element(s):
['Ga']
AFLOW prototype label:
A_oC4_63_c
Parameter names:
['a', 'b/a', 'c/a', 'y1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.7854', '2.9018453', '1.1948374', '0.13408348']
model name:
Sim_LAMMPS_Polymorphic_ZhouJonesChu_2017_GaInN__SM_887684855692_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ga']
representative atom coordinates =  [[0.         0.13408348 0.25      ]]
spacegroup =  63
cell =  [[2.7854, 0, 0], [0, 8.0828, 0], [0, 0, 3.3281]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:47:34      -10.491040         1.259990
BFGS:    1 16:47:34      -10.520342         1.125913
BFGS:    2 16:47:35      -10.581574         0.767367
BFGS:    3 16:47:35      -10.616899         0.432412
BFGS:    4 16:47:35      -10.631260         0.371894
BFGS:    5 16:47:35      -10.634361         0.408108
BFGS:    6 16:47:35      -10.644782         0.455600
BFGS:    7 16:47:35      -10.658430         0.430345
BFGS:    8 16:47:36      -10.670418         0.349039
BFGS:    9 16:47:36      -10.680463         0.232913
BFGS:   10 16:47:36      -10.687587         0.197347
BFGS:   11 16:47:36      -10.690176         0.150438
BFGS:   12 16:47:36      -10.690886         0.116670
BFGS:   13 16:47:36      -10.691500         0.076069
BFGS:   14 16:47:36      -10.691985         0.070865
BFGS:   15 16:47:37      -10.692595         0.042122
BFGS:   16 16:47:37      -10.692866         0.022433
BFGS:   17 16:47:37      -10.692945         0.010862
BFGS:   18 16:47:37      -10.692953         0.004530
BFGS:   19 16:47:37      -10.692955         0.001431
BFGS:   20 16:47:38      -10.692956         0.000401
BFGS:   21 16:47:38      -10.692956         0.000055
BFGS:   22 16:47:38      -10.692956         0.000005
BFGS:   23 16:47:38      -10.692956         0.000000
BFGS:   24 16:47:38      -10.692956         0.000000
BFGS:   25 16:47:38      -10.692956         0.000000
Minimization converged after 25 steps.
Maximum force component: 3.857047202460163e-09 eV/Angstrom
Maximum stress component: 8.598415724943629e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ga', 'Ga', 'Ga', 'Ga']
basis =  [[1.88423479e-37 1.32254912e-01 2.50000000e-01]
 [0.00000000e+00 8.67745088e-01 7.50000000e-01]
 [5.00000000e-01 6.32254912e-01 2.50000000e-01]
 [5.00000000e-01 3.67745088e-01 7.50000000e-01]]
cellpar =  Cell([[2.841832388760127, 2.7596531889733746e-36, 0.0], [2.7193372672417794e-36, 8.834049094155501, 0.0], [0.0, 0.0, 3.1435287960815916]])
forces =  [[ 1.18729385e-45  3.85704720e-09 -3.87469839e-32]
 [-1.18729385e-45 -3.85704720e-09  3.87469839e-32]
 [ 1.18729385e-45  3.85704720e-09 -3.87469839e-32]
 [-1.26149969e-45 -3.85704720e-09  3.87469839e-32]]
stress =  [-7.89881810e-11 -1.36077217e-11 -8.59841572e-11  0.00000000e+00
  0.00000000e+00 -1.61627838e-47]
energy per atom =  -2.673238972359748
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0