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 09:41:19      -10.491040         1.259990
BFGS:    1 09:41:19      -10.520342         1.125913
BFGS:    2 09:41:19      -10.581574         0.767367
BFGS:    3 09:41:19      -10.616899         0.432412
BFGS:    4 09:41:19      -10.631260         0.371894
BFGS:    5 09:41:19      -10.634361         0.408108
BFGS:    6 09:41:19      -10.644782         0.455600
BFGS:    7 09:41:19      -10.658430         0.430345
BFGS:    8 09:41:19      -10.670418         0.349039
BFGS:    9 09:41:19      -10.680463         0.232913
BFGS:   10 09:41:19      -10.687587         0.197347
BFGS:   11 09:41:19      -10.690176         0.150438
BFGS:   12 09:41:19      -10.690886         0.116670
BFGS:   13 09:41:19      -10.691500         0.076069
BFGS:   14 09:41:19      -10.691985         0.070865
BFGS:   15 09:41:19      -10.692595         0.042122
BFGS:   16 09:41:19      -10.692866         0.022433
BFGS:   17 09:41:20      -10.692945         0.010862
BFGS:   18 09:41:20      -10.692953         0.004530
BFGS:   19 09:41:20      -10.692955         0.001431
BFGS:   20 09:41:20      -10.692956         0.000401
BFGS:   21 09:41:20      -10.692956         0.000055
BFGS:   22 09:41:20      -10.692956         0.000005
BFGS:   23 09:41:20      -10.692956         0.000000
BFGS:   24 09:41:20      -10.692956         0.000000
BFGS:   25 09:41:20      -10.692956         0.000000
Minimization converged after 25 steps.
Maximum force component: 3.857047230215739e-09 eV/Angstrom
Maximum stress component: 8.598418169270602e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ga', 'Ga', 'Ga', 'Ga']
basis =  [[0.         0.13225491 0.25      ]
 [0.         0.86774509 0.75      ]
 [0.5        0.63225491 0.25      ]
 [0.5        0.36774509 0.75      ]]
cellpar =  Cell([[2.841832388760127, -9.35544926300316e-37, 0.0], [-2.9578906047327364e-36, 8.8340490941555, 0.0], [0.0, 0.0, 3.143528796081592]])
forces =  [[ 4.37853608e-33  3.85704723e-09  3.87469839e-32]
 [-4.37853608e-33 -3.85704723e-09 -3.87469839e-32]
 [ 4.37853608e-33  3.85704723e-09  0.00000000e+00]
 [-4.37853608e-33 -3.85704723e-09  0.00000000e+00]]
stress =  [-7.89882848e-11 -1.36081019e-11 -8.59841817e-11  0.00000000e+00
  0.00000000e+00 -3.06861362e-35]
energy per atom =  -2.6732389723597474
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0