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_2019_Li__MO_732106099012_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 -3.796004 0.060566 BFGS: 1 16:12:55 -3.796159 0.059517 BFGS: 2 16:12:55 -3.799679 0.019843 BFGS: 3 16:12:55 -3.799944 0.004836 BFGS: 4 16:12:55 -3.799963 0.000276 BFGS: 5 16:12:55 -3.799963 0.000004 BFGS: 6 16:12:55 -3.799963 0.000000 Minimization converged after 6 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 1.8356399019747552e-10 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Li', 'Li'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[3.5061864718666973, -2.226749091831035e-33, 8.075790795814023e-34], [-1.010251806345876e-32, 3.5061864718666973, -3.8173061301898865e-19], [-1.5123311041367929e-34, -3.817306130189863e-19, 3.5061864718666973]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-1.83563990e-10 -1.83563990e-10 -1.83563990e-10 -4.56319536e-27 -5.22214843e-36 -1.10190745e-52] energy per atom = -0.559908709998653 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0