element(s): ['Li'] AFLOW prototype label: A_hP2_194_c 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: ['3.0565', '1.639326'] model name: MEAM_LAMMPS_FuemmelerVita_2023_Li__MO_386038428339_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Li'] representative atom coordinates = [[0.33333333 0.66666667 0.25 ]] spacegroup = 194 cell = [[3.0565, 0, 0], [-1.52825, 2.6470066466671, 0], [0, 0, 5.0106]] ========================================= Step Time Energy fmax BFGS: 0 14:02:40 -3.802511 0.028297 BFGS: 1 14:02:40 -3.802535 0.027043 BFGS: 2 14:02:40 -3.802771 0.005039 BFGS: 3 14:02:40 -3.802771 0.004758 BFGS: 4 14:02:40 -3.802773 0.003131 BFGS: 5 14:02:40 -3.802775 0.001865 BFGS: 6 14:02:40 -3.802777 0.001094 BFGS: 7 14:02:40 -3.802777 0.000274 BFGS: 8 14:02:40 -3.802777 0.000052 BFGS: 9 14:02:40 -3.802777 0.000003 BFGS: 10 14:02:40 -3.802777 0.000000 BFGS: 11 14:02:40 -3.802777 0.000000 Minimization converged after 11 steps. Maximum force component: 2.5737024752878504e-33 eV/Angstrom Maximum stress component: 1.2059198286591468e-10 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Li', 'Li'] basis = [[0.33333333 0.66666667 0.25 ] [0.66666666 0.33333334 0.75 ]] cellpar = Cell([[3.0421634194258664, 5.141543735388678e-18, -6.338565091626985e-39], [-1.5210817097129332, 2.6345908036865344, -1.5806900683383003e-38], [2.1237398895946726e-38, 5.603360727667093e-38, 5.011285228965156]]) forces = [[-5.85899363e-34 3.38269155e-34 2.57370248e-33] [ 3.90599575e-34 6.60150203e-52 -2.57370248e-33]] stress = [-1.20591983e-10 -1.20591983e-10 -8.49441158e-11 -3.88997602e-35 1.73850691e-48 3.44893575e-26] energy per atom = -1.9013885975268772 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0