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 17:08:46       -5.519010        0.3887
BFGS:    1 17:08:46       -5.523662        0.3606
BFGS:    2 17:08:46       -5.545893        0.1328
BFGS:    3 17:08:47       -5.546340        0.1497
BFGS:    4 17:08:47       -5.547268        0.1483
BFGS:    5 17:08:47       -5.548784        0.1033
BFGS:    6 17:08:47       -5.549619        0.0408
BFGS:    7 17:08:47       -5.549798        0.0067
BFGS:    8 17:08:47       -5.549804        0.0009
BFGS:    9 17:08:47       -5.549804        0.0002
BFGS:   10 17:08:47       -5.549804        0.0000
BFGS:   11 17:08:47       -5.549804        0.0000
BFGS:   12 17:08:47       -5.549804        0.0000
Minimization converged after 12 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.050831887395729e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ga', 'Ga']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.034013967652, -3.4858933987902774e-35, -2.9474351124886418e-33], [-1.3886138895658934e-34, 3.0340139676519993, -1.0476799016320393e-18], [-2.062198395760134e-33, -1.562183619607563e-18, 4.290743709017656]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-5.05083189e-10 -5.05083189e-10 -4.98340750e-11  7.62779095e-26
  2.36706573e-34 -8.25744097e-50]
energy per atom =  -2.7749022213199455
===============================================
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.