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:
SW_BereSerra_2006_GaN__MO_861114678890_001
==== 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 19:10:49      -34.722100         0.136999
BFGS:    1 19:10:49      -34.722873         0.126237
BFGS:    2 19:10:49      -34.727201         0.000811
BFGS:    3 19:10:49      -34.727201         0.000005
BFGS:    4 19:10:49      -34.727201         0.000000
Minimization converged after 4 steps.
Maximum force component: 3.707798839560012e-31 eV/Angstrom
Maximum stress component: 1.491685488447859e-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([[4.51218568751403, 1.5223859995843558e-33, 1.7316864445289272e-34], [-2.2195778584421026e-33, 4.51218568751403, 2.849762812324336e-21], [-7.711069678140497e-35, 2.84976281232435e-21, 4.51218568751403]])
forces =  [[ 1.82389396e-65 -3.70779884e-32 -2.34173591e-53]
 [-1.85389942e-32 -1.85389942e-32 -1.85389942e-32]
 [ 1.85557605e-65 -3.70779884e-32 -1.85389942e-32]
 [-3.70779884e-32 -2.34173591e-53 -3.70779884e-32]
 [ 2.96623907e-31  3.70779884e-31  2.22467930e-31]
 [ 1.15868714e-33  3.70779884e-31 -3.70779884e-31]
 [ 2.51435109e-31  3.33701896e-31 -5.56169826e-32]
 [ 1.85389942e-31  2.22467930e-31  1.29772959e-31]]
stress =  [ 1.49168549e-11  1.49168549e-11  1.49168549e-11 -4.20680218e-28
 -8.07207650e-34  7.97140536e-51]
energy per atom =  -4.340900088834665
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0