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: SNAP_ZuoChenLi_2019quadratic_Li__MO_041269750353_000 ==== 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 16:24:33 -7.603220 0.129330 BFGS: 1 16:24:33 -7.603926 0.125484 BFGS: 2 16:24:33 -7.613334 0.010520 BFGS: 3 16:24:33 -7.613382 0.002270 BFGS: 4 16:24:33 -7.613384 0.000028 BFGS: 5 16:24:33 -7.613384 0.000000 BFGS: 6 16:24:33 -7.613384 0.000000 Minimization converged after 6 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 1.383858052386245e-13 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Li', 'Li', 'Li', 'Li'] basis = [[0. 0. 0. ] [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ]] cellpar = Cell([[4.265059816869771, 8.878995400673324e-34, -2.896148178586907e-34], [1.449266487768521e-33, 4.265059816869771, 6.500644859852504e-19], [-8.086877647785624e-33, 6.500644859852582e-19, 4.265059816869771]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [1.38385805e-13 1.38385805e-13 1.38385805e-13 4.91788724e-29 1.52194194e-35 3.05905423e-51] energy per atom = -0.5548963641299822 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0