element(s):
['Ga']
AFLOW prototype label:
A_mC2_12_a
Parameter names:
['a', 'b/a', 'c/a', 'beta']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.0582', '1.0145385', '0.73249224', '132.5951']
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 =  12
cell =  [[4.0582, 0, 0], [0, 4.1172, 0], [-2.0118943694303, 0, 2.188294268661]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:26:56       -5.505911         0.453934
BFGS:    1 15:26:56       -5.511411         0.423000
BFGS:    2 15:26:56       -5.539478         0.170405
BFGS:    3 15:26:56       -5.543229         0.234781
BFGS:    4 15:26:56       -5.543995         0.206424
BFGS:    5 15:26:57       -5.547491         0.081062
BFGS:    6 15:26:57       -5.549027         0.067679
BFGS:    7 15:26:57       -5.549527         0.035192
BFGS:    8 15:26:57       -5.549567         0.024241
BFGS:    9 15:26:57       -5.549595         0.026563
BFGS:   10 15:26:57       -5.549665         0.029621
BFGS:   11 15:26:57       -5.549738         0.023925
BFGS:   12 15:26:57       -5.549789         0.010653
BFGS:   13 15:26:57       -5.549801         0.004066
BFGS:   14 15:26:57       -5.549802         0.003240
BFGS:   15 15:26:57       -5.549802         0.002969
BFGS:   16 15:26:57       -5.549803         0.002374
BFGS:   17 15:26:58       -5.549804         0.001545
BFGS:   18 15:26:58       -5.549804         0.000588
BFGS:   19 15:26:58       -5.549804         0.000116
BFGS:   20 15:26:58       -5.549804         0.000011
BFGS:   21 15:26:58       -5.549804         0.000001
BFGS:   22 15:26:58       -5.549804         0.000000
BFGS:   23 15:26:58       -5.549804         0.000000
Minimization converged after 23 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 8.116278195337201e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ga', 'Ga']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0. ]]
cellpar =  Cell([[4.290707503926581, -8.17839144921885e-20, -0.01762587612930072], [-4.012973557033656e-20, 4.290743706121386, -1.7428475202266578e-17], [-2.136540813810636, -9.584560508347167e-18, 2.154166688822337]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 6.46326927e-11  3.53997631e-11 -8.11627820e-11  8.06627270e-27
  9.20391463e-12 -9.14421236e-28]
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_mC2_12_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.