element(s):
['Co']
AFLOW prototype label:
A_oC4_63_c
Parameter names:
['a', 'b/a', 'c/a', 'y1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.4688', '2.0780541', '1.6128483', '0.3625698']
model name:
EAM_Dynamo_ZhouJohnsonWadley_2004_CuAgAuNiPdPtAlPbFeMoTaWMgCoTiZr__MO_870117231765_000
==== Building ASE atoms object with: ====
representative atom symbols = ['Co']
representative atom coordinates = [[0. 0.3625698 0.25 ]]
spacegroup = 63
cell = [[2.4688, 0, 0], [0, 5.1303, 0], [0, 0, 3.9818]]
=========================================
Step Time Energy fmax
BFGS: 0 14:46:38 -16.957564 1.794523
BFGS: 1 14:46:38 -17.030866 1.704780
BFGS: 2 14:46:38 -17.152838 1.529672
BFGS: 3 14:46:38 -17.250136 1.339442
BFGS: 4 14:46:38 -17.324822 1.133354
BFGS: 5 14:46:38 -17.380018 0.915738
BFGS: 6 14:46:38 -17.419967 0.694062
BFGS: 7 14:46:38 -17.449957 0.721381
BFGS: 8 14:46:38 -17.475637 0.851572
BFGS: 9 14:46:38 -17.501455 0.915808
BFGS: 10 14:46:38 -17.529695 0.907200
BFGS: 11 14:46:38 -17.561040 0.815576
BFGS: 12 14:46:38 -17.595245 0.613454
BFGS: 13 14:46:38 -17.624292 0.344253
BFGS: 14 14:46:38 -17.636988 0.157963
BFGS: 15 14:46:38 -17.638536 0.049437
BFGS: 16 14:46:38 -17.638805 0.053182
BFGS: 17 14:46:38 -17.639088 0.048855
BFGS: 18 14:46:38 -17.639600 0.042707
BFGS: 19 14:46:38 -17.640236 0.055089
BFGS: 20 14:46:38 -17.640709 0.037923
BFGS: 21 14:46:38 -17.640855 0.011585
BFGS: 22 14:46:38 -17.640866 0.006711
BFGS: 23 14:46:38 -17.640869 0.006634
BFGS: 24 14:46:38 -17.640873 0.005567
BFGS: 25 14:46:38 -17.640878 0.003344
BFGS: 26 14:46:38 -17.640881 0.001572
BFGS: 27 14:46:38 -17.640881 0.000407
BFGS: 28 14:46:38 -17.640881 0.000033
BFGS: 29 14:46:38 -17.640881 0.000003
BFGS: 30 14:46:38 -17.640881 0.000000
BFGS: 31 14:46:38 -17.640881 0.000000
Minimization converged after 31 steps.
Maximum force component: 1.2853901757068797e-09 eV/Angstrom
Maximum stress component: 1.128364251283549e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols = ['Co', 'Co', 'Co', 'Co']
basis = [[1.20370622e-35 3.33333333e-01 2.50000000e-01]
[1.15389464e-35 6.66666667e-01 7.50000000e-01]
[5.00000000e-01 8.33333333e-01 2.50000000e-01]
[5.00000000e-01 1.66666667e-01 7.50000000e-01]]
cellpar = Cell([[2.5117019426825933, -9.940303757834561e-37, 0.0], [-1.701310899191171e-35, 4.3503953780518465, 0.0], [0.0, 0.0, 4.0754222057777465]])
forces = [[-1.54795583e-32 1.28539018e-09 -1.00466914e-31]
[ 1.54795583e-32 -1.28539018e-09 1.00466914e-31]
[-1.54795583e-32 1.28539018e-09 -2.00933828e-31]
[ 1.54795583e-32 -1.28539018e-09 2.00933828e-31]]
stress = [-2.08557495e-11 1.12836425e-10 -8.66844302e-11 0.00000000e+00
0.00000000e+00 -5.64018869e-34]
energy per atom = -4.4102202697800745
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is A_oC4_63_c, while relaxed is A_hP2_194_c. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.