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_PunYamakovMishin_2013_AlCo__MO_678952612413_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 16:35:43      -16.844926        1.5783
BFGS:    1 16:35:43      -16.909465        1.5107
BFGS:    2 16:35:43      -17.032100        1.3642
BFGS:    3 16:35:43      -17.129632        1.2201
BFGS:    4 16:35:43      -17.205092        1.0795
BFGS:    5 16:35:43      -17.262683        0.9389
BFGS:    6 16:35:43      -17.307325        0.7950
BFGS:    7 16:35:43      -17.343909        0.7462
BFGS:    8 16:35:43      -17.376479        0.9025
BFGS:    9 16:35:43      -17.407773        1.0003
BFGS:   10 16:35:43      -17.439429        1.0274
BFGS:   11 16:35:43      -17.472464        0.9678
BFGS:   12 16:35:43      -17.507740        0.7914
BFGS:   13 16:35:43      -17.544161        0.4288
BFGS:   14 16:35:43      -17.560708        0.2007
BFGS:   15 16:35:43      -17.564081        0.0366
BFGS:   16 16:35:43      -17.564178        0.0092
BFGS:   17 16:35:43      -17.564183        0.0079
BFGS:   18 16:35:43      -17.564185        0.0065
BFGS:   19 16:35:43      -17.564189        0.0063
BFGS:   20 16:35:43      -17.564194        0.0046
BFGS:   21 16:35:43      -17.564197        0.0016
BFGS:   22 16:35:43      -17.564197        0.0007
BFGS:   23 16:35:43      -17.564197        0.0005
BFGS:   24 16:35:43      -17.564197        0.0004
BFGS:   25 16:35:43      -17.564197        0.0002
BFGS:   26 16:35:43      -17.564197        0.0002
BFGS:   27 16:35:43      -17.564197        0.0001
BFGS:   28 16:35:43      -17.564197        0.0000
BFGS:   29 16:35:43      -17.564197        0.0000
BFGS:   30 16:35:43      -17.564197        0.0000
BFGS:   31 16:35:43      -17.564197        0.0000
Minimization converged after 31 steps.
Maximum force component: 7.941195587939966e-11 eV/Angstrom
Maximum stress component: 1.1619972244335962e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Co', 'Co', 'Co', 'Co']
basis =  [[7.67010064e-37 3.33333333e-01 2.50000000e-01]
 [0.00000000e+00 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([[2.5186760703326865, 1.5212784688077482e-36, 0.0], [1.6379128626992864e-36, 4.362474922222416, 0.0], [0.0, 0.0, 4.0557388902070315]])
forces =  [[-3.10450795e-32  7.94119559e-11 -3.90553449e-33]
 [ 1.55225397e-32 -7.94119559e-11  0.00000000e+00]
 [ 3.88063493e-33  7.94119559e-11 -4.68664139e-33]
 [-2.98156130e-47 -7.94119559e-11  0.00000000e+00]]
stress =  [-1.16199722e-10  3.06415961e-11 -3.10559740e-11  0.00000000e+00
  0.00000000e+00 -2.80449848e-34]
energy per atom =  -4.391049342001397
===============================================
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.