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: LJ_ElliottAkerson_2015_Universal__MO_959249795837_003 ==== 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 15:29:03 -4.343283 6.954824 BFGS: 1 15:29:03 -5.323045 7.991338 BFGS: 2 15:29:03 -6.250920 7.325342 BFGS: 3 15:29:03 -6.842628 3.326160 BFGS: 4 15:29:03 -6.756840 9.427212 BFGS: 5 15:29:03 -6.877831 1.748949 BFGS: 6 15:29:03 -6.877718 1.631825 BFGS: 7 15:29:03 -6.889676 0.137340 BFGS: 8 15:29:03 -6.889795 0.013265 BFGS: 9 15:29:03 -6.889796 0.000065 BFGS: 10 15:29:03 -6.889796 0.000000 BFGS: 11 15:29:03 -6.889796 0.000000 Minimization converged after 11 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 6.581862882984512e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Li'] basis = [[0. 0. 0.]] cellpar = Cell([[2.4725694790197137, 1.318139239399915e-17, -4.788790264654207e-35], [-1.2362847395098568, 2.1413079814531244, -1.9476627467116532e-35], [-8.24511416144016e-34, -3.1352314592300985e-34, 2.4202715109260384]]) forces = [[0. 0. 0.]] stress = [-1.64686093e-11 -1.64686093e-11 6.58186288e-11 2.86283020e-45 -3.06719692e-45 2.31389869e-27] energy per atom = -6.8897956428129215 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0