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_2019quadratic_Si__MO_721469752060_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 -5.121335 2.4380 BFGS: 1 14:40:39 -5.327326 2.3531 BFGS: 2 14:40:39 -5.496878 0.7465 BFGS: 3 14:40:39 -5.503315 0.8805 BFGS: 4 14:40:39 -5.509154 0.0705 BFGS: 5 14:40:39 -5.509281 0.0095 BFGS: 6 14:40:39 -5.509283 0.0003 BFGS: 7 14:40:39 -5.509283 0.0000 BFGS: 8 14:40:39 -5.509283 0.0000 Minimization converged after 8 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 3.3569396364604713e-10 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Si'] basis = [[0. 0. 0.]] cellpar = Cell([[2.429251120981715, 3.587321473967184e-18, -1.9068711884279092e-35], [-1.2146255604908576, 2.1037931829419905, -9.971557559823723e-37], [2.2611504486263247e-35, -9.31760606513624e-36, 2.6686162098978703]]) forces = [[0. 0. 0.]] stress = [-1.39075254e-10 -1.39075254e-10 -3.35693964e-10 8.91917470e-34 -3.96114455e-35 1.39443690e-27] energy per atom = -2.348325996461158 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0