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 14:37:39 -1.554565 0.0798 BFGS: 1 14:37:39 -1.554803 0.0748 BFGS: 2 14:37:39 -1.556369 0.0111 BFGS: 3 14:37:39 -1.556375 0.0069 BFGS: 4 14:37:39 -1.556376 0.0052 BFGS: 5 14:37:39 -1.556378 0.0020 BFGS: 6 14:37:39 -1.556379 0.0006 BFGS: 7 14:37:39 -1.556379 0.0001 BFGS: 8 14:37:39 -1.556379 0.0000 BFGS: 9 14:37:39 -1.556379 0.0000 BFGS: 10 14:37:39 -1.556379 0.0000 BFGS: 11 14:37:39 -1.556379 0.0000 Minimization converged after 11 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 2.0734547412669958e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Li'] basis = [[0. 0. 0.]] cellpar = Cell([[2.9800447763991262, 1.1490533499295102e-17, 7.394827053616252e-38], [-1.4900223881995631, 2.58079448077676, -2.5026074818270068e-37], [-7.034423654064469e-37, -9.899620084650125e-35, 2.7644953561989842]]) forces = [[0. 0. 0.]] stress = [-2.07345474e-11 -2.07345474e-11 -1.24417144e-12 1.32191288e-40 -2.46657359e-40 -1.39402890e-27] energy per atom = -1.556379136200273 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0