element(s): ['Co', 'Fe'] AFLOW prototype label: AB15_cP16_221_a_bcdg Parameter names: ['a', 'x5'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['5.9305', '0.24462472'] model name: MEAM_LAMMPS_ChoiJoSohn_2018_CoNiCrFeMn__MO_115454747503_002 ==== Building ASE atoms object with: ==== representative atom symbols = ['Co', 'Fe', 'Fe', 'Fe', 'Fe'] representative atom coordinates = [[0. 0. 0. ] [0.5 0.5 0.5 ] [0. 0.5 0.5 ] [0.5 0. 0. ] [0.24462472 0.24462472 0.24462472]] spacegroup = 221 cell = [[5.9305, 0, 0], [0, 5.9305, 0], [0, 0, 5.9305]] ========================================= Step Time Energy fmax BFGS: 0 16:07:19 -67.897288 1.170192 BFGS: 1 16:07:19 -67.965067 1.146299 BFGS: 2 16:07:20 -68.152793 1.070273 BFGS: 3 16:07:20 -68.319740 0.988154 BFGS: 4 16:07:20 -68.466553 0.900158 BFGS: 5 16:07:20 -68.593947 0.806489 BFGS: 6 16:07:20 -68.702712 0.707341 BFGS: 7 16:07:20 -68.793709 0.602891 BFGS: 8 16:07:20 -68.867874 0.493299 BFGS: 9 16:07:20 -68.926230 0.378692 BFGS: 10 16:07:20 -68.969908 0.278654 BFGS: 11 16:07:20 -69.000223 0.273410 BFGS: 12 16:07:20 -69.018915 0.222762 BFGS: 13 16:07:20 -69.026837 0.153233 BFGS: 14 16:07:20 -69.034209 0.039681 BFGS: 15 16:07:20 -69.035494 0.013171 BFGS: 16 16:07:21 -69.035592 0.001115 BFGS: 17 16:07:21 -69.035593 0.000114 BFGS: 18 16:07:21 -69.035593 0.000003 BFGS: 19 16:07:21 -69.035593 0.000000 BFGS: 20 16:07:21 -69.035593 0.000000 Minimization converged after 20 steps. Maximum force component: 2.1849970510709929e-10 eV/Angstrom Maximum stress component: 3.061904276695233e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Co', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe'] basis = [[0.00000000e+00 0.00000000e+00 0.00000000e+00] [5.00000000e-01 5.00000000e-01 5.00000000e-01] [0.00000000e+00 5.00000000e-01 5.00000000e-01] [5.00000000e-01 0.00000000e+00 5.00000000e-01] [5.00000000e-01 5.00000000e-01 0.00000000e+00] [5.00000000e-01 1.19604709e-48 4.78418836e-49] [0.00000000e+00 5.00000000e-01 0.00000000e+00] [0.00000000e+00 0.00000000e+00 5.00000000e-01] [2.49198859e-01 2.49198859e-01 2.49198859e-01] [7.50801141e-01 7.50801141e-01 2.49198859e-01] [7.50801141e-01 2.49198859e-01 7.50801141e-01] [2.49198859e-01 7.50801141e-01 7.50801141e-01] [2.49198859e-01 2.49198859e-01 7.50801141e-01] [7.50801141e-01 7.50801141e-01 7.50801141e-01] [2.49198859e-01 7.50801141e-01 2.49198859e-01] [7.50801141e-01 2.49198859e-01 2.49198859e-01]] cellpar = Cell([[5.720742698875147, 2.1599518750585766e-32, 4.5789402809100077e-32], [-7.845517694957034e-33, 5.720742698875147, -2.563648002709996e-17], [-4.6894984230836143e-32, -2.5636480027099897e-17, 5.720742698875147]]) forces = [[ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [-2.18499705e-10 -2.18499705e-10 -2.18499705e-10] [ 2.18499705e-10 2.18499705e-10 -2.18499705e-10] [ 2.18499705e-10 -2.18499705e-10 2.18499705e-10] [-2.18499705e-10 2.18499705e-10 2.18499705e-10] [-2.18499705e-10 -2.18499705e-10 2.18499705e-10] [ 2.18499705e-10 2.18499705e-10 2.18499705e-10] [-2.18499705e-10 2.18499705e-10 -2.18499705e-10] [ 2.18499705e-10 -2.18499705e-10 -2.18499705e-10]] stress = [ 3.06190428e-11 3.06190428e-11 3.06190428e-11 -1.00618953e-27 1.74173557e-58 -4.58041360e-60] energy per atom = -4.31472456054921 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0