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_OnatDurukanoglu_2014_CuNi__MO_592013496703_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 16:03:23 -7.011905 0.226376 BFGS: 1 16:03:23 -7.013876 0.183622 BFGS: 2 16:03:23 -7.017704 0.013263 BFGS: 3 16:03:23 -7.017721 0.001110 BFGS: 4 16:03:23 -7.017721 0.000003 BFGS: 5 16:03:23 -7.017721 0.000000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 6.182834469138118e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Cu', 'Cu'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[2.898877203702543, 3.3619885733121414e-33, 9.110331129107311e-38], [-1.822016592069784e-33, 2.8988772037025434, 1.913351450754114e-20], [5.058850758152608e-34, 1.9133514507541106e-20, 2.898877203702543]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [ 6.18283447e-11 6.18283447e-11 6.18283447e-11 -1.00112970e-26 -3.81970301e-36 6.32659106e-52] energy per atom = -3.508860735667266 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0