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 15:44:55 -6.565681 0.480938 BFGS: 1 15:44:55 -6.574963 0.419573 BFGS: 2 15:44:55 -6.606408 0.017081 BFGS: 3 15:44:55 -6.606435 0.007040 BFGS: 4 15:44:55 -6.606441 0.000073 BFGS: 5 15:44:55 -6.606441 0.000000 BFGS: 6 15:44:55 -6.606441 0.000000 Minimization converged after 6 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 8.730145082485545e-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, 6.3548191485460285e-34, 1.7247329762391716e-33], [-6.628980619640064e-34, 3.1480502550410523, -2.199032395418326e-22], [2.750683354899138e-33, -2.199032395450958e-22, 3.1480502550410523]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [ 8.73014508e-13 8.73014508e-13 8.73014508e-13 1.93756180e-28 -1.03646800e-34 1.16811186e-50] 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