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: SNAP_ZuoChenLi_2019_Li__MO_732106099012_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 16:53:50 -1.859316 0.066888 BFGS: 1 16:53:50 -1.859421 0.057685 BFGS: 2 16:53:50 -1.859663 0.009980 BFGS: 3 16:53:50 -1.859666 0.007952 BFGS: 4 16:53:50 -1.859672 0.000030 BFGS: 5 16:53:50 -1.859672 0.000000 BFGS: 6 16:53:50 -1.859672 0.000000 Minimization converged after 6 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 7.998260111467187e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Li'] basis = [[0. 0. 0.]] cellpar = Cell([[2.9265781728435183, 1.208295012078511e-18, -9.280411981616897e-38], [-1.4632890864217591, 2.5344910438435324, -3.7134430495143008e-37], [8.579702744806275e-38, 1.3938577917938765e-37, 2.696564469324125]]) forces = [[0. 0. 0.]] stress = [ 1.41977368e-11 1.41977368e-11 -7.99826011e-11 -2.81798656e-35 -1.62696530e-35 -1.47585361e-27] energy per atom = -0.5195991537950457 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0