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_ZhouJonesChu_2017_GaInN__SM_887684855692_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 17:18:37       -5.519010         0.388741
BFGS:    1 17:18:37       -5.523662         0.360619
BFGS:    2 17:18:37       -5.545893         0.132794
BFGS:    3 17:18:37       -5.546340         0.149748
BFGS:    4 17:18:37       -5.547268         0.148251
BFGS:    5 17:18:37       -5.548784         0.103343
BFGS:    6 17:18:37       -5.549619         0.040769
BFGS:    7 17:18:37       -5.549798         0.006707
BFGS:    8 17:18:38       -5.549804         0.000881
BFGS:    9 17:18:38       -5.549804         0.000159
BFGS:   10 17:18:38       -5.549804         0.000015
BFGS:   11 17:18:38       -5.549804         0.000000
BFGS:   12 17:18:38       -5.549804         0.000000
Minimization converged after 12 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.050831762223683e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ga', 'Ga']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.0340139676520006, -3.95709489926652e-35, -7.889931329803599e-33], [-1.38406203258037e-34, 3.0340139676520006, -8.128660563224535e-18], [1.0147214282048398e-32, -1.1471865884380055e-17, 4.290743709017653]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-5.05083176e-10 -5.05083176e-10 -4.98343031e-11  1.22165227e-25
  1.10956216e-35 -8.75457141e-53]
energy per atom =  -2.774902221319945
===============================================
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.