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 14:30:56       -2.920142       13.6911
BFGS:    1 14:30:56       -4.912292       12.8750
BFGS:    2 14:30:56       -6.784065       12.0792
BFGS:    3 14:30:56       -8.538873       11.3198
BFGS:    4 14:30:56      -10.181672       10.5912
BFGS:    5 14:30:56      -11.718301        9.9048
BFGS:    6 14:30:56      -13.155469        9.2653
BFGS:    7 14:30:56      -14.500019        8.6680
BFGS:    8 14:30:56      -15.757039        8.0938
BFGS:    9 14:30:56      -16.927781        7.5118
BFGS:   10 14:30:56      -18.008538        6.8893
BFGS:   11 14:30:56      -18.991583        6.2078
BFGS:   12 14:30:56      -19.868189        5.4733
BFGS:   13 14:30:56      -20.632374        4.7150
BFGS:   14 14:30:56      -21.283460        3.9718
BFGS:   15 14:30:56      -21.826309        3.2761
BFGS:   16 14:30:56      -22.269504        2.6443
BFGS:   17 14:30:56      -22.622805        2.0765
BFGS:   18 14:30:56      -22.895169        1.5631
BFGS:   19 14:30:56      -23.093866        1.0924
BFGS:   20 14:30:56      -23.224526        0.6547
BFGS:   21 14:30:57      -23.291620        0.2441
BFGS:   22 14:30:57      -23.302956        0.0115
BFGS:   23 14:30:57      -23.302982        0.0002
BFGS:   24 14:30:57      -23.302982        0.0000
BFGS:   25 14:30:57      -23.302982        0.0000
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