element(s): ['Si'] AFLOW prototype label: A_hP1_191_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: ['2.6513', '0.93471127'] model name: SNAP_ZuoChenLi_2019_Si__MO_869330304805_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Si'] representative atom coordinates = [[0 0 0]] spacegroup = 191 cell = [[2.6513, 0, 0], [-1.32565, 2.2960931530537, 0], [0, 0, 2.4782]] ========================================= Step Time Energy fmax BFGS: 0 14:40:39 -4.963606 3.2777 BFGS: 1 14:40:39 -5.054401 0.6290 BFGS: 2 14:40:39 -5.062957 0.2311 BFGS: 3 14:40:39 -5.065125 0.0135 BFGS: 4 14:40:39 -5.065129 0.0039 BFGS: 5 14:40:39 -5.065129 0.0001 BFGS: 6 14:40:39 -5.065129 0.0000 BFGS: 7 14:40:39 -5.065129 0.0000 BFGS: 8 14:40:39 -5.065129 0.0000 Minimization converged after 8 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 1.1368830916836294e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Si'] basis = [[0. 0. 0.]] cellpar = Cell([[2.643296763587292, -4.00058695295705e-18, 3.864578048790658e-37], [-1.321648381793646, 2.289162147007784, 7.725840636704027e-37], [2.499507850395098e-35, 6.865634614061852e-35, 2.645363958609128]]) forces = [[0. 0. 0.]] stress = [-1.13688309e-11 -1.13688309e-11 -9.24258231e-12 -2.06677634e-47 -1.95107838e-48 -1.08891124e-27] energy per atom = -1.9018844259369176 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0