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: MEAM_LAMMPS_Lee_2007_Si__MO_774917820956_001 ==== 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 17:55:36 -3.672021 4.578112 BFGS: 1 17:55:36 -3.823217 1.091226 BFGS: 2 17:55:36 -3.835770 0.440844 BFGS: 3 17:55:36 -3.838913 0.084930 BFGS: 4 17:55:36 -3.839049 0.009495 BFGS: 5 17:55:36 -3.839051 0.000453 BFGS: 6 17:55:36 -3.839051 0.000078 BFGS: 7 17:55:36 -3.839051 0.000003 BFGS: 8 17:55:36 -3.839051 0.000000 BFGS: 9 17:55:36 -3.839051 0.000000 Minimization converged after 9 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 1.1451930496021097e-10 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Si'] basis = [[0. 0. 0.]] cellpar = Cell([[2.679573891660688, -6.748467260705416e-18, -5.2532488662486825e-37], [-1.339786945830344, 2.3205790614956876, -2.3465504149725867e-37], [2.4170728509181984e-35, 9.55152436747516e-35, 2.679573891731013]]) forces = [[0. 0. 0.]] stress = [ 1.03819749e-10 1.03819749e-10 1.14519305e-10 2.13563972e-45 1.09923483e-45 -1.90384309e-26] energy per atom = -3.8390507531392704 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0