element(s):
['Ga', 'N']
AFLOW prototype label:
AB_cF8_225_a_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.2456']
model name:
Sim_LAMMPS_Polymorphic_ZhouJonesChu_2017_GaInN__SM_887684855692_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ga', 'N']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  225
cell =  [[4.2456, 0, 0], [0, 4.2456, 0], [0, 0, 4.2456]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:40:08       -2.920142        13.691052
BFGS:    1 15:40:08       -4.912292        12.875008
BFGS:    2 15:40:08       -6.784065        12.079199
BFGS:    3 15:40:08       -8.538873        11.319789
BFGS:    4 15:40:08      -10.181672        10.591223
BFGS:    5 15:40:08      -11.718301         9.904780
BFGS:    6 15:40:08      -13.155469         9.265285
BFGS:    7 15:40:08      -14.500019         8.667951
BFGS:    8 15:40:08      -15.757039         8.093847
BFGS:    9 15:40:08      -16.927781         7.511825
BFGS:   10 15:40:08      -18.008538         6.889322
BFGS:   11 15:40:08      -18.991583         6.207798
BFGS:   12 15:40:08      -19.868189         5.473330
BFGS:   13 15:40:08      -20.632374         4.715020
BFGS:   14 15:40:08      -21.283460         3.971761
BFGS:   15 15:40:08      -21.826309         3.276066
BFGS:   16 15:40:08      -22.269504         2.644267
BFGS:   17 15:40:08      -22.622805         2.076467
BFGS:   18 15:40:09      -22.895169         1.563117
BFGS:   19 15:40:09      -23.093866         1.092369
BFGS:   20 15:40:09      -23.224526         0.654675
BFGS:   21 15:40:09      -23.291620         0.244100
BFGS:   22 15:40:09      -23.302956         0.011522
BFGS:   23 15:40:09      -23.302982         0.000213
BFGS:   24 15:40:09      -23.302982         0.000000
BFGS:   25 15:40:09      -23.302982         0.000000
Minimization converged after 25 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.702433600836335e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ga', 'Ga', 'Ga', 'Ga', 'N', 'N', 'N', 'N']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [4.25920288e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 2.83946859e-49 1.41973429e-49]
 [4.96907003e-49 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 0.00000000e+00 5.00000000e-01]]
cellpar =  Cell([[4.8194071873726525, 1.3209014942324742e-32, 4.970587032624058e-33], [3.8515312748764647e-33, 4.8194071873726525, -5.6841226538067154e-18], [-5.7799012498179404e-33, -5.684122653806702e-18, 4.8194071873726525]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.70243360e-13 -2.70243360e-13 -2.70243360e-13 -1.49644107e-31
  1.76893536e-34  9.30795453e-52]
energy per atom =  -2.912872792819616
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0