element(s): ['Au'] 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: ['4.134'] model name: EAM_Dynamo_AdamsFoilesWolfer_1989_Au__MO_087738844640_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Au'] representative atom coordinates = [[0 0 0]] spacegroup = 225 cell = [[4.134, 0, 0], [0, 4.134, 0], [0, 0, 4.134]] ========================================= Step Time Energy fmax BFGS: 0 16:48:10 -15.667238 0.6546 BFGS: 1 16:48:10 -15.684081 0.5455 BFGS: 2 16:48:10 -15.719692 0.0531 BFGS: 3 16:48:10 -15.719998 0.0037 BFGS: 4 16:48:10 -15.720000 0.0000 BFGS: 5 16:48:10 -15.720000 0.0000 BFGS: 6 16:48:10 -15.720000 0.0000 Minimization converged after 6 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 2.894461916950199e-15 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Au', 'Au', 'Au', 'Au'] basis = [[0.00000000e+00 0.00000000e+00 0.00000000e+00] [4.19257213e-50 5.00000000e-01 5.00000000e-01] [5.00000000e-01 0.00000000e+00 5.00000000e-01] [5.00000000e-01 5.00000000e-01 0.00000000e+00]] cellpar = Cell([[4.079999968055362, -2.7220851718319092e-33, -2.227475517759751e-34], [-2.9581161185433238e-33, 4.079999968055362, 3.922079401484407e-21], [-2.7690440642089344e-33, 3.922079401487366e-21, 4.079999968055362]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [ 2.89446192e-15 2.89446192e-15 2.89446192e-15 -2.89848767e-31 -1.15696485e-34 5.55997214e-51] energy per atom = -3.9299999994924137 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0