element(s):
['Co']
AFLOW prototype label:
A_tI2_139_a
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:
['2.9317', '0.99628202']
model name:
Sim_LAMMPS_HybridOverlay_BelandLuOsetskiy_2016_CoNi__SM_445377835613_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Co']
representative atom coordinates =  [[0 0 0]]
spacegroup =  139
cell =  [[2.9317, 0, 0], [0, 2.9317, 0], [0, 0, 2.9208]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:17:28       -8.497599        1.2189
BFGS:    1 15:17:28       -8.555285        1.0043
BFGS:    2 15:17:28       -8.648196        0.2158
BFGS:    3 15:17:28       -8.650576        0.0720
BFGS:    4 15:17:28       -8.651354        0.1534
BFGS:    5 15:17:28       -8.649808        0.1627
BFGS:    6 15:17:28       -8.650939        0.0776
BFGS:    7 15:17:28       -8.651211        0.1610
BFGS:    8 15:17:28       -8.651190        0.0510
BFGS:    9 15:17:28       -8.651271        0.0383
BFGS:   10 15:17:28       -8.651224        0.1846
BFGS:   11 15:17:28       -8.651306        0.0312
BFGS:   12 15:17:28       -8.651325        0.0258
BFGS:   13 15:17:28       -8.651341        0.1749
BFGS:   14 15:17:28       -8.651335        0.0177
BFGS:   15 15:17:28       -8.651339        0.0127
BFGS:   16 15:17:28       -8.651352        0.0328
BFGS:   17 15:17:28       -8.651311        0.2018
BFGS:   18 15:17:28       -8.651361        0.0559
BFGS:   19 15:17:28       -8.651378        0.0555
BFGS:   20 15:17:28       -8.648784        0.1785
BFGS:   21 15:17:28       -8.651083        0.0357
BFGS:   22 15:17:28       -8.651047        0.2280
BFGS:   23 15:17:28       -8.651147        0.0201
BFGS:   24 15:17:28       -8.651159        0.0330
BFGS:   25 15:17:28       -8.651163        0.0075
BFGS:   26 15:17:28       -8.645659        0.2913
BFGS:   27 15:17:28       -8.651178        0.1699
BFGS:   28 15:17:28       -8.651209        0.3799
BFGS:   29 15:17:28       -8.651533        0.2831
BFGS:   30 15:17:29       -8.651318        0.2783
BFGS:   31 15:17:29       -8.651592        0.3309
BFGS:   32 15:17:29       -8.651490        0.0742
BFGS:   33 15:17:29       -8.651520        0.1385
BFGS:   34 15:17:29       -8.651619        0.1331
BFGS:   35 15:17:29       -8.651361        0.4891
BFGS:   36 15:17:29       -8.651628        0.0750
BFGS:   37 15:17:29       -8.651632        0.0302
BFGS:   38 15:17:29       -8.651632        0.0077
BFGS:   39 15:17:29       -8.651632        0.0005
BFGS:   40 15:17:29       -8.651632        0.0000
BFGS:   41 15:17:29       -8.651632        0.0000
BFGS:   42 15:17:29       -8.651632        0.0000
Minimization converged after 42 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 6.23438745218258e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Co', 'Co']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.8168833690795503, 1.6079969772819698e-34, 5.127643927671333e-33], [1.5276795292555694e-33, 2.8168833690795507, 1.4810276726294804e-17], [-1.015666328393952e-32, 1.530256162285097e-17, 2.816883369080432]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-6.23438745e-11 -6.23438745e-11 -1.59306839e-11  1.60134165e-26
  3.26213570e-32 -6.67350746e-48]
energy per atom =  -4.308679941390234
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is A_tI2_139_a, while relaxed is A_cI2_229_a. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.