element(s):
['Ga']
AFLOW prototype label:
A_tI2_139_a
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.9197', '1.4818988']
model name:
Sim_LAMMPS_Polymorphic_BereSerra_2006_GaN__SM_518345582208_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ga']
representative atom coordinates =  [[0 0 0]]
spacegroup =  139
cell =  [[2.9197, 0, 0], [0, 2.9197, 0], [0, 0, 4.3267]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:08:46       -0.468921        3.0631
BFGS:    1 17:08:46       -0.896253        4.1729
BFGS:    2 17:08:46       -1.540854        4.8093
BFGS:    3 17:08:46       -2.231777        4.3751
BFGS:    4 17:08:46       -2.734367        2.5372
BFGS:    5 17:08:46       -2.857882        0.8708
BFGS:    6 17:08:46       -2.870309        0.2170
BFGS:    7 17:08:46       -2.870775        0.0890
BFGS:    8 17:08:46       -2.870987        0.0713
BFGS:    9 17:08:46       -2.871824        0.1497
BFGS:   10 17:08:46       -2.872794        0.1692
BFGS:   11 17:08:46       -2.873735        0.1063
BFGS:   12 17:08:46       -2.874000        0.0293
BFGS:   13 17:08:46       -2.874015        0.0055
BFGS:   14 17:08:46       -2.874015        0.0009
BFGS:   15 17:08:46       -2.874015        0.0001
BFGS:   16 17:08:46       -2.874015        0.0000
BFGS:   17 17:08:46       -2.874015        0.0000
BFGS:   18 17:08:46       -2.874015        0.0000
Minimization converged after 18 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.0750129506341961e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ga', 'Ga']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.636839767772072, -4.965929281183068e-35, -2.7135459334478097e-32], [-4.5740157743427474e-35, 2.6368397677720727, -1.048960016629633e-17], [-1.266110436767892e-32, -1.681221462713624e-17, 3.729053942143276]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.15261617e-10  1.15261617e-10  2.07501295e-10 -5.70961799e-27
 -7.83462244e-34  2.98475106e-50]
energy per atom =  -1.4370077499024443
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is A_tI2_139_a, while relaxed is A_cF4_225_a. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.