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_BorovikovMendelevKing_2016_CuZr__MO_097471813275_000 ==== 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 16:02:17 -6.738837 0.191643 BFGS: 1 16:02:17 -6.740254 0.153246 BFGS: 2 16:02:17 -6.742777 0.001092 BFGS: 3 16:02:17 -6.742778 0.000009 BFGS: 4 16:02:17 -6.742778 0.000000 Minimization converged after 4 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 5.200010983983645e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Cu', 'Cu'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[2.8952595262876257, 1.1779018390040928e-36, -2.205534385761413e-33], [-6.966281741591674e-37, 2.895259526287626, 2.6512046649130788e-20], [-1.6209906616692674e-32, 2.6512046649148522e-20, 2.8952595262876257]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-5.20001098e-11 -5.20001098e-11 -5.20001098e-11 1.15473635e-26 4.28876509e-34 -9.52336284e-50] energy per atom = -3.3713887896976704 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0