# 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 = CuPdPt2 # 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 9.593538735e+02 9.593538735e+02 0.98 8.764510665e+02 8.764510665e+02 1.00 8.013505316e+02 8.013505316e+02 1.02 7.332445608e+02 7.332445608e+02 1.04 6.714246302e+02 6.714246302e+02 1.06 6.152611849e+02 6.152611849e+02 1.08 5.641892920e+02 5.641892920e+02 1.10 5.177099259e+02 5.177099259e+02 1.12 4.753746779e+02 4.753746779e+02 1.14 4.367812985e+02 4.367812985e+02 1.16 4.015688696e+02 4.015688696e+02 1.18 3.694171323e+02 3.694171323e+02 1.20 3.400366378e+02 3.400366378e+02 1.22 3.131661428e+02 3.131661428e+02 1.24 2.885723509e+02 2.885723509e+02 1.26 2.660435776e+02 2.660435776e+02 1.28 2.453898970e+02 2.453898970e+02 1.30 2.264381976e+02 2.264381976e+02 1.32 2.090350907e+02 2.090350907e+02 1.34 1.930410676e+02 1.930410676e+02 1.36 1.783292903e+02 1.783292903e+02 1.38 1.647848014e+02 1.647848014e+02 1.40 1.523051084e+02 1.523051084e+02 1.42 1.407964748e+02 1.407964748e+02 1.44 1.301751127e+02 1.301751127e+02 1.46 1.203646095e+02 1.203646095e+02 1.48 1.112953917e+02 1.112953917e+02 1.50 1.029044042e+02 1.029044042e+02 1.52 9.513450721e+01 9.513450721e+01 1.54 8.793323697e+01 8.793323697e+01 1.56 8.125371608e+01 8.125371608e+01 1.58 7.505357183e+01 7.505357183e+01 1.60 6.929484630e+01 6.929484630e+01 1.62 6.394223884e+01 6.394223884e+01 1.64 5.896356196e+01 5.896356196e+01 1.66 5.432969660e+01 5.432969660e+01 1.68 5.001388536e+01 5.001388536e+01 1.70 4.599164129e+01 4.599164129e+01 1.72 4.224075623e+01 4.224075623e+01 1.74 3.874092980e+01 3.874092980e+01 1.76 3.547297199e+01 3.547297199e+01 1.78 3.241945761e+01 3.241945761e+01 1.80 2.956710895e+01 2.956710895e+01 1.82 2.690647749e+01 2.690647749e+01 1.84 2.443021348e+01 2.443021348e+01 1.86 2.212566846e+01 2.212566846e+01 1.88 1.998109757e+01 1.998109757e+01 1.90 1.796535250e+01 1.796535250e+01 1.92 1.609934900e+01 1.609934900e+01 1.94 1.435654103e+01 1.435654103e+01 1.96 1.272993668e+01 1.272993668e+01 1.98 1.121293279e+01 1.121293279e+01 2.00 9.799345611e+00 9.799345611e+00 2.02 8.483465420e+00 8.483465420e+00 2.04 7.259932235e+00 7.259932235e+00 2.06 6.123444231e+00 6.123444231e+00 2.08 5.069030040e+00 5.069030040e+00 2.10 4.092547796e+00 4.092547796e+00 2.12 3.189194429e+00 3.189194429e+00 2.14 2.355111308e+00 2.355111308e+00 2.16 1.586381773e+00 1.586381773e+00 2.18 8.793833519e-01 8.793833519e-01 2.20 2.305353147e-01 2.305353147e-01 2.22 -3.636075714e-01 -3.636075714e-01 2.24 -9.058681691e-01 -9.058681691e-01 2.26 -1.399789899e+00 -1.399789899e+00 2.28 -1.847597426e+00 -1.847597426e+00 2.30 -2.253059119e+00 -2.253059119e+00 2.32 -2.619031817e+00 -2.619031817e+00 2.34 -2.947906803e+00 -2.947906803e+00 2.36 -3.242118761e+00 -3.242118761e+00 2.38 -3.503980112e+00 -3.503980112e+00 2.40 -3.735602439e+00 -3.735602439e+00 2.42 -3.938864016e+00 -3.938864016e+00 2.44 -4.116024043e+00 -4.116024043e+00 2.46 -4.268948613e+00 -4.268948613e+00 2.48 -4.399463278e+00 -4.399463278e+00 2.50 -4.509104736e+00 -4.509104736e+00 2.52 -4.599024028e+00 -4.599024028e+00 2.54 -4.671151629e+00 -4.671151629e+00 2.56 -4.726953200e+00 -4.726953200e+00 2.58 -4.767717143e+00 -4.767717143e+00 2.60 -4.795706497e+00 -4.795706497e+00 2.62 -4.811361470e+00 -4.811361470e+00 2.64 -4.815455932e+00 -4.815455932e+00 2.66 -4.809259675e+00 -4.809259675e+00 2.68 -4.793468911e+00 -4.793468911e+00 2.70 -4.768913246e+00 -4.768913246e+00 2.72 -4.736454840e+00 -4.736454840e+00 2.74 -4.696866287e+00 -4.696866287e+00 2.76 -4.650873236e+00 -4.650873236e+00 2.78 -4.600108954e+00 -4.600108954e+00 2.80 -4.544796308e+00 -4.544796308e+00 2.82 -4.484865330e+00 -4.484865330e+00 2.84 -4.420859222e+00 -4.420859222e+00 2.86 -4.352909324e+00 -4.352909324e+00 2.88 -4.281451669e+00 -4.281451669e+00 2.90 -4.207320763e+00 -4.207320763e+00 2.92 -4.129886605e+00 -4.129886605e+00 2.94 -4.050238169e+00 -4.050238169e+00 2.96 -3.969135812e+00 -3.969135812e+00 2.98 -3.886869270e+00 -3.886869270e+00 3.00 -3.803717570e+00 -3.803717570e+00 3.02 -3.719937215e+00 -3.719937215e+00 3.04 -3.635971367e+00 -3.635971367e+00 3.06 -3.551696556e+00 -3.551696556e+00 3.08 -3.467026538e+00 -3.467026538e+00 3.10 -3.382556055e+00 -3.382556055e+00 3.12 -3.298456540e+00 -3.298456540e+00 3.14 -3.214869255e+00 -3.214869255e+00 3.16 -3.131922569e+00 -3.131922569e+00 3.18 -3.049731621e+00 -3.049731621e+00 3.20 -2.968399293e+00 -2.968399293e+00 3.22 -2.888017137e+00 -2.888017137e+00 3.24 -2.808658506e+00 -2.808658506e+00 3.26 -2.731328318e+00 -2.731328318e+00 3.28 -2.655442558e+00 -2.655442558e+00 3.30 -2.580705321e+00 -2.580705321e+00 3.32 -2.507168070e+00 -2.507168070e+00 3.34 -2.434874864e+00 -2.434874864e+00 3.36 -2.363862990e+00 -2.363862990e+00 3.38 -2.294164244e+00 -2.294164244e+00 3.40 -2.225803398e+00 -2.225803398e+00 3.42 -2.158801507e+00 -2.158801507e+00 3.44 -2.093184098e+00 -2.093184098e+00 3.46 -2.028941531e+00 -2.028941531e+00 3.48 -1.966060949e+00 -1.966060949e+00 3.50 -1.904513191e+00 -1.904513191e+00 3.52 -1.844243291e+00 -1.844243291e+00 3.54 -1.785313752e+00 -1.785313752e+00 3.56 -1.727797153e+00 -1.727797153e+00 3.58 -1.671593179e+00 -1.671593179e+00 3.60 -1.616590424e+00 -1.616590424e+00 3.62 -1.562796192e+00 -1.562796192e+00 3.64 -1.510313272e+00 -1.510313272e+00 3.66 -1.459221200e+00 -1.459221200e+00 3.68 -1.409479974e+00 -1.409479974e+00 3.70 -1.361012520e+00 -1.361012520e+00 3.72 -1.313769686e+00 -1.313769686e+00 3.74 -1.267754927e+00 -1.267754927e+00 3.76 -1.222987304e+00 -1.222987304e+00 3.78 -1.179480525e+00 -1.179480525e+00 3.80 -1.137217653e+00 -1.137217653e+00 3.82 -1.096167443e+00 -1.096167443e+00 3.84 -1.056286026e+00 -1.056286026e+00 3.86 -1.017551166e+00 -1.017551166e+00 3.88 -9.799448194e-01 -9.799448194e-01 3.90 -9.434447280e-01 -9.434447280e-01 3.92 -9.080379302e-01 -9.080379302e-01 3.94 -8.736484799e-01 -8.736484799e-01 3.96 -8.402175056e-01 -8.402175056e-01 3.98 -8.077692945e-01 -8.077692945e-01 4.00 -7.762831776e-01 -7.762831776e-01 4.02 -7.457820590e-01 -7.457820590e-01 4.04 -7.163024040e-01 -7.163024040e-01 4.06 -6.878670555e-01 -6.878670555e-01 4.08 -6.605071781e-01 -6.605071781e-01 4.10 -6.343004054e-01 -6.343004054e-01 4.12 -6.091257129e-01 -6.091257129e-01 4.14 -5.848745653e-01 -5.848745653e-01 4.16 -5.614089928e-01 -5.614089928e-01 4.18 -5.385620279e-01 -5.385620279e-01 4.20 -5.162088914e-01 -5.162088914e-01 4.22 -4.942605871e-01 -4.942605871e-01 4.24 -4.726566374e-01 -4.726566374e-01 4.26 -4.513589065e-01 -4.513589065e-01 4.28 -4.303253214e-01 -4.303253214e-01 4.30 -4.099760986e-01 -4.099760986e-01 4.32 -3.900660927e-01 -3.900660927e-01 4.34 -3.703810780e-01 -3.703810780e-01 4.36 -3.509867906e-01 -3.509867906e-01 4.38 -3.319424035e-01 -3.319424035e-01 4.40 -3.133256259e-01 -3.133256259e-01 4.42 -2.952142729e-01 -2.952142729e-01 4.44 -2.776662111e-01 -2.776662111e-01 4.46 -2.607227690e-01 -2.607227690e-01 4.48 -2.444116329e-01 -2.444116329e-01 4.50 -2.287492994e-01 -2.287492994e-01 4.52 -2.137431492e-01 -2.137431492e-01 4.54 -1.993931959e-01 -1.993931959e-01 4.56 -1.856935573e-01 -1.856935573e-01 4.58 -1.726364646e-01 -1.726364646e-01 4.60 -1.607867544e-01 -1.607867544e-01 4.62 -1.500740475e-01 -1.500740475e-01 4.64 -1.398807590e-01 -1.398807590e-01 4.66 -1.301889520e-01 -1.301889520e-01 4.68 -1.209800374e-01 -1.209800374e-01 4.70 -1.122350572e-01 -1.122350572e-01 4.72 -1.039349161e-01 -1.039349161e-01 4.74 -9.606057047e-02 -9.606057047e-02 4.76 -8.859317786e-02 -8.859317786e-02 4.78 -8.151421743e-02 -8.151421743e-02 4.80 -7.480558330e-02 -7.480558330e-02 4.82 -6.844965619e-02 -6.844965619e-02 4.84 -6.242935671e-02 -6.242935671e-02 4.86 -5.672818334e-02 -5.672818334e-02 4.88 -5.133023853e-02 -5.133023853e-02 4.90 -4.622024355e-02 -4.622024355e-02 4.92 -4.138314705e-02 -4.138314705e-02 4.94 -3.676831750e-02 -3.676831750e-02 4.96 -3.305177980e-02 -3.305177980e-02 4.98 -3.014419384e-02 -3.014419384e-02 5.00 -2.736773439e-02 -2.736773439e-02 5.02 -2.474182824e-02 -2.474182824e-02 5.04 -2.225870415e-02 -2.225870415e-02 5.06 -1.991079727e-02 -1.991079727e-02 5.08 -1.769092140e-02 -1.769092140e-02 5.10 -1.559225326e-02 -1.559225326e-02 5.12 -1.360831691e-02 -1.360831691e-02 5.14 -1.173296836e-02 -1.173296836e-02 5.16 -9.960380431e-03 -9.960380431e-03 5.18 -8.285028024e-03 -8.285028024e-03 5.20 -6.701673775e-03 -6.701673775e-03 5.22 -5.205354155e-03 -5.205354155e-03 5.24 -3.791366079e-03 -3.791366079e-03 5.26 -2.455254025e-03 -2.455254025e-03 5.28 -1.193569772e-03 -1.193569772e-03 5.30 -1.868575235e-15 -1.867551789e-15 5.32 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 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 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00