element(s): ['Al'] AFLOW prototype label: A_cI2_229_a Parameter names: ['a'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['3.233'] model name: EAM_Dynamo_LiuOhotnickyAdams_1997_AlMg__MO_559870613549_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Al'] representative atom coordinates = [[0 0 0]] spacegroup = 229 cell = [[3.233, 0, 0], [0, 3.233, 0], [0, 0, 3.233]] ========================================= Step Time Energy fmax BFGS: 0 11:14:51 -6.565681 0.480938 BFGS: 1 11:14:51 -6.574963 0.419573 BFGS: 2 11:14:51 -6.606408 0.017081 BFGS: 3 11:14:51 -6.606435 0.007040 BFGS: 4 11:14:51 -6.606441 0.000073 BFGS: 5 11:14:52 -6.606441 0.000000 BFGS: 6 11:14:52 -6.606441 0.000000 Minimization converged after 6 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 8.730145082485548e-13 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Al', 'Al'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[3.1480502550410523, -1.3235070768101763e-33, -8.75755550118362e-34], [-2.946262315123564e-33, 3.1480502550410523, -4.122198101050843e-22], [1.0204164851350565e-33, -4.1221981010670827e-22, 3.1480502550410523]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [ 8.73014508e-13 8.73014508e-13 8.73014508e-13 -1.81506686e-29 -1.03646800e-34 1.37950490e-51] energy per atom = -3.3032203234032345 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0