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_NordAlbeErhart_2003_GaN__SM_333071728528_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 20:25:13      -29.755641         0.395302
BFGS:    1 20:25:14      -29.762199         0.379420
BFGS:    2 20:25:14      -29.814961         0.309051
BFGS:    3 20:25:14      -29.839832         0.025897
BFGS:    4 20:25:14      -29.840016         0.000955
BFGS:    5 20:25:14      -29.840016         0.000006
BFGS:    6 20:25:15      -29.840016         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.1911118283305593e-10 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]
 [3.97419945e-50 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 3.97419945e-50 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 0.00000000e+00 5.00000000e-01]]
cellpar =  Cell([[4.304186123444339, 1.953102387070293e-33, -3.023604119797503e-32], [-9.914368162172448e-34, 4.304186123444339, 9.643100000081538e-18], [-1.4293843137621535e-32, 9.643100000081525e-18, 4.304186123444339]])
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 =  [2.19111183e-10 2.19111183e-10 2.19111183e-10 5.12870668e-26
 1.77421851e-33 2.09276491e-49]
energy per atom =  -3.7300019740203307
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0