element(s): ['Co'] AFLOW prototype label: A_tI2_139_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: ['2.9317', '0.99628202'] model name: MEAM_LAMMPS_DongKimKo_2012_CoAl__MO_099716416216_002 ==== Building ASE atoms object with: ==== representative atom symbols = ['Co'] representative atom coordinates = [[0 0 0]] spacegroup = 139 cell = [[2.9317, 0, 0], [0, 2.9317, 0], [0, 0, 2.9208]] ========================================= Step Time Energy fmax BFGS: 0 17:08:13 -8.531104 1.4526 BFGS: 1 17:08:13 -8.611808 1.1520 BFGS: 2 17:08:13 -8.719376 0.2549 BFGS: 3 17:08:13 -8.723635 0.0588 BFGS: 4 17:08:13 -8.723798 0.0079 BFGS: 5 17:08:13 -8.723800 0.0089 BFGS: 6 17:08:13 -8.723815 0.0112 BFGS: 7 17:08:13 -8.723822 0.0076 BFGS: 8 17:08:13 -8.723825 0.0020 BFGS: 9 17:08:13 -8.723826 0.0003 BFGS: 10 17:08:13 -8.723826 0.0000 BFGS: 11 17:08:13 -8.723826 0.0000 BFGS: 12 17:08:13 -8.723826 0.0000 BFGS: 13 17:08:13 -8.723826 0.0000 Minimization converged after 13 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 3.2745178266536494e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Co', 'Co'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[2.8078280535967393, -1.6048683934492206e-35, -8.768288236240937e-33], [-2.4656863475617277e-35, 2.8078280535967397, 1.9944447064728515e-17], [1.0299158634831411e-32, 1.9804198711549124e-17, 2.8078280535004145]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [ 3.27451783e-11 3.27451783e-11 1.87885760e-11 -3.79444652e-27 4.88573000e-35 -1.39372943e-50] energy per atom = -4.361912754392949 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Prototype label changed during relaxation: test template prototype is A_tI2_139_a, while relaxed is A_cI2_229_a. Skipping parameter set 0. No parameter sets in this group successfully added a property instance. Skipping this group.