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_CuiGaoCui_2012_LiSi__MO_557492625287_002 ==== 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 -1.577039 0.094630 BFGS: 1 16:51:40 -1.577206 0.086860 BFGS: 2 16:51:40 -1.578261 0.012156 BFGS: 3 16:51:40 -1.578270 0.009485 BFGS: 4 16:51:40 -1.578275 0.008875 BFGS: 5 16:51:40 -1.578283 0.007054 BFGS: 6 16:51:40 -1.578287 0.002976 BFGS: 7 16:51:40 -1.578288 0.000393 BFGS: 8 16:51:40 -1.578288 0.000065 BFGS: 9 16:51:40 -1.578288 0.000005 BFGS: 10 16:51:40 -1.578288 0.000000 BFGS: 11 16:51:40 -1.578288 0.000000 Minimization converged after 11 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 9.755849236497559e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Li'] basis = [[0. 0. 0.]] cellpar = Cell([[2.9651239245627674, 6.547824948344763e-20, 2.370631963255102e-40], [-1.4825619622813837, 2.5678726440403703, -2.2705184182378016e-42], [2.5800396541046138e-37, -2.057812771498749e-36, 2.76531455085462]]) forces = [[0. 0. 0.]] stress = [-5.96904535e-11 -5.96904535e-11 -9.75584924e-11 6.44783880e-47 4.32984620e-47 -3.38962126e-27] energy per atom = -1.5782879576216855 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0