element(s): ['Ge'] 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: ['3.3628'] model name: SNAP_ZuoChenLi_2019quadratic_Ge__MO_766484508139_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Ge'] representative atom coordinates = [[0 0 0]] spacegroup = 229 cell = [[3.3628, 0, 0], [0, 3.3628, 0], [0, 0, 3.3628]] ========================================= Step Time Energy fmax BFGS: 0 15:57:23 -9.115793 0.034073 BFGS: 1 15:57:23 -9.115839 0.029456 BFGS: 2 15:57:23 -9.115968 0.002326 BFGS: 3 15:57:23 -9.115969 0.000134 BFGS: 4 15:57:23 -9.115969 0.000001 BFGS: 5 15:57:23 -9.115969 0.000000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 6.6156825980363e-12 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Ge', 'Ge'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[3.368478183258235, 8.688423730499766e-33, 2.5303914921990935e-34], [1.0974876462046863e-32, 3.368478183258235, -1.8123663987164812e-20], [-3.955842052514684e-33, -1.812366398717457e-20, 3.368478183258235]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [6.61568260e-12 6.61568260e-12 6.61568260e-12 5.77880243e-29 7.03309910e-60 2.61892384e-60] energy per atom = 0.34759741731688365 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0