element(s): ['Cu'] AFLOW prototype label: A_cF4_225_a Parameter names: ['a'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['3.6146'] model name: EAM_Dynamo_HoytGarvinWebb_2003_PbCu__MO_119135752160_005 ==== Building ASE atoms object with: ==== representative atom symbols = ['Cu'] representative atom coordinates = [[0 0 0]] spacegroup = 225 cell = [[3.6146, 0, 0], [0, 3.6146, 0], [0, 0, 3.6146]] ========================================= Step Time Energy fmax BFGS: 0 15:09:04 -14.160210 0.003711 BFGS: 1 15:09:04 -14.160210 0.003301 BFGS: 2 15:09:04 -14.160212 0.000002 BFGS: 3 15:09:04 -14.160212 0.000000 Minimization converged after 3 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 8.388253803475295e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Cu', 'Cu', 'Cu', 'Cu'] basis = [[0.00000000e+00 0.00000000e+00 0.00000000e+00] [0.00000000e+00 5.00000000e-01 5.00000000e-01] [5.00000000e-01 2.88807416e-54 5.00000000e-01] [5.00000000e-01 5.00000000e-01 0.00000000e+00]] cellpar = Cell([[3.615034302646564, 1.7026113214654066e-38, -2.5270650447961847e-54], [1.7344161213000706e-38, 3.615034302646564, -2.6616646105048407e-38], [2.5654516610946725e-53, 1.1213664359895713e-37, 3.615034302646564]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [-8.38825380e-11 -8.38825380e-11 -8.38825380e-11 -3.61383319e-42 1.22810187e-36 5.81802857e-65] energy per atom = -3.5400530514039827 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0