element(s):
['Br']
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:
['2.8668', '2.5559509']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Br']
representative atom coordinates =  [[0 0 0]]
spacegroup =  139
cell =  [[2.8668, 0, 0], [0, 2.8668, 0], [0, 0, 7.3274]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 09:46:32       -6.710582         7.352451
BFGS:    1 09:46:32       -7.553311         8.172474
BFGS:    2 09:46:32       -8.482399         8.930412
BFGS:    3 09:46:32       -9.493924         9.592526
BFGS:    4 09:46:32      -10.570951         9.830776
BFGS:    5 09:46:32      -11.679264         9.378603
BFGS:    6 09:46:32      -12.767841         7.657401
BFGS:    7 09:46:32      -13.644325         7.552725
BFGS:    8 09:46:32      -14.217736         8.850358
BFGS:    9 09:46:32      -14.711917        10.280673
BFGS:   10 09:46:32      -15.201851        11.918967
BFGS:   11 09:46:32      -15.687573        13.851652
BFGS:   12 09:46:32      -16.405447        15.765659
BFGS:   13 09:46:32      -17.322083        17.795788
BFGS:   14 09:46:32      -18.290793        19.313350
BFGS:   15 09:46:32      -19.342868        22.010492
BFGS:   16 09:46:32      -20.531986        24.834630
BFGS:   17 09:46:32      -21.867348        27.730267
BFGS:   18 09:46:32      -23.347126        30.593923
BFGS:   19 09:46:32      -24.963204        33.072715
BFGS:   20 09:46:32      -26.682187        34.640661
BFGS:   21 09:46:32      -28.441579        34.678287
BFGS:   22 09:46:32      -30.131490        31.740511
BFGS:   23 09:46:33      -31.547264        23.821728
BFGS:   24 09:46:33      -32.357320         8.176890
BFGS:   25 09:46:33      -32.556209         6.657248
BFGS:   26 09:46:33      -32.662676         6.111580
BFGS:   27 09:46:33      -32.725144         5.149482
BFGS:   28 09:46:34      -32.803820         2.104494
BFGS:   29 09:46:34      -32.810395         0.460549
BFGS:   30 09:46:34      -32.810610         0.077297
BFGS:   31 09:46:35      -32.810622         0.007949
BFGS:   32 09:46:35      -32.810623         0.001415
BFGS:   33 09:46:35      -32.810623         0.000162
BFGS:   34 09:46:35      -32.810623         0.000003
BFGS:   35 09:46:35      -32.810623         0.000000
BFGS:   36 09:46:35      -32.810623         0.000000
Minimization converged after 36 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.8773563513750618e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Br', 'Br']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.3338999762008177, 6.58891632705202e-34, -2.735802593342726e-31], [-1.2388864726168032e-33, 2.3338999762008177, 2.3567584405744702e-16], [-3.0587500052752486e-31, 6.324745003961586e-16, 3.3006329995833754]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.87735635e-11 -2.87735635e-11  1.98609248e-11  4.00014139e-27
 -6.34758076e-42 -1.69599509e-57]
energy per atom =  -16.405311579334473
===============================================
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_cF4_225_a. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.