element(s): ['Cu'] 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: ['2.8755'] model name: EAM_Dynamo_MendelevKing_2013_Cu__MO_748636486270_005 ==== Building ASE atoms object with: ==== representative atom symbols = ['Cu'] representative atom coordinates = [[0 0 0]] spacegroup = 229 cell = [[2.8755, 0, 0], [0, 2.8755, 0], [0, 0, 2.8755]] ========================================= Step Time Energy fmax BFGS: 0 17:49:21 -6.759481 0.1574 BFGS: 1 17:49:21 -6.760456 0.1315 BFGS: 2 17:49:21 -6.762604 0.0095 BFGS: 3 17:49:21 -6.762614 0.0007 BFGS: 4 17:49:21 -6.762614 0.0000 BFGS: 5 17:49:21 -6.762614 0.0000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 1.0906392596575333e-10 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Cu', 'Cu'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[2.894140935601519, 9.736266309845424e-33, 8.057013735935585e-35], [6.239655478606071e-33, 2.8941409356015195, -3.6235622508443994e-18], [8.946738087566505e-34, -3.6235622508444e-18, 2.894140935601519]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [ 1.09063926e-10 1.09063926e-10 1.09063926e-10 -4.70367524e-27 2.45261769e-34 -8.55875282e-51] energy per atom = -3.381306982175966 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0