element(s): ['Li'] AFLOW prototype label: A_cI2_229_a Parameter names: ['a'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['3.437'] model name: MEAM_LAMMPS_RoyDuttaChakraborti_2021_AlLi__MO_971738391444_001 ==== Building ASE atoms object with: ==== representative atom symbols = ['Li'] representative atom coordinates = [[0 0 0]] spacegroup = 229 cell = [[3.437, 0, 0], [0, 3.437, 0], [0, 0, 3.437]] ========================================= Step Time Energy fmax BFGS: 0 17:58:56 -3.293607 0.1038 BFGS: 1 17:58:56 -3.294060 0.0999 BFGS: 2 17:58:57 -3.299981 0.0054 BFGS: 3 17:58:57 -3.300000 0.0003 BFGS: 4 17:58:57 -3.300000 0.0000 BFGS: 5 17:58:57 -3.300000 0.0000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 9.530441534342209e-12 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Li', 'Li'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[3.5089999994260093, 1.7589718010369622e-33, 5.659276158828767e-34], [1.4108005049413227e-33, 3.5089999994260093, 9.296945995555475e-20], [5.571571265518692e-34, 9.296945995555548e-20, 3.5089999994260093]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-9.53044153e-12 -9.53044153e-12 -9.53044153e-12 -1.20836189e-27 2.86424669e-61 1.10602416e-60] energy per atom = -1.6500000000087451 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0