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:
SW_BereSerra_2006_GaN__MO_861114678890_001
==== 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 09:47:52       -0.468921         3.063128
BFGS:    1 09:47:52       -0.896253         4.172940
BFGS:    2 09:47:52       -1.540854         4.809284
BFGS:    3 09:47:52       -2.231777         4.375055
BFGS:    4 09:47:52       -2.734367         2.537237
BFGS:    5 09:47:52       -2.857882         0.870760
BFGS:    6 09:47:52       -2.870309         0.217006
BFGS:    7 09:47:52       -2.870775         0.089004
BFGS:    8 09:47:52       -2.870987         0.071321
BFGS:    9 09:47:52       -2.871824         0.149729
BFGS:   10 09:47:52       -2.872794         0.169210
BFGS:   11 09:47:52       -2.873735         0.106280
BFGS:   12 09:47:52       -2.874000         0.029283
BFGS:   13 09:47:52       -2.874015         0.005455
BFGS:   14 09:47:52       -2.874015         0.000909
BFGS:   15 09:47:52       -2.874015         0.000123
BFGS:   16 09:47:52       -2.874015         0.000015
BFGS:   17 09:47:52       -2.874015         0.000000
BFGS:   18 09:47:52       -2.874015         0.000000
Minimization converged after 18 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.2054440789682957e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ga', 'Ga']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.6368395714567185, -5.645365412477211e-35, -6.019513665065698e-32], [-8.420618177127338e-35, 2.6368395714567194, -4.372566513127632e-16], [-1.356775915577111e-32, -6.86680403311818e-16, 3.7290542868221492]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.23213123e-10  1.23213123e-10  2.20544408e-10 -5.31480740e-26
  2.50707913e-33 -7.67488071e-49]
energy per atom =  -1.43700774971663
===============================================
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.