# 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 = AgAu2Cu # 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 2.666179732e+02 2.666179732e+02 1.30 2.467765705e+02 2.467765705e+02 1.32 2.284159931e+02 2.284159931e+02 1.34 2.114201546e+02 2.114201546e+02 1.36 1.956810406e+02 1.956810406e+02 1.38 1.810979416e+02 1.810979416e+02 1.40 1.675778009e+02 1.675778009e+02 1.42 1.550355483e+02 1.550355483e+02 1.44 1.433940934e+02 1.433940934e+02 1.46 1.325839686e+02 1.325839686e+02 1.48 1.225425892e+02 1.225425892e+02 1.50 1.132131963e+02 1.132131963e+02 1.52 1.045436515e+02 1.045436515e+02 1.54 9.648535534e+01 9.648535534e+01 1.56 8.899258804e+01 8.899258804e+01 1.58 8.202236549e+01 8.202236549e+01 1.60 7.553465658e+01 7.553465658e+01 1.62 6.949266299e+01 6.949266299e+01 1.64 6.386289080e+01 6.386289080e+01 1.66 5.861498846e+01 5.861498846e+01 1.68 5.373813780e+01 5.373813780e+01 1.70 4.921896726e+01 4.921896726e+01 1.72 4.503251697e+01 4.503251697e+01 1.74 4.115590798e+01 4.115590798e+01 1.76 3.756738184e+01 3.756738184e+01 1.78 3.424680900e+01 3.424680900e+01 1.80 3.117530111e+01 3.117530111e+01 1.82 2.833494694e+01 2.833494694e+01 1.84 2.570876063e+01 2.570876063e+01 1.86 2.328079324e+01 2.328079324e+01 1.88 2.103626664e+01 2.103626664e+01 1.90 1.896161972e+01 1.896161972e+01 1.92 1.704444272e+01 1.704444272e+01 1.94 1.527333667e+01 1.527333667e+01 1.96 1.363775770e+01 1.363775770e+01 1.98 1.212789648e+01 1.212789648e+01 2.00 1.073461388e+01 1.073461388e+01 2.02 9.449417924e+00 9.449417924e+00 2.04 8.264448968e+00 8.264448968e+00 2.06 7.172448054e+00 7.172448054e+00 2.08 6.166705932e+00 6.166705932e+00 2.10 5.241005492e+00 5.241005492e+00 2.12 4.389570555e+00 4.389570555e+00 2.14 3.607025753e+00 3.607025753e+00 2.16 2.888365906e+00 2.888365906e+00 2.18 2.228932238e+00 2.228932238e+00 2.20 1.624394523e+00 1.624394523e+00 2.22 1.070738838e+00 1.070738838e+00 2.24 5.642587869e-01 5.642587869e-01 2.26 1.015454565e-01 1.015454565e-01 2.28 -3.205292420e-01 -3.205292420e-01 2.30 -7.048384098e-01 -7.048384098e-01 2.32 -1.054032822e+00 -1.054032822e+00 2.34 -1.370573958e+00 -1.370573958e+00 2.36 -1.656760710e+00 -1.656760710e+00 2.38 -1.914746653e+00 -1.914746653e+00 2.40 -2.146549699e+00 -2.146549699e+00 2.42 -2.354058771e+00 -2.354058771e+00 2.44 -2.539041652e+00 -2.539041652e+00 2.46 -2.703155727e+00 -2.703155727e+00 2.48 -2.847960890e+00 -2.847960890e+00 2.50 -2.974932806e+00 -2.974932806e+00 2.52 -3.085474922e+00 -3.085474922e+00 2.54 -3.180928372e+00 -3.180928372e+00 2.56 -3.262579278e+00 -3.262579278e+00 2.58 -3.331662438e+00 -3.331662438e+00 2.60 -3.389409498e+00 -3.389409498e+00 2.62 -3.437063983e+00 -3.437063983e+00 2.64 -3.475505841e+00 -3.475505841e+00 2.66 -3.505559616e+00 -3.505559616e+00 2.68 -3.528212275e+00 -3.528212275e+00 2.70 -3.543990038e+00 -3.543990038e+00 2.72 -3.553249379e+00 -3.553249379e+00 2.74 -3.556341290e+00 -3.556341290e+00 2.76 -3.553604534e+00 -3.553604534e+00 2.78 -3.545352338e+00 -3.545352338e+00 2.80 -3.531883742e+00 -3.531883742e+00 2.82 -3.513489744e+00 -3.513489744e+00 2.84 -3.490475793e+00 -3.490475793e+00 2.86 -3.463234350e+00 -3.463234350e+00 2.88 -3.432012400e+00 -3.432012400e+00 2.90 -3.396996146e+00 -3.396996146e+00 2.92 -3.358391609e+00 -3.358391609e+00 2.94 -3.316426249e+00 -3.316426249e+00 2.96 -3.271350723e+00 -3.271350723e+00 2.98 -3.223440291e+00 -3.223440291e+00 3.00 -3.172995112e+00 -3.172995112e+00 3.02 -3.120341114e+00 -3.120341114e+00 3.04 -3.065828353e+00 -3.065828353e+00 3.06 -3.009814753e+00 -3.009814753e+00 3.08 -2.952652779e+00 -2.952652779e+00 3.10 -2.894675539e+00 -2.894675539e+00 3.12 -2.836183478e+00 -2.836183478e+00 3.14 -2.777434193e+00 -2.777434193e+00 3.16 -2.718637066e+00 -2.718637066e+00 3.18 -2.659953193e+00 -2.659953193e+00 3.20 -2.601499806e+00 -2.601499806e+00 3.22 -2.543357659e+00 -2.543357659e+00 3.24 -2.485579697e+00 -2.485579697e+00 3.26 -2.428199627e+00 -2.428199627e+00 3.28 -2.371239523e+00 -2.371239523e+00 3.30 -2.314716010e+00 -2.314716010e+00 3.32 -2.258644954e+00 -2.258644954e+00 3.34 -2.203044714e+00 -2.203044714e+00 3.36 -2.147938101e+00 -2.147938101e+00 3.38 -2.093353242e+00 -2.093353242e+00 3.40 -2.039323509e+00 -2.039323509e+00 3.42 -1.985886734e+00 -1.985886734e+00 3.44 -1.933083899e+00 -1.933083899e+00 3.46 -1.880957534e+00 -1.880957534e+00 3.48 -1.829549989e+00 -1.829549989e+00 3.50 -1.778901789e+00 -1.778901789e+00 3.52 -1.729050166e+00 -1.729050166e+00 3.54 -1.680027891e+00 -1.680027891e+00 3.56 -1.631862431e+00 -1.631862431e+00 3.58 -1.584575463e+00 -1.584575463e+00 3.60 -1.538182730e+00 -1.538182730e+00 3.62 -1.492694229e+00 -1.492694229e+00 3.64 -1.448114686e+00 -1.448114686e+00 3.66 -1.404444307e+00 -1.404444307e+00 3.68 -1.361679750e+00 -1.361679750e+00 3.70 -1.319815266e+00 -1.319815266e+00 3.72 -1.278843941e+00 -1.278843941e+00 3.74 -1.238758929e+00 -1.238758929e+00 3.76 -1.199554563e+00 -1.199554563e+00 3.78 -1.161227183e+00 -1.161227183e+00 3.80 -1.123775555e+00 -1.123775555e+00 3.82 -1.087200771e+00 -1.087200771e+00 3.84 -1.051505592e+00 -1.051505592e+00 3.86 -1.016693293e+00 -1.016693293e+00 3.88 -9.827661645e-01 -9.827661645e-01 3.90 -9.497238935e-01 -9.497238935e-01 3.92 -9.175620847e-01 -9.175620847e-01 3.94 -8.862711457e-01 -8.862711457e-01 3.96 -8.558356709e-01 -8.558356709e-01 3.98 -8.262343903e-01 -8.262343903e-01 4.00 -7.974406200e-01 -7.974406200e-01 4.02 -7.694231121e-01 -7.694231121e-01 4.04 -7.421471684e-01 -7.421471684e-01 4.06 -7.155758935e-01 -7.155758935e-01 4.08 -6.896714920e-01 -6.896714920e-01 4.10 -6.643965496e-01 -6.643965496e-01 4.12 -6.397152845e-01 -6.397152845e-01 4.14 -6.155947187e-01 -6.155947187e-01 4.16 -5.920058152e-01 -5.920058152e-01 4.18 -5.689245216e-01 -5.689245216e-01 4.20 -5.463326989e-01 -5.463326989e-01 4.22 -5.242188774e-01 -5.242188774e-01 4.24 -5.025787636e-01 -5.025787636e-01 4.26 -4.814154206e-01 -4.814154206e-01 4.28 -4.607390495e-01 -4.607390495e-01 4.30 -4.405663309e-01 -4.405663309e-01 4.32 -4.209193247e-01 -4.209193247e-01 4.34 -4.018239762e-01 -4.018239762e-01 4.36 -3.833083250e-01 -3.833083250e-01 4.38 -3.654005475e-01 -3.654005475e-01 4.40 -3.481269776e-01 -3.481269776e-01 4.42 -3.315102491e-01 -3.315102491e-01 4.44 -3.155676794e-01 -3.155676794e-01 4.46 -3.003099874e-01 -3.003099874e-01 4.48 -2.857404051e-01 -2.857404051e-01 4.50 -2.718542143e-01 -2.718542143e-01 4.52 -2.586387114e-01 -2.586387114e-01 4.54 -2.460735766e-01 -2.460735766e-01 4.56 -2.341315987e-01 -2.341315987e-01 4.58 -2.227796881e-01 -2.227796881e-01 4.60 -2.119800903e-01 -2.119800903e-01 4.62 -2.016917118e-01 -2.016917118e-01 4.64 -1.918714711e-01 -1.918714711e-01 4.66 -1.824756040e-01 -1.824756040e-01 4.68 -1.734608708e-01 -1.734608708e-01 4.70 -1.647856355e-01 -1.647856355e-01 4.72 -1.564108052e-01 -1.564108052e-01 4.74 -1.483006342e-01 -1.483006342e-01 4.76 -1.404234024e-01 -1.404234024e-01 4.78 -1.327519815e-01 -1.327519815e-01 4.80 -1.252642949e-01 -1.252642949e-01 4.82 -1.179436794e-01 -1.179436794e-01 4.84 -1.107791153e-01 -1.107791153e-01 4.86 -1.037653354e-01 -1.037653354e-01 4.88 -9.690276036e-02 -9.690276036e-02 4.90 -9.019724049e-02 -9.019724049e-02 4.92 -8.365957707e-02 -8.365957707e-02 4.94 -7.730481086e-02 -7.730481086e-02 4.96 -7.115128351e-02 -7.115128351e-02 4.98 -6.521950494e-02 -6.521950494e-02 5.00 -5.953088427e-02 -5.953088427e-02 5.02 -5.410640339e-02 -5.410640339e-02 5.04 -4.896532762e-02 -4.896532762e-02 5.06 -4.412404998e-02 -4.412404998e-02 5.08 -3.959511332e-02 -3.959511332e-02 5.10 -3.538636639e-02 -3.538636639e-02 5.12 -3.150123905e-02 -3.150123905e-02 5.14 -2.793836785e-02 -2.793836785e-02 5.16 -2.469176872e-02 -2.469176872e-02 5.18 -2.175133319e-02 -2.175133319e-02 5.20 -1.910345733e-02 -1.910345733e-02 5.22 -1.673147227e-02 -1.673147227e-02 5.24 -1.461728840e-02 -1.461728840e-02 5.26 -1.274167472e-02 -1.274167472e-02 5.28 -1.108474508e-02 -1.108474508e-02 5.30 -9.626568643e-03 -9.626568643e-03 5.32 -8.347660824e-03 -8.347660824e-03 5.34 -7.229356375e-03 -7.229356375e-03 5.36 -6.254073892e-03 -6.254073892e-03 5.38 -5.405485694e-03 -5.405485694e-03 5.40 -4.668609042e-03 -4.668609042e-03 5.42 -4.029834835e-03 -4.029834835e-03 5.44 -3.476908862e-03 -3.476908862e-03 5.46 -2.998878844e-03 -2.998878844e-03 5.48 -2.586018424e-03 -2.586018424e-03 5.50 -2.229737072e-03 -2.229737072e-03 5.52 -1.922482914e-03 -1.922482914e-03 5.54 -1.657643689e-03 -1.657643689e-03 5.56 -1.429449595e-03 -1.429449595e-03 5.58 -1.232880574e-03 -1.232880574e-03 5.60 -1.063579629e-03 -1.063579629e-03 5.62 -9.177731009e-04 -9.177731009e-04 5.64 -7.921982486e-04 -7.921982486e-04 5.66 -6.840381610e-04 -6.840381610e-04 5.68 -5.908637331e-04 -5.908637331e-04 5.70 -5.105823052e-04 -5.105823052e-04 5.72 -4.413924576e-04 -4.413924576e-04 5.74 -3.817444139e-04 -3.817444139e-04 5.76 -3.303054950e-04 -3.303054950e-04 5.78 -2.859300797e-04 -2.859300797e-04 5.80 -2.476335580e-04 -2.476335580e-04 5.82 -2.145697975e-04 -2.145697975e-04 5.84 -1.860116873e-04 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