element(s): ['Li'] AFLOW prototype label: A_cI2_229_a Parameter names: ['a'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['3.437'] 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 = 229 cell = [[3.437, 0, 0], [0, 3.437, 0], [0, 0, 3.437]] ========================================= Step Time Energy fmax BFGS: 0 16:12:55 -3.797289 0.030855 BFGS: 1 16:12:55 -3.797329 0.030085 BFGS: 2 16:12:55 -3.798133 0.001507 BFGS: 3 16:12:55 -3.798136 0.000080 BFGS: 4 16:12:55 -3.798136 0.000000 BFGS: 5 16:12:55 -3.798136 0.000000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 1.800346396115631e-12 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Li', 'Li'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[3.469009166167378, 5.5514369028533536e-33, 1.099545039509482e-34], [7.125958259327122e-33, 3.469009166167378, 3.713054946088999e-19], [-2.8500881338503896e-33, 3.713054946089024e-19, 3.469009166167378]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-1.80034640e-12 -1.80034640e-12 -1.80034640e-12 -1.52526179e-28 -5.33467954e-35 -1.11604059e-51] energy per atom = -0.5506181112750732 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0