element(s):
['Ga', 'N']
AFLOW prototype label:
AB_hP4_194_c_b
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:
['3.1989', '2.3743162']
model name:
SW_BereSerra_2006_GaN__MO_861114678890_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ga', 'N']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]
 [0.         0.         0.25      ]]
spacegroup =  194
cell =  [[3.1989, 0, 0], [-1.59945, 2.770328664166, 0], [0, 0, 7.5952]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 12:05:46      -11.538341         3.629126
BFGS:    1 12:05:46      -11.862226         2.856905
BFGS:    2 12:05:46      -12.111405         2.134996
BFGS:    3 12:05:46      -12.290829         1.461191
BFGS:    4 12:05:46      -12.405127         0.831892
BFGS:    5 12:05:46      -12.458582         0.243848
BFGS:    6 12:05:46      -12.463852         0.011412
BFGS:    7 12:05:46      -12.463864         0.000167
BFGS:    8 12:05:46      -12.463864         0.000000
BFGS:    9 12:05:46      -12.463864         0.000000
Minimization converged after 9 steps.
Maximum force component: 2.666864976607744e-31 eV/Angstrom
Maximum stress component: 6.625333059056527e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ga', 'Ga', 'N', 'N']
basis =  [[3.33333330e-01 6.66666670e-01 2.50000000e-01]
 [6.66666663e-01 3.33333337e-01 7.50000000e-01]
 [9.99999997e-01 3.33333346e-09 2.50000000e-01]
 [9.99999997e-01 3.33333346e-09 7.50000000e-01]]
cellpar =  Cell([[3.416238809254181, 2.913669327488883e-17, -1.802716300702227e-37], [-1.7081194046270904, 2.958549594208422, -3.7746885596198095e-37], [9.910453757508193e-36, 3.079783274655946e-35, 7.595199999999998]])
forces =  [[ 2.59668432e-31 -6.07782321e-32 -1.88224050e-66]
 [-2.66686498e-31  7.29338785e-32  2.54544438e-69]
 [-2.10541972e-32  3.64669392e-32  1.87349151e-66]
 [ 2.80722629e-32 -4.86225856e-32  6.20355049e-69]]
stress =  [-6.62533306e-14 -6.62533306e-14 -2.80311882e-53 -4.57110445e-35
  8.64494114e-50  6.94506292e-30]
energy per atom =  -3.1159660601953183
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0