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 16:36:35      -10.491040        1.2600
BFGS:    1 16:36:35      -10.520342        1.1259
BFGS:    2 16:36:35      -10.581574        0.7674
BFGS:    3 16:36:35      -10.616899        0.4324
BFGS:    4 16:36:35      -10.631260        0.3719
BFGS:    5 16:36:35      -10.634361        0.4081
BFGS:    6 16:36:35      -10.644782        0.4556
BFGS:    7 16:36:35      -10.658430        0.4303
BFGS:    8 16:36:35      -10.670418        0.3490
BFGS:    9 16:36:35      -10.680463        0.2329
BFGS:   10 16:36:35      -10.687587        0.1973
BFGS:   11 16:36:35      -10.690176        0.1504
BFGS:   12 16:36:35      -10.690886        0.1167
BFGS:   13 16:36:35      -10.691500        0.0761
BFGS:   14 16:36:35      -10.691985        0.0709
BFGS:   15 16:36:35      -10.692595        0.0421
BFGS:   16 16:36:35      -10.692866        0.0224
BFGS:   17 16:36:35      -10.692945        0.0109
BFGS:   18 16:36:36      -10.692953        0.0045
BFGS:   19 16:36:36      -10.692955        0.0014
BFGS:   20 16:36:36      -10.692956        0.0004
BFGS:   21 16:36:36      -10.692956        0.0001
BFGS:   22 16:36:36      -10.692956        0.0000
BFGS:   23 16:36:36      -10.692956        0.0000
BFGS:   24 16:36:36      -10.692956        0.0000
BFGS:   25 16:36:36      -10.692956        0.0000
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