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_LiuAdams_1998_AlMg__MO_019873715786_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 16:09:38 -13.439428 0.042142 BFGS: 1 16:09:38 -13.439501 0.038469 BFGS: 2 16:09:38 -13.439864 0.000082 BFGS: 3 16:09:38 -13.439864 0.000001 BFGS: 4 16:09:38 -13.439864 0.000000 Minimization converged after 4 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 2.735378098516463e-12 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 0.0000000e+00 5.0000000e-01] [5.0000000e-01 5.0000000e-01 3.6442312e-40]] cellpar = Cell([[4.032038191238897, 3.104770673926608e-34, -1.0905165417812253e-36], [3.795345629761297e-41, 4.032038191238897, 2.61726926523694e-23], [-1.6034774918190356e-32, 2.6172692668470912e-23, 4.032038191238897]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [ 2.73537810e-12 2.73537810e-12 2.73537810e-12 6.09472444e-28 -6.31815010e-35 1.42048320e-52] energy per atom = -3.359966018318306 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0