# 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 = Ag2CuMg # 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 2.344866920e+02 2.344866920e+02 1.30 2.168010250e+02 2.168010250e+02 1.32 2.004668286e+02 2.004668286e+02 1.34 1.853737588e+02 1.853737588e+02 1.36 1.714213258e+02 1.714213258e+02 1.38 1.585183944e+02 1.585183944e+02 1.40 1.465821735e+02 1.465821735e+02 1.42 1.355370238e+02 1.355370238e+02 1.44 1.253132904e+02 1.253132904e+02 1.46 1.158463933e+02 1.158463933e+02 1.48 1.070764977e+02 1.070764977e+02 1.50 9.894872502e+01 9.894872502e+01 1.52 9.141335622e+01 9.141335622e+01 1.54 8.442549517e+01 8.442549517e+01 1.56 7.794429238e+01 7.794429238e+01 1.58 7.193295092e+01 7.193295092e+01 1.60 6.635932656e+01 6.635932656e+01 1.62 6.119133655e+01 6.119133655e+01 1.64 5.639938575e+01 5.639938575e+01 1.66 5.195610949e+01 5.195610949e+01 1.68 4.783606497e+01 4.783606497e+01 1.70 4.401555137e+01 4.401555137e+01 1.72 4.047252884e+01 4.047252884e+01 1.74 3.718655111e+01 3.718655111e+01 1.76 3.413867944e+01 3.413867944e+01 1.78 3.131141162e+01 3.131141162e+01 1.80 2.868864031e+01 2.868864031e+01 1.82 2.625561459e+01 2.625561459e+01 1.84 2.399885794e+01 2.399885794e+01 1.86 2.190603572e+01 2.190603572e+01 1.88 1.996578620e+01 1.996578620e+01 1.90 1.816755191e+01 1.816755191e+01 1.92 1.650143795e+01 1.650143795e+01 1.94 1.495811815e+01 1.495811815e+01 1.96 1.352879857e+01 1.352879857e+01 1.98 1.220523093e+01 1.220523093e+01 2.00 1.097974871e+01 1.097974871e+01 2.02 9.845293418e+00 9.845293418e+00 2.04 8.795409458e+00 8.795409458e+00 2.06 7.824199551e+00 7.824199551e+00 2.08 6.926250044e+00 6.926250044e+00 2.10 6.096548828e+00 6.096548828e+00 2.12 5.330416089e+00 5.330416089e+00 2.14 4.623457811e+00 4.623457811e+00 2.16 3.971540250e+00 3.971540250e+00 2.18 3.370776449e+00 3.370776449e+00 2.20 2.817519728e+00 2.817519728e+00 2.22 2.308358069e+00 2.308358069e+00 2.24 1.840109086e+00 1.840109086e+00 2.26 1.409812613e+00 1.409812613e+00 2.28 1.014718150e+00 1.014718150e+00 2.30 6.522705165e-01 6.522705165e-01 2.32 3.200931398e-01 3.200931398e-01 2.34 1.597987476e-02 1.597987476e-02 2.36 -2.621087496e-01 -2.621087496e-01 2.38 -5.160460734e-01 -5.160460734e-01 2.40 -7.475450071e-01 -7.475450071e-01 2.42 -9.581729926e-01 -9.581729926e-01 2.44 -1.149373525e+00 -1.149373525e+00 2.46 -1.322490623e+00 -1.322490623e+00 2.48 -1.478789894e+00 -1.478789894e+00 2.50 -1.619474023e+00 -1.619474023e+00 2.52 -1.745696879e+00 -1.745696879e+00 2.54 -1.858777742e+00 -1.858777742e+00 2.56 -1.959686626e+00 -1.959686626e+00 2.58 -2.049186468e+00 -2.049186468e+00 2.60 -2.128043193e+00 -2.128043193e+00 2.62 -2.197016750e+00 -2.197016750e+00 2.64 -2.256850788e+00 -2.256850788e+00 2.66 -2.308259657e+00 -2.308259657e+00 2.68 -2.352003471e+00 -2.352003471e+00 2.70 -2.388860299e+00 -2.388860299e+00 2.72 -2.419249479e+00 -2.419249479e+00 2.74 -2.443560415e+00 -2.443560415e+00 2.76 -2.462165618e+00 -2.462165618e+00 2.78 -2.475415581e+00 -2.475415581e+00 2.80 -2.483636112e+00 -2.483636112e+00 2.82 -2.487127007e+00 -2.487127007e+00 2.84 -2.486166066e+00 -2.486166066e+00 2.86 -2.481024233e+00 -2.481024233e+00 2.88 -2.471965064e+00 -2.471965064e+00 2.90 -2.459241846e+00 -2.459241846e+00 2.92 -2.443103247e+00 -2.443103247e+00 2.94 -2.423797999e+00 -2.423797999e+00 2.96 -2.401578489e+00 -2.401578489e+00 2.98 -2.376703310e+00 -2.376703310e+00 3.00 -2.349438667e+00 -2.349438667e+00 3.02 -2.320058247e+00 -2.320058247e+00 3.04 -2.288840901e+00 -2.288840901e+00 3.06 -2.256066893e+00 -2.256066893e+00 3.08 -2.222009830e+00 -2.222009830e+00 3.10 -2.186929700e+00 -2.186929700e+00 3.12 -2.151079466e+00 -2.151079466e+00 3.14 -2.114660365e+00 -2.114660365e+00 3.16 -2.077829841e+00 -2.077829841e+00 3.18 -2.040714599e+00 -2.040714599e+00 3.20 -2.003412322e+00 -2.003412322e+00 3.22 -1.965996065e+00 -1.965996065e+00 3.24 -1.928519962e+00 -1.928519962e+00 3.26 -1.891025181e+00 -1.891025181e+00 3.28 -1.853543437e+00 -1.853543437e+00 3.30 -1.816084385e+00 -1.816084385e+00 3.32 -1.778649570e+00 -1.778649570e+00 3.34 -1.741247850e+00 -1.741247850e+00 3.36 -1.703895328e+00 -1.703895328e+00 3.38 -1.666614580e+00 -1.666614580e+00 3.40 -1.629433552e+00 -1.629433552e+00 3.42 -1.592384549e+00 -1.592384549e+00 3.44 -1.555502763e+00 -1.555502763e+00 3.46 -1.518825232e+00 -1.518825232e+00 3.48 -1.482389568e+00 -1.482389568e+00 3.50 -1.446232744e+00 -1.446232744e+00 3.52 -1.410389979e+00 -1.410389979e+00 3.54 -1.374893747e+00 -1.374893747e+00 3.56 -1.339772991e+00 -1.339772991e+00 3.58 -1.305052566e+00 -1.305052566e+00 3.60 -1.270752957e+00 -1.270752957e+00 3.62 -1.236890267e+00 -1.236890267e+00 3.64 -1.203476488e+00 -1.203476488e+00 3.66 -1.170520043e+00 -1.170520043e+00 3.68 -1.138026600e+00 -1.138026600e+00 3.70 -1.106000101e+00 -1.106000101e+00 3.72 -1.074443984e+00 -1.074443984e+00 3.74 -1.043362473e+00 -1.043362473e+00 3.76 -1.012761845e+00 -1.012761845e+00 3.78 -9.826514772e-01 -9.826514772e-01 3.80 -9.530445236e-01 -9.530445236e-01 3.82 -9.239580352e-01 -9.239580352e-01 3.84 -8.954124293e-01 -8.954124293e-01 3.86 -8.674302934e-01 -8.674302934e-01 3.88 -8.400346397e-01 -8.400346397e-01 3.90 -8.132468411e-01 -8.132468411e-01 3.92 -7.870844611e-01 -7.870844611e-01 3.94 -7.615598608e-01 -7.615598608e-01 3.96 -7.366783460e-01 -7.366783460e-01 3.98 -7.124380354e-01 -7.124380354e-01 4.00 -6.888298495e-01 -6.888298495e-01 4.02 -6.658381804e-01 -6.658381804e-01 4.04 -6.434419635e-01 -6.434419635e-01 4.06 -6.216159730e-01 -6.216159730e-01 4.08 -6.003321934e-01 -6.003321934e-01 4.10 -5.795608775e-01 -5.795608775e-01 4.12 -5.592730195e-01 -5.592730195e-01 4.14 -5.394396042e-01 -5.394396042e-01 4.16 -5.200340252e-01 -5.200340252e-01 4.18 -5.010326986e-01 -5.010326986e-01 4.20 -4.824159500e-01 -4.824159500e-01 4.22 -4.641687978e-01 -4.641687978e-01 4.24 -4.462816014e-01 -4.462816014e-01 4.26 -4.287505279e-01 -4.287505279e-01 4.28 -4.115777787e-01 -4.115777787e-01 4.30 -3.947715259e-01 -3.947715259e-01 4.32 -3.783455140e-01 -3.783455140e-01 4.34 -3.623183141e-01 -3.623183141e-01 4.36 -3.467122441e-01 -3.467122441e-01 4.38 -3.315520047e-01 -3.315520047e-01 4.40 -3.168631096e-01 -3.168631096e-01 4.42 -3.026702115e-01 -3.026702115e-01 4.44 -2.889954392e-01 -2.889954392e-01 4.46 -2.758568636e-01 -2.758568636e-01 4.48 -2.632672041e-01 -2.632672041e-01 4.50 -2.512328657e-01 -2.512328657e-01 4.52 -2.397533752e-01 -2.397533752e-01 4.54 -2.288212408e-01 -2.288212408e-01 4.56 -2.184222264e-01 -2.184222264e-01 4.58 -2.085359893e-01 -2.085359893e-01 4.60 -1.991370005e-01 -1.991370005e-01 4.62 -1.901956532e-01 -1.901956532e-01 4.64 -1.816794570e-01 -1.816794570e-01 4.66 -1.735542326e-01 -1.735542326e-01 4.68 -1.657852365e-01 -1.657852365e-01 4.70 -1.583381708e-01 -1.583381708e-01 4.72 -1.511800565e-01 -1.511800565e-01 4.74 -1.442799662e-01 -1.442799662e-01 4.76 -1.376096247e-01 -1.376096247e-01 4.78 -1.311438927e-01 -1.311438927e-01 4.80 -1.248609537e-01 -1.248609537e-01 4.82 -1.187434227e-01 -1.187434227e-01 4.84 -1.127772699e-01 -1.127772699e-01 4.86 -1.069528359e-01 -1.069528359e-01 4.88 -1.012646104e-01 -1.012646104e-01 4.90 -9.571113193e-02 -9.571113193e-02 4.92 -9.029475268e-02 -9.029475268e-02 4.94 -8.502125632e-02 -8.502125632e-02 4.96 -7.989932290e-02 -7.989932290e-02 4.98 -7.493985017e-02 -7.493985017e-02 5.00 -7.015515603e-02 -7.015515603e-02 5.02 -6.555810505e-02 -6.555810505e-02 5.04 -6.116121417e-02 -6.116121417e-02 5.06 -5.697580082e-02 -5.697580082e-02 5.08 -5.301123865e-02 -5.301123865e-02 5.10 -4.927436685e-02 -4.927436685e-02 5.12 -4.576908786e-02 -4.576908786e-02 5.14 -4.249619585e-02 -4.249619585e-02 5.16 -3.945339941e-02 -3.945339941e-02 5.18 -3.663552414e-02 -3.663552414e-02 5.20 -3.403452900e-02 -3.403452900e-02 5.22 -3.164009756e-02 -3.164009756e-02 5.24 -2.944136076e-02 -2.944136076e-02 5.26 -2.742615222e-02 -2.742615222e-02 5.28 -2.558141069e-02 -2.558141069e-02 5.30 -2.389382758e-02 -2.389382758e-02 5.32 -2.235024515e-02 -2.235024515e-02 5.34 -2.093788243e-02 -2.093788243e-02 5.36 -1.964454936e-02 -1.964454936e-02 5.38 -1.845885832e-02 -1.845885832e-02 5.40 -1.737034343e-02 -1.737034343e-02 5.42 -1.636947313e-02 -1.636947313e-02 5.44 -1.544764975e-02 -1.544764975e-02 5.46 -1.459717429e-02 -1.459717429e-02 5.48 -1.381118657e-02 -1.381118657e-02 5.50 -1.308358926e-02 -1.308358926e-02 5.52 -1.240896386e-02 -1.240896386e-02 5.54 -1.178248512e-02 -1.178248512e-02 5.56 -1.119983916e-02 -1.119983916e-02 5.58 -1.065714908e-02 -1.065714908e-02 5.60 -1.015091044e-02 -1.015091044e-02 5.62 -9.677937458e-03 -9.677937458e-03 5.64 -9.235319859e-03 -9.235319859e-03 5.66 -8.820389067e-03 -8.820389067e-03 5.68 -8.430692304e-03 -8.430692304e-03 5.70 -8.063972682e-03 -8.063972682e-03 5.72 -7.718153578e-03 -7.718153578e-03 5.74 -7.391325797e-03 -7.391325797e-03 5.76 -7.081736375e-03 -7.081736375e-03 5.78 -6.787778247e-03 -6.787778247e-03 5.80 -6.507980304e-03 -6.507980304e-03 5.82 -6.240997659e-03 -6.240997659e-03 5.84 -5.985602104e-03 -5.985602104e-03 5.86 -5.740672867e-03 -5.740672867e-03 5.88 -5.505187849e-03 -5.505187849e-03 5.90 -5.278215523e-03 -5.278215523e-03 5.92 -5.058907709e-03 -5.058907709e-03 5.94 -4.846493361e-03 -4.846493361e-03 5.96 -4.640273511e-03 -4.640273511e-03 5.98 -4.439617462e-03 -4.439617462e-03 6.00 -4.243960263e-03 -4.243960263e-03