element(s): ['Li'] AFLOW prototype label: A_cF4_225_a Parameter names: ['a'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['4.3176'] model name: MEAM_LAMMPS_CuiGaoCui_2012_LiSi__MO_557492625287_001 ==== Building ASE atoms object with: ==== representative atom symbols = ['Li'] representative atom coordinates = [[0 0 0]] spacegroup = 225 cell = [[4.3176, 0, 0], [0, 4.3176, 0], [0, 0, 4.3176]] ========================================= Step Time Energy fmax BFGS: 0 15:16:40 -6.537978 0.037252 BFGS: 1 15:16:40 -6.538037 0.036572 BFGS: 2 15:16:40 -6.539637 0.001080 BFGS: 3 15:16:40 -6.539639 0.000033 BFGS: 4 15:16:40 -6.539639 0.000000 BFGS: 5 15:16:40 -6.539639 0.000000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 4.242206652431221e-14 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Li', 'Li', 'Li', 'Li'] basis = [[0.00000000e+00 0.00000000e+00 0.00000000e+00] [5.50525572e-49 5.00000000e-01 5.00000000e-01] [5.00000000e-01 0.00000000e+00 5.00000000e-01] [5.00000000e-01 5.00000000e-01 1.10685123e-35]] cellpar = Cell([[4.350019876054565, 1.889039305613606e-33, 3.8847858800940686e-33], [1.889026558178858e-33, 4.350019876054565, 4.387184041094655e-19], [1.7476959493407354e-32, 4.387184041094608e-19, 4.350019876054565]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [-4.24220665e-14 -4.24220665e-14 -4.24220665e-14 1.99942386e-29 -1.44186858e-35 5.11195244e-51] energy per atom = -1.6349096656073216 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0