element(s): ['Li'] 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: ['2.9353', '0.92505025'] model name: MEAM_LAMMPS_KimJungLee_2012_LiMg__MO_427397414195_002 ==== Building ASE atoms object with: ==== representative atom symbols = ['Li'] representative atom coordinates = [[0 0 0]] spacegroup = 191 cell = [[2.9353, 0, 0], [-1.46765, 2.5420443677285, 0], [0, 0, 2.7153]] ========================================= Step Time Energy fmax BFGS: 0 16:51:39 -1.554565 0.079817 BFGS: 1 16:51:40 -1.554803 0.074810 BFGS: 2 16:51:40 -1.556369 0.011118 BFGS: 3 16:51:40 -1.556375 0.006949 BFGS: 4 16:51:40 -1.556376 0.005242 BFGS: 5 16:51:40 -1.556378 0.002046 BFGS: 6 16:51:40 -1.556379 0.000631 BFGS: 7 16:51:40 -1.556379 0.000139 BFGS: 8 16:51:40 -1.556379 0.000018 BFGS: 9 16:51:40 -1.556379 0.000000 BFGS: 10 16:51:40 -1.556379 0.000000 BFGS: 11 16:51:40 -1.556379 0.000000 Minimization converged after 11 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 2.073472262769811e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Li'] basis = [[0. 0. 0.]] cellpar = Cell([[2.9800447763991245, 1.1377532303233619e-17, 1.8583786519058175e-37], [-1.4900223881995622, 2.5807944807767584, 1.143432817134133e-36], [-1.3573343350165383e-36, -1.939163874592915e-36, 2.764495356198984]]) forces = [[0. 0. 0.]] stress = [-2.07347226e-11 -2.07347226e-11 -1.24415121e-12 2.81190061e-36 -1.00091178e-47 8.23445509e-28] energy per atom = -1.5563791362002726 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0