element(s):
['Ga']
AFLOW prototype label:
A_oC8_64_f
Parameter names:
['a', 'b/a', 'c/a', 'y1', 'z1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.5397', '1.6992092', '1.0032161', '0.84397269', '0.081681897']
model name:
Sim_LAMMPS_Polymorphic_NordAlbeErhart_2003_GaN__SM_333071728528_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ga']
representative atom coordinates =  [[0.         0.84397269 0.0816819 ]]
spacegroup =  64
cell =  [[4.5397, 0, 0], [0, 7.7139, 0], [0, 0, 4.5543]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 09:41:20      -22.126643         3.387263
BFGS:    1 09:41:20      -22.459030         1.701439
BFGS:    2 09:41:20      -22.575521         0.285868
BFGS:    3 09:41:20      -22.579733         0.273732
BFGS:    4 09:41:20      -22.612054         0.190382
BFGS:    5 09:41:20      -22.630147         0.159686
BFGS:    6 09:41:20      -22.634775         0.164052
BFGS:    7 09:41:20      -22.635732         0.160089
BFGS:    8 09:41:20      -22.644857         0.111320
BFGS:    9 09:41:20      -22.649052         0.096185
BFGS:   10 09:41:20      -22.651119         0.095495
BFGS:   11 09:41:20      -22.654223         0.077431
BFGS:   12 09:41:20      -22.655965         0.075880
BFGS:   13 09:41:20      -22.657185         0.092119
BFGS:   14 09:41:20      -22.658123         0.097433
BFGS:   15 09:41:20      -22.659472         0.088557
BFGS:   16 09:41:20      -22.660920         0.057880
BFGS:   17 09:41:20      -22.661717         0.022115
BFGS:   18 09:41:20      -22.661873         0.015932
BFGS:   19 09:41:20      -22.661889         0.014822
BFGS:   20 09:41:20      -22.661898         0.013935
BFGS:   21 09:41:20      -22.661926         0.011354
BFGS:   22 09:41:20      -22.661969         0.007194
BFGS:   23 09:41:20      -22.662024         0.006353
BFGS:   24 09:41:21      -22.662054         0.003026
BFGS:   25 09:41:21      -22.662060         0.000580
BFGS:   26 09:41:21      -22.662060         0.000107
BFGS:   27 09:41:21      -22.662060         0.000005
BFGS:   28 09:41:21      -22.662060         0.000001
BFGS:   29 09:41:21      -22.662060         0.000000
BFGS:   30 09:41:21      -22.662060         0.000000
BFGS:   31 09:41:21      -22.662060         0.000000
Minimization converged after 31 steps.
Maximum force component: 1.8533699019940245e-09 eV/Angstrom
Maximum stress component: 3.364902823087911e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ga', 'Ga', 'Ga', 'Ga', 'Ga', 'Ga', 'Ga', 'Ga']
basis =  [[1.92781078e-36 8.38668054e-01 8.98453045e-02]
 [0.00000000e+00 6.61331946e-01 5.89845304e-01]
 [1.10035450e-35 3.38668054e-01 4.10154696e-01]
 [0.00000000e+00 1.61331946e-01 9.10154696e-01]
 [5.00000000e-01 3.38668054e-01 8.98453045e-02]
 [5.00000000e-01 1.61331946e-01 5.89845304e-01]
 [5.00000000e-01 8.38668054e-01 4.10154696e-01]
 [5.00000000e-01 6.61331946e-01 9.10154696e-01]]
cellpar =  Cell([[4.411346955563501, 2.4438358615595265e-35, 0.0], [3.1836571889289886e-36, 7.403777491917265, 0.0], [0.0, 0.0, 4.702822686306935]])
forces =  [[-6.62613470e-46 -1.54094565e-09  1.85336990e-09]
 [ 6.62613470e-46  1.54094565e-09  1.85336990e-09]
 [-6.62613470e-46 -1.54094565e-09 -1.85336990e-09]
 [ 6.62613470e-46  1.54094565e-09 -1.85336990e-09]
 [-6.62613470e-46 -1.54094565e-09  1.85336990e-09]
 [ 6.62613470e-46  1.54094565e-09  1.85336990e-09]
 [-6.62613470e-46 -1.54094565e-09 -1.85336990e-09]
 [ 6.62613470e-46  1.54094565e-09 -1.85336990e-09]]
stress =  [-3.10493237e-11 -3.36490282e-11  2.23983527e-11  0.00000000e+00
  0.00000000e+00  6.33163368e-27]
energy per atom =  -2.8327575020831395
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0