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_MendelevAstaRahman_2009_AlMg__MO_658278549784_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 13:54:15 -13.642278 0.0378 BFGS: 1 13:54:15 -13.642336 0.0345 BFGS: 2 13:54:15 -13.642628 0.0005 BFGS: 3 13:54:15 -13.642628 0.0000 BFGS: 4 13:54:15 -13.642628 0.0000 Minimization converged after 4 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 7.924630995656511e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Al', 'Al', 'Al', 'Al'] basis = [[0.00000000e+00 0.00000000e+00 0.00000000e+00] [1.69142650e-49 5.00000000e-01 5.00000000e-01] [5.00000000e-01 2.38047117e-35 5.00000000e-01] [5.00000000e-01 5.00000000e-01 2.38047117e-35]] cellpar = Cell([[4.045270459242767, -1.018645045469697e-33, 3.362213784860987e-33], [-3.569379021034273e-33, 4.045270459242767, -1.2540706123280102e-18], [-8.701434038712274e-34, -1.254070612328006e-18, 4.045270459242767]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [-7.92463100e-11 -7.92463100e-11 -7.92463100e-11 -1.12010199e-26 1.17691571e-35 7.15712619e-52] energy per atom = -3.4106569861254026 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0