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 16:19:23       -5.505911        0.4539
BFGS:    1 16:19:23       -5.511411        0.4230
BFGS:    2 16:19:24       -5.539478        0.1704
BFGS:    3 16:19:24       -5.543229        0.2348
BFGS:    4 16:19:24       -5.543995        0.2064
BFGS:    5 16:19:24       -5.547491        0.0811
BFGS:    6 16:19:24       -5.549027        0.0677
BFGS:    7 16:19:24       -5.549527        0.0352
BFGS:    8 16:19:24       -5.549567        0.0242
BFGS:    9 16:19:24       -5.549595        0.0266
BFGS:   10 16:19:24       -5.549665        0.0296
BFGS:   11 16:19:24       -5.549738        0.0239
BFGS:   12 16:19:24       -5.549789        0.0107
BFGS:   13 16:19:24       -5.549801        0.0041
BFGS:   14 16:19:24       -5.549802        0.0032
BFGS:   15 16:19:24       -5.549802        0.0030
BFGS:   16 16:19:24       -5.549803        0.0024
BFGS:   17 16:19:24       -5.549804        0.0015
BFGS:   18 16:19:24       -5.549804        0.0006
BFGS:   19 16:19:24       -5.549804        0.0001
BFGS:   20 16:19:24       -5.549804        0.0000
BFGS:   21 16:19:24       -5.549804        0.0000
BFGS:   22 16:19:24       -5.549804        0.0000
BFGS:   23 16:19:24       -5.549804        0.0000
Minimization converged after 23 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 8.116284824964759e-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, 3.665145956882579e-20, -0.017625876129291115], [9.887230622876654e-20, 4.290743706121387, -1.7204716882739513e-17], [-2.1365408138106425, -9.53320299069133e-18, 2.1541666888223316]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 6.46326290e-11  3.53998230e-11 -8.11628482e-11 -3.29306325e-32
  9.20351624e-12 -7.34349783e-31]
energy per atom =  -2.774902221319944
===============================================
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.