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 16:53:50 -1.859170 0.272707 BFGS: 1 16:53:50 -1.861426 0.249583 BFGS: 2 16:53:50 -1.865068 0.192676 BFGS: 3 16:53:50 -1.869026 0.061700 BFGS: 4 16:53:50 -1.869085 0.055381 BFGS: 5 16:53:50 -1.869285 0.005115 BFGS: 6 16:53:50 -1.869287 0.000537 BFGS: 7 16:53:50 -1.869287 0.000017 BFGS: 8 16:53:50 -1.869287 0.000001 BFGS: 9 16:53:50 -1.869287 0.000000 Minimization converged after 9 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 2.1981874966086674e-10 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Li'] basis = [[0. 0. 0.]] cellpar = Cell([[3.0216251208729923, -2.1715995449154838e-17, 1.1271322825229323e-35], [-1.5108125604364961, 2.616804115389236, 4.874532943580061e-35], [-5.6802279782383884e-36, -3.0327636366791614e-35, 2.777922249677095]]) forces = [[0. 0. 0.]] stress = [ 1.23030825e-10 1.23030825e-10 2.19818750e-10 -1.76627339e-35 7.64818813e-36 4.58415030e-26] energy per atom = -0.5208373964740196 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0