element(s): ['Ge'] AFLOW prototype label: A_cF8_227_a Parameter names: ['a'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['5.7441'] model name: SNAP_ZuoChenLi_2019_Ge__MO_183216355174_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Ge'] representative atom coordinates = [[0 0 0]] spacegroup = 227 cell = [[5.7441, 0, 0], [0, 5.7441, 0], [0, 0, 5.7441]] ========================================= Step Time Energy fmax BFGS: 0 16:27:27 -35.933379 0.142721 BFGS: 1 16:27:27 -35.934229 0.135312 BFGS: 2 16:27:27 -35.941960 0.004511 BFGS: 3 16:27:27 -35.941969 0.000149 BFGS: 4 16:27:27 -35.941969 0.000000 BFGS: 5 16:27:27 -35.941969 0.000000 Minimization converged after 5 steps. Maximum force component: 3.5788897776786896e-32 eV/Angstrom Maximum stress component: 2.740684714968508e-13 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Ge', 'Ge', 'Ge', 'Ge', 'Ge', 'Ge', 'Ge', 'Ge'] basis = [[2.50370893e-33 0.00000000e+00 1.33692779e-32] [5.58519684e-33 5.00000000e-01 5.00000000e-01] [5.00000000e-01 5.00000000e-01 8.92618709e-33] [5.00000000e-01 3.06864838e-32 5.00000000e-01] [7.50000000e-01 2.50000000e-01 7.50000000e-01] [2.50000000e-01 2.50000000e-01 2.50000000e-01] [2.50000000e-01 7.50000000e-01 7.50000000e-01] [7.50000000e-01 7.50000000e-01 2.50000000e-01]] cellpar = Cell([[5.773253017377388, 4.447964725111401e-34, -8.902858127666966e-37], [-5.337531267290175e-34, 5.773253017377388, -6.5308217904919e-25], [2.746232804269901e-36, -6.530821790491908e-25, 5.773253017377388]]) forces = [[-7.41258724e-34 1.11188809e-32 -1.33426570e-32] [-8.15384597e-33 -1.11188809e-32 7.73688793e-33] [-4.44755235e-33 3.57888978e-32 -8.15384597e-33] [-2.37202792e-32 -1.33426570e-32 -9.26573405e-34] [ 1.03776221e-32 8.89510469e-33 2.00139856e-32] [ 2.22377617e-33 -1.48251745e-32 5.93006979e-33] [-1.03776221e-32 1.33426570e-32 1.48251745e-33] [ 1.03776221e-32 -1.33426570e-32 1.48251745e-33]] stress = [-2.74068471e-13 -2.74068471e-13 -2.74068471e-13 5.84858256e-31 3.08175445e-35 5.64770819e-53] energy per atom = 0.19975324627949398 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0