element(s): ['Co', 'Cr'] AFLOW prototype label: AB_cP2_221_a_b Parameter names: ['a'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['3.1963'] model name: EAM_Dynamo_FarkasCaro_2020_FeNiCrCoAl__MO_820335782779_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Co', 'Cr'] representative atom coordinates = [[0. 0. 0. ] [0.5 0.5 0.5]] spacegroup = 221 cell = [[3.1963, 0, 0], [0, 3.1963, 0], [0, 0, 3.1963]] ========================================= Step Time Energy fmax BFGS: 0 14:48:22 -7.262716 3.4489 BFGS: 1 14:48:22 -7.736973 2.9114 BFGS: 2 14:48:22 -8.114660 2.0826 BFGS: 3 14:48:22 -8.349046 1.0154 BFGS: 4 14:48:22 -8.423229 0.0698 BFGS: 5 14:48:22 -8.423654 0.0110 BFGS: 6 14:48:22 -8.423665 0.0002 BFGS: 7 14:48:22 -8.423665 0.0000 BFGS: 8 14:48:22 -8.423665 0.0000 Minimization converged after 8 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 4.601423350488521e-13 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Co', 'Cr'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[2.8750333042999703, -4.305326293297997e-33, -1.3926769121074165e-33], [-2.424681687106925e-33, 2.8750333042999703, 2.269132549932915e-17], [1.1997879588606163e-33, 2.2691325499329155e-17, 2.87503330429997]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-4.60142335e-13 -4.60142335e-13 -4.60142335e-13 8.31319655e-31 4.97065299e-34 -1.35822209e-51] energy per atom = -4.2118324356194226 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0