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_000
==== 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 09:47:32       -8.497599         1.218909
BFGS:    1 09:47:32       -8.555285         1.004343
BFGS:    2 09:47:32       -8.648196         0.215826
BFGS:    3 09:47:32       -8.650576         0.071978
BFGS:    4 09:47:32       -8.651354         0.153436
BFGS:    5 09:47:32       -8.649808         0.162655
BFGS:    6 09:47:32       -8.650939         0.077597
BFGS:    7 09:47:32       -8.651211         0.160995
BFGS:    8 09:47:32       -8.651190         0.050979
BFGS:    9 09:47:32       -8.651271         0.038251
BFGS:   10 09:47:32       -8.651224         0.184637
BFGS:   11 09:47:32       -8.651306         0.031241
BFGS:   12 09:47:32       -8.651325         0.025819
BFGS:   13 09:47:32       -8.651341         0.174851
BFGS:   14 09:47:32       -8.651335         0.017724
BFGS:   15 09:47:32       -8.651339         0.012665
BFGS:   16 09:47:32       -8.651352         0.032795
BFGS:   17 09:47:32       -8.651311         0.201757
BFGS:   18 09:47:32       -8.651361         0.055925
BFGS:   19 09:47:32       -8.651378         0.055506
BFGS:   20 09:47:32       -8.648784         0.178519
BFGS:   21 09:47:32       -8.651083         0.035669
BFGS:   22 09:47:32       -8.651047         0.227963
BFGS:   23 09:47:32       -8.651147         0.020091
BFGS:   24 09:47:32       -8.651159         0.033006
BFGS:   25 09:47:32       -8.651163         0.007530
BFGS:   26 09:47:32       -8.645659         0.291319
BFGS:   27 09:47:32       -8.651178         0.169908
BFGS:   28 09:47:32       -8.651209         0.379919
BFGS:   29 09:47:32       -8.651533         0.283127
BFGS:   30 09:47:32       -8.651318         0.278324
BFGS:   31 09:47:32       -8.651592         0.330903
BFGS:   32 09:47:32       -8.651490         0.074184
BFGS:   33 09:47:32       -8.651520         0.138456
BFGS:   34 09:47:32       -8.651619         0.133139
BFGS:   35 09:47:32       -8.651361         0.489136
BFGS:   36 09:47:32       -8.651628         0.075017
BFGS:   37 09:47:32       -8.651632         0.030247
BFGS:   38 09:47:33       -8.651632         0.007697
BFGS:   39 09:47:33       -8.651632         0.000451
BFGS:   40 09:47:33       -8.651632         0.000006
BFGS:   41 09:47:33       -8.651632         0.000000
BFGS:   42 09:47:33       -8.651632         0.000000
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.