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_DeluigiPasianotValencia_2021_FeNiCrCoCu__MO_657255834688_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 14:48:21 -7.262716 3.4489 BFGS: 1 14:48:21 -7.736973 2.9114 BFGS: 2 14:48:21 -8.114660 2.0826 BFGS: 3 14:48:21 -8.349046 1.0154 BFGS: 4 14:48:21 -8.423229 0.0698 BFGS: 5 14:48:21 -8.423654 0.0110 BFGS: 6 14:48:21 -8.423665 0.0002 BFGS: 7 14:48:21 -8.423665 0.0000 BFGS: 8 14:48:21 -8.423665 0.0000 Minimization converged after 8 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 4.600937680926447e-13 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Co', 'Cr'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[2.8750333042971397, -1.4396993557430191e-33, 5.515692420809248e-33], [1.6098982661036472e-33, 2.8750333042971397, 2.815676329286169e-17], [7.317795614364636e-33, 2.8156763292861695e-17, 2.8750333042971397]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-4.60093768e-13 -4.60093768e-13 -4.60093768e-13 1.03914372e-28 -4.97065299e-34 1.68238897e-49] energy per atom = -4.211832435618391 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0