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_000 ==== 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 16:12:39 -3.293607 0.103806 BFGS: 1 16:12:39 -3.294060 0.099916 BFGS: 2 16:12:39 -3.299981 0.005440 BFGS: 3 16:12:39 -3.300000 0.000309 BFGS: 4 16:12:39 -3.300000 0.000001 BFGS: 5 16:12:39 -3.300000 0.000000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 9.530408022892084e-12 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Li', 'Li'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[3.5089999994260097, 3.8082174243137456e-33, 3.499401506805009e-34], [6.588531025183318e-33, 3.5089999994260097, 9.322114662784189e-20], [6.368961505801357e-33, 9.322114662783401e-20, 3.5089999994260097]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-9.53040802e-12 -9.53040802e-12 -9.53040802e-12 -1.77923030e-27 3.25861095e-37 2.66907891e-53] energy per atom = -1.6500000000087445 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0