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 16:24:31      -35.127377         0.394527
BFGS:    1 16:24:31      -35.133694         0.352843
BFGS:    2 16:24:32      -35.161484         0.049932
BFGS:    3 16:24:32      -35.162158         0.008235
BFGS:    4 16:24:33      -35.162182         0.002319
BFGS:    5 16:24:33      -35.162185         0.000348
BFGS:    6 16:24:33      -35.162185         0.000020
BFGS:    7 16:24:34      -35.162185         0.000000
BFGS:    8 16:24:34      -35.162185         0.000000
Minimization converged after 8 steps.
Maximum force component: 1.4992516119022137e-24 eV/Angstrom
Maximum stress component: 9.98353374461756e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ga', 'Ga', 'Ga', 'Ga', 'N', 'N', 'N', 'N']
basis =  [[2.56651940e-34 1.28395330e-34 2.56790659e-34]
 [1.28453410e-34 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 2.54665670e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.31353872e-34]
 [2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]]
cellpar =  Cell([[4.490282901621523, -3.5458960048934955e-33, 6.285730870485926e-33], [2.630685821986266e-33, 4.490282901621523, -1.3112969048290942e-19], [-5.7535703766502916e-33, -1.3112969048290658e-19, 4.490282901621523]])
forces =  [[-7.23555150e-26 -7.73807284e-26 -3.86903642e-26]
 [-7.76829968e-26 -7.75318626e-26 -7.75318626e-26]
 [-7.73807284e-26 -7.73807284e-26 -3.86903642e-26]
 [-7.73807284e-26 -7.73807284e-26 -7.73807284e-26]
 [ 4.83629552e-26 -1.35416275e-24 -4.64284370e-25]
 [ 1.16071093e-25  1.39285311e-24  5.02974734e-25]
 [ 9.67259104e-26 -1.49925161e-24 -4.83629552e-26]
 [ 2.22469594e-25  1.23809165e-24  9.67259104e-26]]
stress =  [ 9.98353374e-12  9.98353374e-12  9.98353374e-12 -1.29944568e-27
 -1.70939212e-27  3.18776594e-44]
energy per atom =  -4.395273080455652
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0