element(s): ['Al'] 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: ['4.039'] model name: EAM_Dynamo_MishinFarkasMehl_1999_Al__MO_651801486679_005 ==== Building ASE atoms object with: ==== representative atom symbols = ['Al'] representative atom coordinates = [[0 0 0]] spacegroup = 225 cell = [[4.039, 0, 0], [0, 4.039, 0], [0, 0, 4.039]] ========================================= Step Time Energy fmax BFGS: 0 13:54:10 -13.438916 0.0662 BFGS: 1 13:54:10 -13.439096 0.0605 BFGS: 2 13:54:10 -13.440000 0.0003 BFGS: 3 13:54:10 -13.440000 0.0000 BFGS: 4 13:54:10 -13.440000 0.0000 Minimization converged after 4 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 4.918893984031937e-13 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Al', 'Al', 'Al', 'Al'] basis = [[0.00000000e+00 0.00000000e+00 0.00000000e+00] [3.37889866e-49 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([[4.050004661786773, -1.5217674794503072e-32, -2.4901722175474065e-33], [-1.4199679504362715e-32, 4.050004661786773, 2.2438355168929293e-18], [-2.6088316408125322e-34, 2.2438355168929274e-18, 4.050004661786773]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [4.91889398e-13 4.91889398e-13 4.91889398e-13 2.24434725e-29 1.56555445e-35 6.48700053e-52] energy per atom = -3.35999998828803 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0