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_FarkasCaro_2020_FeNiCrCoAl__MO_820335782779_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 09:44:05 -13.438940 0.0641 BFGS: 1 09:44:05 -13.439109 0.0589 BFGS: 2 09:44:05 -13.439999 0.0024 BFGS: 3 09:44:05 -13.440000 0.0001 BFGS: 4 09:44:05 -13.440000 0.0000 BFGS: 5 09:44:05 -13.440000 0.0000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 5.834980704399816e-14 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Al', 'Al', 'Al', 'Al'] basis = [[0.00000000e+00 0.00000000e+00 0.00000000e+00] [6.33544165e-50 5.00000000e-01 5.00000000e-01] [5.00000000e-01 0.00000000e+00 5.00000000e-01] [5.00000000e-01 5.00000000e-01 0.00000000e+00]] cellpar = Cell([[4.050000398469296, -1.4590758529018275e-33, 5.558772479846805e-38], [-1.016304688782857e-33, 4.050000398469296, 8.662062725743175e-20], [-5.377817828601897e-37, 8.662062725743174e-20, 4.050000398469296]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [5.83498070e-14 5.83498070e-14 5.83498070e-14 1.39081572e-32 5.38160474e-35 7.45160442e-54] energy per atom = -3.360000019103874 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0