element(s):
['Ga', 'N']
AFLOW prototype label:
AB_cF8_216_a_c
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.5262']
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.  ]
 [0.25 0.25 0.25]]
spacegroup =  216
cell =  [[4.5262, 0, 0], [0, 4.5262, 0], [0, 0, 4.5262]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 20:10:50      -35.127377         0.394527
BFGS:    1 20:10:50      -35.133694         0.352843
BFGS:    2 20:10:51      -35.161484         0.049932
BFGS:    3 20:10:51      -35.162158         0.008235
BFGS:    4 20:10:51      -35.162182         0.002319
BFGS:    5 20:10:51      -35.162185         0.000348
BFGS:    6 20:10:52      -35.162185         0.000020
BFGS:    7 20:10:52      -35.162185         0.000000
BFGS:    8 20:10:52      -35.162185         0.000000
Minimization converged after 8 steps.
Maximum force component: 2.9404676775356417e-24 eV/Angstrom
Maximum stress component: 1.4206028378408289e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ga', 'Ga', 'Ga', 'Ga', 'N', 'N', 'N', 'N']
basis =  [[0.   0.   0.  ]
 [0.   0.5  0.5 ]
 [0.5  0.   0.5 ]
 [0.5  0.5  0.  ]
 [0.25 0.25 0.25]
 [0.75 0.75 0.25]
 [0.75 0.25 0.75]
 [0.25 0.75 0.75]]
cellpar =  Cell([[4.490282901619075, 1.1503799364589315e-33, 9.912017572757286e-34], [-1.1437641970351947e-33, 4.490282901619075, -1.160586061704295e-20], [1.7710299528047833e-34, -1.1605860617041811e-20, 4.490282901619075]])
forces =  [[ 3.86903642e-26  3.86903642e-26  3.86903642e-26]
 [-3.86903642e-26 -3.86903642e-26 -3.86903642e-26]
 [-3.86903642e-26 -3.86903642e-26 -3.86903642e-26]
 [-3.86903642e-26 -3.86903642e-26  3.86903642e-26]
 [-3.09522913e-25  2.94046768e-24  1.54761457e-25]
 [-1.84912737e-25 -2.79779696e-24  1.38438959e-24]
 [-2.90177731e-26  2.39880258e-24 -1.62499530e-24]
 [ 4.64284370e-25 -2.92112250e-24 -9.28568740e-25]]
stress =  [ 1.42060284e-11  1.42060284e-11  1.42060284e-11 -3.21550753e-27
  2.23620402e-61  2.64178998e-60]
energy per atom =  -4.395273080460902
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0