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_2019quadratic_Li__MO_041269750353_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 14:37:56 -1.859170 0.2727 BFGS: 1 14:37:56 -1.861426 0.2496 BFGS: 2 14:37:56 -1.865068 0.1927 BFGS: 3 14:37:56 -1.869026 0.0617 BFGS: 4 14:37:56 -1.869085 0.0554 BFGS: 5 14:37:56 -1.869285 0.0051 BFGS: 6 14:37:56 -1.869287 0.0005 BFGS: 7 14:37:56 -1.869287 0.0000 BFGS: 8 14:37:56 -1.869287 0.0000 BFGS: 9 14:37:56 -1.869287 0.0000 Minimization converged after 9 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 2.19818533580919e-10 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Li'] basis = [[0. 0. 0.]] cellpar = Cell([[3.0216251208729936, -3.7870425348925353e-17, -6.923404379200187e-37], [-1.5108125604364968, 2.616804115389237, 1.435459264302553e-36], [1.2120820116216338e-35, -1.5559647706369213e-35, 2.777922249677094]]) forces = [[0. 0. 0.]] stress = [ 1.23030994e-10 1.23030994e-10 2.19818534e-10 -5.81182498e-37 -1.00663761e-36 4.67158699e-27] energy per atom = -0.5208373964740165 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0