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_ChoiKimSeol_2017_CoFe__MO_179158257180_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 16:19:13 -8.531104 1.452636 BFGS: 1 16:19:13 -8.611808 1.152038 BFGS: 2 16:19:13 -8.719377 0.254902 BFGS: 3 16:19:13 -8.723635 0.058824 BFGS: 4 16:19:13 -8.723798 0.007903 BFGS: 5 16:19:13 -8.723800 0.008883 BFGS: 6 16:19:13 -8.723815 0.011179 BFGS: 7 16:19:13 -8.723822 0.007614 BFGS: 8 16:19:13 -8.723825 0.001978 BFGS: 9 16:19:13 -8.723826 0.000323 BFGS: 10 16:19:13 -8.723826 0.000011 BFGS: 11 16:19:13 -8.723826 0.000001 BFGS: 12 16:19:13 -8.723826 0.000000 BFGS: 13 16:19:13 -8.723826 0.000000 Minimization converged after 13 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 3.284562634562234e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Co', 'Co'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[2.8078283130944763, 5.082516657385374e-37, -8.79950709402406e-33], [1.9799404365114618e-36, 2.807828313094477, 2.7792725638736795e-18], [4.930140016841581e-33, 2.763828664671213e-18, 2.807828312997863]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [ 3.28456263e-11 3.28456263e-11 1.88570086e-11 -4.03168453e-27 -1.92375584e-34 -1.21353342e-50] energy per atom = -4.361912817415175 =============================================== 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.