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 17:18:36       -8.497599         1.218909
BFGS:    1 17:18:36       -8.555285         1.004343
BFGS:    2 17:18:36       -8.648196         0.215826
BFGS:    3 17:18:36       -8.650576         0.071978
BFGS:    4 17:18:36       -8.651354         0.153436
BFGS:    5 17:18:36       -8.649808         0.162655
BFGS:    6 17:18:36       -8.650939         0.077597
BFGS:    7 17:18:36       -8.651211         0.160995
BFGS:    8 17:18:36       -8.651190         0.050979
BFGS:    9 17:18:36       -8.651271         0.038251
BFGS:   10 17:18:36       -8.651224         0.184637
BFGS:   11 17:18:36       -8.651306         0.031241
BFGS:   12 17:18:36       -8.651325         0.025819
BFGS:   13 17:18:36       -8.651341         0.174851
BFGS:   14 17:18:36       -8.651335         0.017724
BFGS:   15 17:18:36       -8.651339         0.012665
BFGS:   16 17:18:37       -8.651352         0.032795
BFGS:   17 17:18:37       -8.651311         0.201757
BFGS:   18 17:18:37       -8.651361         0.055925
BFGS:   19 17:18:37       -8.651378         0.055506
BFGS:   20 17:18:37       -8.648784         0.178519
BFGS:   21 17:18:37       -8.651083         0.035669
BFGS:   22 17:18:37       -8.651047         0.227963
BFGS:   23 17:18:37       -8.651147         0.020091
BFGS:   24 17:18:37       -8.651159         0.033006
BFGS:   25 17:18:37       -8.651163         0.007530
BFGS:   26 17:18:37       -8.645659         0.291319
BFGS:   27 17:18:37       -8.651178         0.169908
BFGS:   28 17:18:37       -8.651209         0.379918
BFGS:   29 17:18:37       -8.651533         0.283166
BFGS:   30 17:18:37       -8.651318         0.278249
BFGS:   31 17:18:37       -8.651592         0.332057
BFGS:   32 17:18:37       -8.651492         0.077065
BFGS:   33 17:18:37       -8.651522         0.142605
BFGS:   34 17:18:37       -8.651621         0.125562
BFGS:   35 17:18:37       -8.651499         0.434109
BFGS:   36 17:18:37       -8.651630         0.056428
BFGS:   37 17:18:37       -8.651632         0.021213
BFGS:   38 17:18:37       -8.651632         0.010653
BFGS:   39 17:18:37       -8.651632         0.009440
BFGS:   40 17:18:37       -8.651632         0.004765
BFGS:   41 17:18:37       -8.651632         0.003824
BFGS:   42 17:18:37       -8.651632         0.001153
BFGS:   43 17:18:37       -8.651632         0.000149
BFGS:   44 17:18:37       -8.651632         0.000013
BFGS:   45 17:18:37       -8.651632         0.000002
BFGS:   46 17:18:37       -8.651632         0.000000
BFGS:   47 17:18:37       -8.651632         0.000000
BFGS:   48 17:18:37       -8.651632         0.000000
Minimization converged after 48 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.0371374840977184e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Co', 'Co']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.8168833690829613, 4.0464449171505936e-35, -6.062425734134045e-33], [4.0730529334109747e-35, 2.816883369082963, -7.277026730544109e-18], [-3.8197910131586585e-33, -7.442534177593247e-18, 2.8168833690788064]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 2.03713748e-10  2.03713748e-10 -1.51125475e-11 -6.09082821e-26
  1.24271836e-32  4.92770883e-48]
energy per atom =  -4.308679941390228
===============================================
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.