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:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== 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 16:35:35      -36.380375        9.7562
BFGS:    1 16:35:35      -37.291436        9.6984
BFGS:    2 16:35:35      -38.031718        9.5334
BFGS:    3 16:35:35      -38.666421        9.3235
BFGS:    4 16:35:35      -39.233159        9.0982
BFGS:    5 16:35:35      -39.753166        8.8274
BFGS:    6 16:35:35      -40.238483        8.4543
BFGS:    7 16:35:35      -40.693151        7.9746
BFGS:    8 16:35:35      -41.116095        7.3604
BFGS:    9 16:35:35      -41.502960        6.5743
BFGS:   10 16:35:35      -41.846122        5.5854
BFGS:   11 16:35:35      -42.135553        4.3446
BFGS:   12 16:35:35      -42.358666        2.8309
BFGS:   13 16:35:35      -42.500528        1.0443
BFGS:   14 16:35:36      -42.548385        0.6161
BFGS:   15 16:35:36      -42.555293        0.3210
BFGS:   16 16:35:36      -42.557619        0.0647
BFGS:   17 16:35:36      -42.557677        0.0400
BFGS:   18 16:35:36      -42.557694        0.0130
BFGS:   19 16:35:36      -42.557695        0.0085
BFGS:   20 16:35:36      -42.557697        0.0025
BFGS:   21 16:35:36      -42.557697        0.0009
BFGS:   22 16:35:36      -42.557697        0.0002
BFGS:   23 16:35:36      -42.557697        0.0000
BFGS:   24 16:35:36      -42.557697        0.0000
BFGS:   25 16:35:36      -42.557697        0.0000
BFGS:   26 16:35:36      -42.557697        0.0000
Minimization converged after 26 steps.
Maximum force component: 2.589088541101586e-10 eV/Angstrom
Maximum stress component: 5.942192855788296e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Co', 'Co', 'Co', 'Co']
basis =  [[0.00000000e+00 3.33333333e-01 2.50000000e-01]
 [2.04221251e-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([[2.450853967423791, 4.428699653044609e-36, 0.0], [-1.4289463428793572e-35, 4.245003593538427, 0.0], [0.0, 0.0, 4.002307606299108]])
forces =  [[ 2.41672860e-31  2.58908854e-10  3.94658000e-31]
 [-3.62509290e-31 -2.58908854e-10 -3.94658000e-31]
 [-2.41672860e-31  2.58908854e-10  3.94658000e-31]
 [-2.41672860e-31 -2.58908854e-10 -3.94658000e-31]]
stress =  [-4.86536151e-11  3.42509266e-11  5.94219286e-11  0.00000000e+00
  0.00000000e+00 -5.09661793e-46]
energy per atom =  -10.639424289562125
===============================================
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.