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_MendelevFangYe_2015_AlSm__MO_338600200739_000 ==== 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 10:07:22 -15.620561 0.011962 BFGS: 1 10:07:22 -15.620567 0.010888 BFGS: 2 10:07:22 -15.620595 0.000025 BFGS: 3 10:07:22 -15.620595 0.000000 BFGS: 4 10:07:22 -15.620595 0.000000 Minimization converged after 4 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 1.528489973209269e-14 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Al', 'Al', 'Al', 'Al'] basis = [[0. 0. 0. ] [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ]] cellpar = Cell([[4.040926460708367, 1.459032462764834e-32, -3.5686512503983065e-33], [1.5215393851511903e-32, 4.040926460708367, 3.885565313805363e-19], [-5.182487023819425e-34, 3.8855653138053417e-19, 4.040926460708367]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [-1.52848997e-14 -1.52848997e-14 -1.52848997e-14 2.96755685e-31 -1.96574573e-36 2.60420003e-53] energy per atom = -3.905148801237304 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0