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 15:09:19 -13.436591 0.044715 BFGS: 1 15:09:19 -13.436673 0.041104 BFGS: 2 15:09:19 -13.437120 0.000134 BFGS: 3 15:09:19 -13.437120 0.000000 BFGS: 4 15:09:19 -13.437120 0.000000 Minimization converged after 4 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 2.318357736788591e-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([[4.031036101244893, -3.308898322234357e-33, 1.6001905023004845e-32], [-1.474421417533991e-32, 4.031036101244893, -1.626909634235633e-18], [-4.846788855890922e-34, -1.6269096342356192e-18, 4.031036101244893]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [ 2.31835774e-13 2.31835774e-13 2.31835774e-13 -5.95676120e-29 -4.93850922e-37 7.94645281e-53] energy per atom = -3.359280122204633 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0