element(s): ['Si'] AFLOW prototype label: A_hP2_194_c 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: ['2.6864', '1.708383'] model name: SNAP_ZuoChenLi_2019_Si__MO_869330304805_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Si'] representative atom coordinates = [[0.33333333 0.66666667 0.25 ]] spacegroup = 194 cell = [[2.6864, 0, 0], [-1.3432, 2.3264906447265, 0], [0, 0, 4.5894]] ========================================= Step Time Energy fmax BFGS: 0 15:11:18 -9.951379 0.698009 BFGS: 1 15:11:18 -9.964018 0.510289 BFGS: 2 15:11:18 -9.977864 0.183155 BFGS: 3 15:11:18 -9.978352 0.169629 BFGS: 4 15:11:18 -9.980471 0.015379 BFGS: 5 15:11:18 -9.980488 0.002208 BFGS: 6 15:11:18 -9.980489 0.000003 BFGS: 7 15:11:18 -9.980489 0.000000 BFGS: 8 15:11:18 -9.980489 0.000000 Minimization converged after 8 steps. Maximum force component: 3.238118264233642e-32 eV/Angstrom Maximum stress component: 9.412421191789601e-15 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Si', 'Si'] basis = [[0.33333333 0.66666667 0.25 ] [0.66666666 0.33333334 0.75 ]] cellpar = Cell([[2.6270736392100917, 3.0527965241340837e-18, 1.8621444886695987e-37], [-1.3135368196050459, 2.2751125091683733, 3.969820725106016e-37], [-5.705181271559557e-36, -1.7290534329217346e-35, 4.6288699090213825]]) forces = [[-3.23811826e-32 1.86952845e-32 1.73194102e-69] [-3.23811826e-32 1.86952845e-32 1.73194102e-69]] stress = [-9.41242119e-15 -9.41242119e-15 -7.53614782e-15 7.80281566e-33 2.70297463e-33 -2.95321635e-30] energy per atom = -1.8269994337736675 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0