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_KimJungLee_2012_LiMg__MO_427397414195_002 ==== 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 17:58:57 -3.289476 0.0809 BFGS: 1 17:58:57 -3.289751 0.0776 BFGS: 2 17:58:57 -3.293145 0.0149 BFGS: 3 17:58:57 -3.293503 0.0252 BFGS: 4 17:58:57 -3.296196 0.0697 BFGS: 5 17:58:57 -3.291732 0.1091 BFGS: 6 17:58:57 -3.295919 0.0753 BFGS: 7 17:58:57 -3.293065 0.0153 BFGS: 8 17:58:57 -3.293336 0.0188 BFGS: 9 17:58:57 -3.295148 0.0828 BFGS: 10 17:58:57 -3.293802 0.0376 BFGS: 11 17:58:57 -3.295153 0.0738 BFGS: 12 17:58:57 -3.295468 0.0798 BFGS: 13 17:58:57 -3.296710 0.0316 BFGS: 14 17:58:57 -3.296734 0.0310 BFGS: 15 17:58:57 -3.296778 0.0045 BFGS: 16 17:58:57 -3.296779 0.0005 BFGS: 17 17:58:57 -3.296779 0.0000 BFGS: 18 17:58:57 -3.296779 0.0000 BFGS: 19 17:58:57 -3.296779 0.0000 Minimization converged after 19 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 5.4620925511091844e-14 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Li', 'Li'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[3.532111042124315, 5.979513011441792e-34, -1.0974140972256863e-33], [3.577647706504341e-33, 3.532111042124315, 1.5475648798323155e-18], [1.7095193129386588e-33, 1.5475648798323138e-18, 3.532111042124315]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-5.46209255e-14 -5.46209255e-14 -5.46209255e-14 3.90480643e-30 2.05830877e-35 -1.07089060e-51] energy per atom = -1.6483893734919826 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0