# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1989--Adams-J-B-Foiles-S-M-Wolfer-W-G--Ag-Au-Cu-Ni-Pd-Pt # implementation = 1989--Adams-J-B--Ag-Au-Cu-Ni-Pd-Pt--LAMMPS--ipr1 # composition = AuCuPt2 # 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 2022-05-24 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 9.045861649e+02 9.045861649e+02 1.00 8.271585781e+02 8.271585781e+02 1.02 7.570040221e+02 7.570040221e+02 1.04 6.933775699e+02 6.933775699e+02 1.06 6.356198886e+02 6.356198886e+02 1.08 5.831382595e+02 5.831382595e+02 1.10 5.354082055e+02 5.354082055e+02 1.12 4.919600012e+02 4.919600012e+02 1.14 4.523734892e+02 4.523734892e+02 1.16 4.162694919e+02 4.162694919e+02 1.18 3.833128472e+02 3.833128472e+02 1.20 3.532027917e+02 3.532027917e+02 1.22 3.256676340e+02 3.256676340e+02 1.24 3.004638749e+02 3.004638749e+02 1.26 2.773719603e+02 2.773719603e+02 1.28 2.561955661e+02 2.561955661e+02 1.30 2.367568608e+02 2.367568608e+02 1.32 2.188967864e+02 2.188967864e+02 1.34 2.024713585e+02 2.024713585e+02 1.36 1.873505952e+02 1.873505952e+02 1.38 1.734171950e+02 1.734171950e+02 1.40 1.605671227e+02 1.605671227e+02 1.42 1.487046472e+02 1.487046472e+02 1.44 1.377444885e+02 1.377444885e+02 1.46 1.276088498e+02 1.276088498e+02 1.48 1.182270229e+02 1.182270229e+02 1.50 1.095352918e+02 1.095352918e+02 1.52 1.014759286e+02 1.014759286e+02 1.54 9.399640211e+01 9.399640211e+01 1.56 8.704951794e+01 8.704951794e+01 1.58 8.059210734e+01 8.059210734e+01 1.60 7.458559051e+01 7.458559051e+01 1.62 6.899414076e+01 6.899414076e+01 1.64 6.378575053e+01 6.378575053e+01 1.66 5.893104256e+01 5.893104256e+01 1.68 5.440302309e+01 5.440302309e+01 1.70 5.017698445e+01 5.017698445e+01 1.72 4.623049456e+01 4.623049456e+01 1.74 4.254301403e+01 4.254301403e+01 1.76 3.909512501e+01 3.909512501e+01 1.78 3.586937932e+01 3.586937932e+01 1.80 3.285075788e+01 3.285075788e+01 1.82 3.002485828e+01 3.002485828e+01 1.84 2.737999275e+01 2.737999275e+01 1.86 2.490952104e+01 2.490952104e+01 1.88 2.260610841e+01 2.260610841e+01 1.90 2.046002412e+01 2.046002412e+01 1.92 1.844122187e+01 1.844122187e+01 1.94 1.656642647e+01 1.656642647e+01 1.96 1.481297960e+01 1.481297960e+01 1.98 1.317420358e+01 1.317420358e+01 2.00 1.164377089e+01 1.164377089e+01 2.02 1.021585027e+01 1.021585027e+01 2.04 8.884980512e+00 8.884980512e+00 2.06 7.645927946e+00 7.645927946e+00 2.08 6.493693710e+00 6.493693710e+00 2.10 5.423719085e+00 5.423719085e+00 2.12 4.431371967e+00 4.431371967e+00 2.14 3.512508675e+00 3.512508675e+00 2.16 2.662896684e+00 2.662896684e+00 2.18 1.878831449e+00 1.878831449e+00 2.20 1.156691678e+00 1.156691678e+00 2.22 4.928359190e-01 4.928359190e-01 2.24 -1.161041846e-01 -1.161041846e-01 2.26 -6.733481009e-01 -6.733481009e-01 2.28 -1.181552168e+00 -1.181552168e+00 2.30 -1.643419971e+00 -1.643419971e+00 2.32 -2.062612281e+00 -2.062612281e+00 2.34 -2.441801905e+00 -2.441801905e+00 2.36 -2.783544269e+00 -2.783544269e+00 2.38 -3.090268978e+00 -3.090268978e+00 2.40 -3.364285226e+00 -3.364285226e+00 2.42 -3.607689334e+00 -3.607689334e+00 2.44 -3.822646575e+00 -3.822646575e+00 2.46 -4.011128739e+00 -4.011128739e+00 2.48 -4.175040994e+00 -4.175040994e+00 2.50 -4.316252468e+00 -4.316252468e+00 2.52 -4.436098915e+00 -4.436098915e+00 2.54 -4.536221908e+00 -4.536221908e+00 2.56 -4.617864051e+00 -4.617864051e+00 2.58 -4.682704334e+00 -4.682704334e+00 2.60 -4.733111015e+00 -4.733111015e+00 2.62 -4.769655181e+00 -4.769655181e+00 2.64 -4.793212099e+00 -4.793212099e+00 2.66 -4.805059612e+00 -4.805059612e+00 2.68 -4.806156859e+00 -4.806156859e+00 2.70 -4.797239116e+00 -4.797239116e+00 2.72 -4.779259051e+00 -4.779259051e+00 2.74 -4.753048851e+00 -4.753048851e+00 2.76 -4.719381742e+00 -4.719381742e+00 2.78 -4.679429335e+00 -4.679429335e+00 2.80 -4.633711544e+00 -4.633711544e+00 2.82 -4.582553770e+00 -4.582553770e+00 2.84 -4.526540860e+00 -4.526540860e+00 2.86 -4.466220316e+00 -4.466220316e+00 2.88 -4.401813005e+00 -4.401813005e+00 2.90 -4.333592002e+00 -4.333592002e+00 2.92 -4.262846000e+00 -4.262846000e+00 2.94 -4.189609638e+00 -4.189609638e+00 2.96 -4.113366104e+00 -4.113366104e+00 2.98 -4.034764944e+00 -4.034764944e+00 3.00 -3.954820506e+00 -3.954820506e+00 3.02 -3.873782942e+00 -3.873782942e+00 3.04 -3.792091249e+00 -3.792091249e+00 3.06 -3.710035865e+00 -3.710035865e+00 3.08 -3.627607644e+00 -3.627607644e+00 3.10 -3.544735389e+00 -3.544735389e+00 3.12 -3.461820488e+00 -3.461820488e+00 3.14 -3.379084741e+00 -3.379084741e+00 3.16 -3.296678887e+00 -3.296678887e+00 3.18 -3.214739929e+00 -3.214739929e+00 3.20 -3.133391319e+00 -3.133391319e+00 3.22 -3.052744075e+00 -3.052744075e+00 3.24 -2.972885027e+00 -2.972885027e+00 3.26 -2.894562436e+00 -2.894562436e+00 3.28 -2.817389235e+00 -2.817389235e+00 3.30 -2.741207351e+00 -2.741207351e+00 3.32 -2.666080209e+00 -2.666080209e+00 3.34 -2.592064410e+00 -2.592064410e+00 3.36 -2.519209374e+00 -2.519209374e+00 3.38 -2.447557501e+00 -2.447557501e+00 3.40 -2.377156873e+00 -2.377156873e+00 3.42 -2.308185896e+00 -2.308185896e+00 3.44 -2.240506200e+00 -2.240506200e+00 3.46 -2.174138405e+00 -2.174138405e+00 3.48 -2.109068007e+00 -2.109068007e+00 3.50 -2.045284499e+00 -2.045284499e+00 3.52 -1.982742840e+00 -1.982742840e+00 3.54 -1.921451697e+00 -1.921451697e+00 3.56 -1.861497246e+00 -1.861497246e+00 3.58 -1.802931989e+00 -1.802931989e+00 3.60 -1.745717595e+00 -1.745717595e+00 3.62 -1.689725321e+00 -1.689725321e+00 3.64 -1.634871281e+00 -1.634871281e+00 3.66 -1.581209719e+00 -1.581209719e+00 3.68 -1.528847467e+00 -1.528847467e+00 3.70 -1.477853306e+00 -1.477853306e+00 3.72 -1.428201144e+00 -1.428201144e+00 3.74 -1.379844422e+00 -1.379844422e+00 3.76 -1.332740701e+00 -1.332740701e+00 3.78 -1.286858202e+00 -1.286858202e+00 3.80 -1.242176151e+00 -1.242176151e+00 3.82 -1.198685598e+00 -1.198685598e+00 3.84 -1.156383148e+00 -1.156383148e+00 3.86 -1.115251350e+00 -1.115251350e+00 3.88 -1.075252306e+00 -1.075252306e+00 3.90 -1.036363913e+00 -1.036363913e+00 3.92 -9.985789286e-01 -9.985789286e-01 3.94 -9.618932079e-01 -9.618932079e-01 3.96 -9.262737477e-01 -9.262737477e-01 3.98 -8.915804212e-01 -8.915804212e-01 4.00 -8.577827213e-01 -8.577827213e-01 4.02 -8.249415973e-01 -8.249415973e-01 4.04 -7.931344963e-01 -7.931344963e-01 4.06 -7.624163475e-01 -7.624163475e-01 4.08 -7.328231590e-01 -7.328231590e-01 4.10 -7.043860509e-01 -7.043860509e-01 4.12 -6.772347900e-01 -6.772347900e-01 4.14 -6.512759152e-01 -6.512759152e-01 4.16 -6.262668434e-01 -6.262668434e-01 4.18 -6.019513132e-01 -6.019513132e-01 4.20 -5.781352098e-01 -5.781352098e-01 4.22 -5.546804832e-01 -5.546804832e-01 4.24 -5.314937887e-01 -5.314937887e-01 4.26 -5.085168047e-01 -5.085168047e-01 4.28 -4.856927079e-01 -4.856927079e-01 4.30 -4.635968069e-01 -4.635968069e-01 4.32 -4.419505615e-01 -4.419505615e-01 4.34 -4.204907380e-01 -4.204907380e-01 4.36 -3.991933684e-01 -3.991933684e-01 4.38 -3.781659775e-01 -3.781659775e-01 4.40 -3.575134244e-01 -3.575134244e-01 4.42 -3.373483586e-01 -3.373483586e-01 4.44 -3.177571269e-01 -3.177571269e-01 4.46 -2.988032121e-01 -2.988032121e-01 4.48 -2.805312363e-01 -2.805312363e-01 4.50 -2.629703395e-01 -2.629703395e-01 4.52 -2.461370349e-01 -2.461370349e-01 4.54 -2.300376123e-01 -2.300376123e-01 4.56 -2.146699651e-01 -2.146699651e-01 4.58 -2.000094937e-01 -2.000094937e-01 4.60 -1.865036465e-01 -1.865036465e-01 4.62 -1.740874808e-01 -1.740874808e-01 4.64 -1.622752568e-01 -1.622752568e-01 4.66 -1.510624730e-01 -1.510624730e-01 4.68 -1.404274367e-01 -1.404274367e-01 4.70 -1.303475772e-01 -1.303475772e-01 4.72 -1.207998850e-01 -1.207998850e-01 4.74 -1.117612136e-01 -1.117612136e-01 4.76 -1.032085233e-01 -1.032085233e-01 4.78 -9.511907090e-02 -9.511907090e-02 4.80 -8.746744399e-02 -8.746744399e-02 4.82 -8.032727852e-02 -8.032727852e-02 4.84 -7.361507884e-02 -7.361507884e-02 4.86 -6.727176054e-02 -6.727176054e-02 4.88 -6.127829841e-02 -6.127829841e-02 4.90 -5.561642157e-02 -5.561642157e-02 4.92 -5.026824554e-02 -5.026824554e-02 4.94 -4.517184303e-02 -4.517184303e-02 4.96 -4.101097769e-02 -4.101097769e-02 4.98 -3.771978183e-02 -3.771978183e-02 5.00 -3.457373838e-02 -3.457373838e-02 5.02 -3.160685268e-02 -3.160685268e-02 5.04 -2.880948565e-02 -2.880948565e-02 5.06 -2.617217360e-02 -2.617217360e-02 5.08 -2.368595009e-02 -2.368595009e-02 5.10 -2.134232469e-02 -2.134232469e-02 5.12 -1.913326193e-02 -1.913326193e-02 5.14 -1.705116022e-02 -1.705116022e-02 5.16 -1.508883099e-02 -1.508883099e-02 5.18 -1.323947863e-02 -1.323947863e-02 5.20 -1.149668096e-02 -1.149668096e-02 5.22 -9.854370448e-03 -9.854370448e-03 5.24 -8.306815663e-03 -8.306815663e-03 5.26 -6.848581914e-03 -6.848581914e-03 5.28 -5.475988585e-03 -5.475988585e-03 5.30 -4.215270052e-03 -4.215270052e-03 5.32 -3.720191047e-03 -3.720191047e-03 5.34 -3.276883580e-03 -3.276883580e-03 5.36 -2.865244639e-03 -2.865244639e-03 5.38 -2.478199821e-03 -2.478199821e-03 5.40 -2.114327461e-03 -2.114327461e-03 5.42 -1.772285106e-03 -1.772285106e-03 5.44 -1.450805256e-03 -1.450805256e-03 5.46 -1.148691345e-03 -1.148691345e-03 5.48 -8.648139446e-04 -8.648139446e-04 5.50 -5.981071620e-04 -5.981071620e-04 5.52 -3.475651749e-04 -3.475651749e-04 5.54 -1.107283195e-04 -1.107283195e-04 5.56 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 5.70 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