element(s): ['Co'] AFLOW prototype label: A_hP2_194_c Parameter names: ['a', 'c/a'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['2.5032', '1.5893656'] model name: EAM_Dynamo_ZhouJohnsonWadley_2004_Co__MO_924630542818_005 ==== Building ASE atoms object with: ==== representative atom symbols = ['Co'] representative atom coordinates = [[0.33333333 0.66666667 0.25 ]] spacegroup = 194 cell = [[2.5032, 0, 0], [-1.2516, 2.1678347907532, 0], [0, 0, 3.9785]] ========================================= Step Time Energy fmax BFGS: 0 14:50:32 -8.801710 0.6979 BFGS: 1 14:50:32 -8.810148 0.5169 BFGS: 2 14:50:32 -8.819063 0.0910 BFGS: 3 14:50:32 -8.819308 0.0659 BFGS: 4 14:50:32 -8.819776 0.0608 BFGS: 5 14:50:32 -8.820012 0.0310 BFGS: 6 14:50:32 -8.820076 0.0106 BFGS: 7 14:50:32 -8.820081 0.0013 BFGS: 8 14:50:32 -8.820081 0.0001 BFGS: 9 14:50:32 -8.820081 0.0000 BFGS: 10 14:50:32 -8.820081 0.0000 BFGS: 11 14:50:32 -8.820081 0.0000 Minimization converged after 11 steps. Maximum force component: 6.697591081489591e-32 eV/Angstrom Maximum stress component: 4.928535191789507e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Co', 'Co'] basis = [[0.33333333 0.66666667 0.25 ] [0.66666666 0.33333334 0.75 ]] cellpar = Cell([[2.512017034618399, 4.201027508912027e-19, -2.0529741751503403e-36], [-1.2560085173091995, 2.1754705667187877, -4.1837914188173665e-36], [-2.113524248082368e-37, -1.395860848313871e-35, 4.075298570176088]]) forces = [[ 5.72930601e-49 1.78764967e-32 6.69759108e-32] [-4.12840007e-32 1.78764967e-32 -6.69759108e-32]] stress = [-3.57961821e-11 -3.57961821e-11 -4.92853519e-11 8.68936085e-34 -1.00336097e-34 -1.31891057e-26] energy per atom = -4.410040307555738 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0