02 4.68 -8.618014857e-02 -8.618014857e-02 4.70 -8.124958805e-02 -8.124958805e-02 4.72 -7.657062809e-02 -7.657062809e-02 4.74 -7.211552716e-02 -7.211552716e-02 4.76 -6.785886935e-02 -6.785886935e-02 4.78 -6.377805234e-02 -6.377805234e-02 4.80 -5.985364240e-02 -5.985364240e-02 4.82 -5.606961225e-02 -5.606961225e-02 4.84 -5.241346231e-02 -5.241346231e-02 4.86 -4.887623812e-02 -4.887623812e-02 4.88 -4.545243965e-02 -4.545243965e-02 4.90 -4.213981589e-02 -4.213981589e-02 4.92 -3.893904133e-02 -3.893904133e-02 4.94 -3.585328165e-02 -3.585328165e-02 4.96 -3.288765785e-02 -3.288765785e-02 4.98 -3.004862562e-02 -3.004862562e-02 5.00 -2.734330473e-02 -2.734330473e-02 5.02 -2.477881073e-02 -2.477881073e-02 5.04 -2.236161722e-02 -2.236161722e-02 5.06 -2.009699924e-02 -2.009699924e-02 5.08 -1.798859530e-02 -1.798859530e-02 5.10 -1.603795936e-02 -1.603795936e-02 5.12 -1.424449819e-02 -1.424449819e-02 5.14 -1.260600801e-02 -1.260600801e-02 5.16 -1.111829279e-02 -1.111829279e-02 5.18 -9.775397538e-03 -9.775397538e-03 5.20 -8.569929915e-03 -8.569929915e-03 5.22 -7.493413489e-03 -7.493413489e-03 5.24 -6.536642333e-03 -6.536642333e-03 5.26 -5.690013307e-03 -5.690013307e-03 5.28 -4.943819519e-03 -4.943819519e-03 5.30 -4.288495600e-03 -4.288495600e-03 5.32 -3.714811435e-03 -3.714811435e-03 5.34 -3.214015646e-03 -3.214015646e-03 5.36 -2.777933282e-03 -2.777933282e-03 5.38 -2.399024020e-03 -2.399024020e-03 5.40 -2.070407903e-03 -2.070407903e-03 5.42 -1.785865648e-03 -1.785865648e-03 5.44 -1.539819986e-03 -1.539819986e-03 5.46 -1.327303661e-03 -1.327303661e-03 5.48 -1.143918794e-03 -1.143918794e-03 5.50 -9.857913498e-04 -9.857913498e-04 5.52 -8.495235707e-04 -8.495235707e-04 5.54 -7.321465186e-04 -7.321465186e-04 5.56 -6.310741966e-04 -6.310741966e-04 5.58 -5.440602438e-04 -5.440602438e-04 5.60 -4.691577941e-04 -4.691577941e-04 5.62 -4.046827970e-04 -4.046827970e-04 5.64 -3.491808858e-04 -3.491808858e-04 5.66 -3.013977280e-04 -3.013977280e-04 5.68 -2.602526960e-04 -2.602526960e-04 5.70 -2.248156342e-04 -2.248156342e-04 5.72 -1.942864658e-04 -1.942864658e-04 5.74 -1.679773727e-04 -1.679773727e-04 5.76 -1.452972795e-04 -1.452972795e-04 5.78 -1.257383860e-04 -1.257383860e-04 5.80 -1.088645083e-04 -1.088645083e-04 5.82 -9.430100647e-05 -9.430100647e-05 5.84 -8.172609843e-05 -8.172609843e-05 5.86 -7.086338098e-05 -7.086338098e-05 5.88 -6.147539692e-05 -6.147539692e-05 5.90 -5.335810798e-05 -5.335810798e-05 5.92 -4.633614939e-05 -4.633614939e-05 5.94 -4.025875805e-05 -4.025875805e-05 5.96 -3.499628014e-05 -3.499628014e-05 5.98 -3.043717692e-05 -3.043717692e-05 6.00 -2.648545790e-05 -2.648545790e-05