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_SchopfBrommerFrigan_2012_AlMnPd__MO_137572817842_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 11:11:13 -14.744494 0.685893 BFGS: 1 11:11:13 -14.763928 0.636513 BFGS: 2 11:11:13 -14.841644 0.405501 BFGS: 3 11:11:13 -14.887072 0.205344 BFGS: 4 11:11:14 -14.904624 0.032371 BFGS: 5 11:11:14 -14.905121 0.002820 BFGS: 6 11:11:14 -14.905125 0.000037 BFGS: 7 11:11:14 -14.905125 0.000000 BFGS: 8 11:11:15 -14.905125 0.000000 Minimization converged after 8 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 9.393433229220007e-13 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Al', 'Al', 'Al', 'Al'] basis = [[0.0000000e+00 0.0000000e+00 0.0000000e+00] [0.0000000e+00 5.0000000e-01 5.0000000e-01] [5.0000000e-01 3.6590998e-34 5.0000000e-01] [5.0000000e-01 5.0000000e-01 0.0000000e+00]] cellpar = Cell([[4.210718588398458, -1.812844312758536e-32, -2.4728136982271504e-32], [-1.9286846797579097e-32, 4.210718588398458, 1.3233419322895878e-17], [-1.2106160190297188e-33, 1.3233419322895853e-17, 4.210718588398458]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [9.39343323e-13 9.39343323e-13 9.39343323e-13 4.12903783e-29 3.62081884e-36 4.59533796e-52] energy per atom = -3.630232028721628 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0