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_LandaWynblattSiegel_2000_AlPb__MO_699137396381_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 -13.436591 0.0447 BFGS: 1 13:54:10 -13.436673 0.0411 BFGS: 2 13:54:10 -13.437120 0.0001 BFGS: 3 13:54:10 -13.437120 0.0000 BFGS: 4 13:54:10 -13.437120 0.0000 Minimization converged after 4 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 2.321928105269541e-13 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Al', 'Al', 'Al', 'Al'] basis = [[0.0000000e+00 0.0000000e+00 0.0000000e+00] [3.3947985e-49 5.0000000e-01 5.0000000e-01] [5.0000000e-01 0.0000000e+00 5.0000000e-01] [5.0000000e-01 5.0000000e-01 0.0000000e+00]] cellpar = Cell([[4.031036101244894, -3.054060743277882e-33, 1.591571467460478e-32], [-2.2388653714291757e-32, 4.031036101244894, -1.6268666110078554e-18], [-1.3183092743887434e-33, -1.6268666110078394e-18, 4.031036101244894]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [ 2.32192811e-13 2.32192811e-13 2.32192811e-13 -2.26539026e-30 3.95080737e-36 -2.61377291e-52] energy per atom = -3.3592801222045976 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0