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 15:59:07 -3.796004 0.060566 BFGS: 1 15:59:08 -3.796159 0.059517 BFGS: 2 15:59:08 -3.799679 0.019843 BFGS: 3 15:59:08 -3.799944 0.004836 BFGS: 4 15:59:08 -3.799963 0.000276 BFGS: 5 15:59:08 -3.799963 0.000004 BFGS: 6 15:59:08 -3.799963 0.000000 Minimization converged after 6 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 1.8356395495519124e-10 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Li', 'Li'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[3.5061864718666986, -7.067129729444211e-33, 5.001368086398784e-33], [-4.228264116978656e-33, 3.5061864718666986, 1.8110409832749195e-18], [-2.7585576925335228e-33, 1.8110409832749265e-18, 3.5061864718666986]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-1.83563955e-10 -1.83563955e-10 -1.83563955e-10 -1.66940422e-26 -3.98188818e-35 -1.84913959e-51] energy per atom = -0.5599087099986537 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0