element(s):
['Ga', 'N']
AFLOW prototype label:
AB_cF8_225_a_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.2456']
model name:
Sim_LAMMPS_Polymorphic_BereSerra_2006_GaN__SM_518345582208_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ga', 'N']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  225
cell =  [[4.2456, 0, 0], [0, 4.2456, 0], [0, 0, 4.2456]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 20:25:12      -28.046281         3.604416
BFGS:    1 20:25:13      -28.523147         2.770294
BFGS:    2 20:25:13      -28.882051         2.029678
BFGS:    3 20:25:13      -29.136120         1.370366
BFGS:    4 20:25:13      -29.296558         0.778976
BFGS:    5 20:25:13      -29.372511         0.241563
BFGS:    6 20:25:13      -29.381084         0.013977
BFGS:    7 20:25:13      -29.381113         0.000238
BFGS:    8 20:25:14      -29.381113         0.000000
BFGS:    9 20:25:14      -29.381113         0.000000
Minimization converged after 9 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.165626075066807e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ga', 'Ga', 'Ga', 'Ga', 'N', 'N', 'N', 'N']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [1.24661526e-48 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 3.50891000e-34]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 7.01782000e-34]
 [1.24661526e-48 3.50891000e-34 5.00000000e-01]]
cellpar =  Cell([[4.39094748762227, 2.730545056229908e-32, -7.182413575744588e-35], [2.8217481171740214e-32, 4.39094748762227, -2.3585990149590426e-17], [-8.520388388011209e-33, -2.3585990149590442e-17, 4.39094748762227]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-4.16562608e-13 -4.16562608e-13 -4.16562608e-13 -1.04425313e-29
  0.00000000e+00  4.93314922e-61]
energy per atom =  -3.6726391234252946
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0