element(s): ['Co'] AFLOW prototype label: A_tI2_139_a Parameter names: ['a', 'c/a'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['2.9317', '0.99628202'] model name: EAM_Dynamo_PunYamakovMishin_2015_NiCo__MO_010613863288_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Co'] representative atom coordinates = [[0 0 0]] spacegroup = 139 cell = [[2.9317, 0, 0], [0, 2.9317, 0], [0, 0, 2.9208]] ========================================= Step Time Energy fmax BFGS: 0 16:17:16 -8.500969 1.218163 BFGS: 1 16:17:16 -8.558451 0.996620 BFGS: 2 16:17:16 -8.651541 0.206067 BFGS: 3 16:17:16 -8.654432 0.059751 BFGS: 4 16:17:16 -8.654674 0.004505 BFGS: 5 16:17:16 -8.654674 0.001905 BFGS: 6 16:17:16 -8.654674 0.001679 BFGS: 7 16:17:16 -8.654676 0.004015 BFGS: 8 16:17:16 -8.654680 0.008907 BFGS: 9 16:17:16 -8.654697 0.033694 BFGS: 10 16:17:16 -8.654719 0.046791 BFGS: 11 16:17:16 -8.654609 0.095019 BFGS: 12 16:17:16 -8.654870 0.043858 BFGS: 13 16:17:16 -8.654983 0.033400 BFGS: 14 16:17:16 -8.655092 0.012444 BFGS: 15 16:17:16 -8.655155 0.002657 BFGS: 16 16:17:16 -8.655160 0.000714 BFGS: 17 16:17:16 -8.655161 0.000050 BFGS: 18 16:17:16 -8.655161 0.000001 BFGS: 19 16:17:16 -8.655161 0.000000 BFGS: 20 16:17:16 -8.655161 0.000000 Minimization converged after 20 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 1.8915925007960178e-10 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Co', 'Co'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[2.866954603738607, -1.833798390654653e-34, -2.3949302558539354e-32], [6.635518091514105e-35, 2.8669546037386078, 4.181321692651039e-17], [1.0298532808890564e-32, 4.100707381884577e-17, 2.716540691523273]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [ 1.89159250e-10 1.89159250e-10 1.65470085e-10 -7.32220387e-26 7.91322351e-34 -2.49735520e-49] energy per atom = -4.327580322821742 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0