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 16:18:43       -0.468921         3.063128
BFGS:    1 16:18:43       -0.896253         4.172939
BFGS:    2 16:18:43       -1.540854         4.809284
BFGS:    3 16:18:43       -2.231777         4.375054
BFGS:    4 16:18:43       -2.734367         2.537237
BFGS:    5 16:18:43       -2.857882         0.870755
BFGS:    6 16:18:43       -2.870309         0.217003
BFGS:    7 16:18:43       -2.870775         0.089007
BFGS:    8 16:18:43       -2.870987         0.071327
BFGS:    9 16:18:43       -2.871824         0.149710
BFGS:   10 16:18:43       -2.872794         0.169214
BFGS:   11 16:18:43       -2.873735         0.106305
BFGS:   12 16:18:43       -2.874000         0.029302
BFGS:   13 16:18:43       -2.874015         0.005463
BFGS:   14 16:18:43       -2.874015         0.000907
BFGS:   15 16:18:43       -2.874015         0.000122
BFGS:   16 16:18:43       -2.874015         0.000015
BFGS:   17 16:18:43       -2.874015         0.000000
BFGS:   18 16:18:43       -2.874015         0.000000
Minimization converged after 18 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.0750278947243419e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ga', 'Ga']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.636839767772074, 1.3671010646994584e-34, -3.258028145817993e-33], [2.1962474531850236e-34, 2.6368397677720723, 3.677043653612229e-17], [-9.511733079047939e-35, 5.737736281019936e-17, 3.7290539421432753]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.15263172e-10  1.15263172e-10  2.07502789e-10 -9.44851841e-26
  3.13384897e-34 -1.62024560e-49]
energy per atom =  -1.437007749902444
===============================================
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.