element(s): ['Mo'] 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: ['3.1827'] model name: MEAM_LAMMPS_ParkFellingerLenosky_2012_Mo__MO_269937397263_002 ==== Building ASE atoms object with: ==== representative atom symbols = ['Mo'] representative atom coordinates = [[0 0 0]] spacegroup = 229 cell = [[3.1827, 0, 0], [0, 3.1827, 0], [0, 0, 3.1827]] ========================================= Step Time Energy fmax BFGS: 0 18:00:39 -13.629920 0.3330 BFGS: 1 18:00:39 -13.633514 0.1700 BFGS: 2 18:00:39 -13.634755 0.0040 BFGS: 3 18:00:39 -13.634755 0.0001 BFGS: 4 18:00:39 -13.634755 0.0000 BFGS: 5 18:00:39 -13.634755 0.0000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 5.044187607564983e-15 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Mo', 'Mo'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[3.1674131095192553, 1.5758434133482044e-33, 3.4056473221739022e-34], [-7.458666443360583e-33, 3.167413109519255, -8.63343693782553e-21], [-4.564938384891134e-34, -8.633436937822084e-21, 3.1674131095192553]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-5.04418761e-15 -5.04418761e-15 -5.04418761e-15 1.68010843e-33 -1.11981907e-35 -8.29952939e-53] energy per atom = -6.8173776577779 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0