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_AdamsFoilesWolfer_1989Universal6_Cu__MO_145873824897_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 16:02:13 -7.021411 0.057156 BFGS: 1 16:02:13 -7.021536 0.044868 BFGS: 2 16:02:13 -7.021735 0.000428 BFGS: 3 16:02:13 -7.021735 0.000003 BFGS: 4 16:02:13 -7.021735 0.000000 Minimization converged after 4 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 1.847258802549525e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Cu', 'Cu'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[2.870079682704606, -6.261476535994106e-33, 2.4823039944281765e-33], [-1.968557565240427e-33, 2.8700796827046062, -9.407909998669705e-23], [-3.9667635616426575e-33, -9.407909997882125e-23, 2.870079682704606]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [ 1.84725880e-11 1.84725880e-11 1.84725880e-11 -6.10313897e-28 3.89673908e-35 -2.65900040e-51] energy per atom = -3.5108674764340373 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0