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 16:55:50 -4.963606 3.277698 BFGS: 1 16:55:50 -5.054401 0.629026 BFGS: 2 16:55:50 -5.062957 0.231091 BFGS: 3 16:55:50 -5.065125 0.013491 BFGS: 4 16:55:50 -5.065129 0.003853 BFGS: 5 16:55:50 -5.065129 0.000105 BFGS: 6 16:55:50 -5.065129 0.000003 BFGS: 7 16:55:50 -5.065129 0.000000 BFGS: 8 16:55:50 -5.065129 0.000000 Minimization converged after 8 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 1.1369946511703262e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Si'] basis = [[0. 0. 0.]] cellpar = Cell([[2.6432967635872906, -4.021028651551846e-18, -1.2486037383924857e-38], [-1.3216483817936453, 2.2891621470077834, 8.904821228667743e-38], [-7.494336090363521e-36, 2.3523371397300232e-35, 2.6453639586091287]]) forces = [[0. 0. 0.]] stress = [-1.13699465e-11 -1.13699465e-11 -9.24282854e-12 -8.48100325e-35 -8.88106258e-47 5.07320232e-27] energy per atom = -1.9018844259369168 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0