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_FuemmelerVita_2023_Li__MO_386038428339_000 ==== 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 16:51:40 -1.828332 0.079900 BFGS: 1 16:51:40 -1.828512 0.072258 BFGS: 2 16:51:40 -1.829383 0.009288 BFGS: 3 16:51:40 -1.829397 0.004342 BFGS: 4 16:51:40 -1.829398 0.004657 BFGS: 5 16:51:40 -1.829400 0.003795 BFGS: 6 16:51:40 -1.829401 0.001802 BFGS: 7 16:51:40 -1.829401 0.000262 BFGS: 8 16:51:40 -1.829401 0.000045 BFGS: 9 16:51:40 -1.829401 0.000004 BFGS: 10 16:51:40 -1.829401 0.000000 BFGS: 11 16:51:40 -1.829401 0.000000 Minimization converged after 11 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 1.0289263032140616e-10 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Li'] basis = [[0. 0. 0.]] cellpar = Cell([[2.9659743624549164, -4.033419587653968e-18, -1.3592437737999527e-37], [-1.4829871812274582, 2.568609144859312, 9.334083775159049e-38], [6.889530251286347e-37, -7.618765216237483e-36, 2.749607813163472]]) forces = [[0. 0. 0.]] stress = [-6.90702929e-11 -6.90702929e-11 -1.02892630e-10 4.09037351e-35 7.87192749e-36 -1.07893392e-28] energy per atom = -1.8294010104651777 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0