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_WilliamsMishinHamilton_2006_CuAg__MO_128703483589_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 16:03:24 -6.988442 0.071918 BFGS: 1 16:03:24 -6.988641 0.057346 BFGS: 2 16:03:24 -6.988986 0.000607 BFGS: 3 16:03:24 -6.988986 0.000006 BFGS: 4 16:03:24 -6.988986 0.000000 Minimization converged after 4 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 7.274954449111192e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Cu', 'Cu'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[2.8682700995773396, 1.6114628948351043e-33, 3.0544006863023115e-34], [-1.4324042860854392e-33, 2.86827009957734, -9.730026626958696e-23], [-5.708623937290837e-33, -9.730026626367812e-23, 2.8682700995773396]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [ 7.27495445e-11 7.27495445e-11 7.27495445e-11 8.85822642e-27 -1.17049725e-34 -4.07964965e-50] energy per atom = -3.4944929926428467 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0