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 17:12:11 -8.801710 0.697871 BFGS: 1 17:12:11 -8.810148 0.516906 BFGS: 2 17:12:11 -8.819063 0.090996 BFGS: 3 17:12:11 -8.819308 0.065921 BFGS: 4 17:12:11 -8.819776 0.060763 BFGS: 5 17:12:12 -8.820012 0.031014 BFGS: 6 17:12:12 -8.820076 0.010638 BFGS: 7 17:12:12 -8.820081 0.001349 BFGS: 8 17:12:12 -8.820081 0.000052 BFGS: 9 17:12:12 -8.820081 0.000001 BFGS: 10 17:12:12 -8.820081 0.000000 BFGS: 11 17:12:12 -8.820081 0.000000 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, 3.4213841565871004e-18, -7.65823514102538e-36], [-1.2560085173091995, 2.1754705667187877, 6.2316144726363346e-37], [4.165109359450846e-36, 2.1643055683754324e-36, 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 1.15858145e-33 -2.19070487e-46 -1.37203094e-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