element(s):
['Ga']
AFLOW prototype label:
A_mC4_15_e
Parameter names:
['a', 'b/a', 'c/a', 'beta', 'y1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.7913', '2.9000466', '1.53656', '129.558', '0.88421875']
model name:
Sim_LAMMPS_Polymorphic_ZhouJonesChu_2017_GaInN__SM_887684855692_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ga']
representative atom coordinates =  [[0.         0.88421875 0.25      ]]
spacegroup =  15
cell =  [[2.7913, 0, 0], [0, 8.0949, 0], [-2.7314882631561, 0, 3.306734471989]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 16:21:56      -10.489982        1.3176
BFGS:    1 16:21:56      -10.521806        1.1750
BFGS:    2 16:21:56      -10.585392        0.8089
BFGS:    3 16:21:56      -10.622350        0.4655
BFGS:    4 16:21:56      -10.637462        0.3290
BFGS:    5 16:21:57      -10.640313        0.3721
BFGS:    6 16:21:57      -10.647569        0.4221
BFGS:    7 16:21:57      -10.659528        0.4210
BFGS:    8 16:21:57      -10.671114        0.3543
BFGS:    9 16:21:57      -10.680857        0.2492
BFGS:   10 16:21:57      -10.688029        0.1548
BFGS:   11 16:21:57      -10.691119        0.1157
BFGS:   12 16:21:57      -10.691789        0.0903
BFGS:   13 16:21:57      -10.692167        0.0653
BFGS:   14 16:21:57      -10.692358        0.0525
BFGS:   15 16:21:57      -10.692687        0.0279
BFGS:   16 16:21:57      -10.692860        0.0247
BFGS:   17 16:21:57      -10.692934        0.0129
BFGS:   18 16:21:57      -10.692948        0.0045
BFGS:   19 16:21:57      -10.692951        0.0018
BFGS:   20 16:21:57      -10.692951        0.0014
BFGS:   21 16:21:57      -10.692952        0.0014
BFGS:   22 16:21:57      -10.692952        0.0014
BFGS:   23 16:21:57      -10.692952        0.0015
BFGS:   24 16:21:57      -10.692953        0.0017
BFGS:   25 16:21:57      -10.692954        0.0018
BFGS:   26 16:21:57      -10.692955        0.0014
BFGS:   27 16:21:57      -10.692956        0.0006
BFGS:   28 16:21:57      -10.692956        0.0001
BFGS:   29 16:21:57      -10.692956        0.0000
BFGS:   30 16:21:57      -10.692956        0.0000
BFGS:   31 16:21:57      -10.692956        0.0000
BFGS:   32 16:21:57      -10.692956        0.0000
Minimization converged after 32 steps.
Maximum force component: 1.8252190748385694e-09 eV/Angstrom
Maximum stress component: 1.1059830740842183e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ga', 'Ga', 'Ga', 'Ga']
basis =  [[1.17353678e-16 8.82254912e-01 2.50000000e-01]
 [5.00000000e-01 3.82254912e-01 2.50000000e-01]
 [1.00000000e+00 1.17745088e-01 7.50000000e-01]
 [5.00000000e-01 6.17745088e-01 7.50000000e-01]]
cellpar =  Cell([[2.8417088484115016, -1.6709815319572516e-19, -0.026498044939080864], [-4.738752858428956e-19, 8.834049093944214, -8.240994241951708e-18], [-2.812397700419412, -3.0438491158069e-18, 3.169890185521864]])
forces =  [[-9.78735759e-29  1.82521907e-09 -1.70272600e-27]
 [-9.78952418e-29  1.82521907e-09 -1.70270158e-27]
 [ 9.78996653e-29 -1.82521907e-09  1.70270638e-27]
 [ 9.78735759e-29 -1.82521907e-09  1.70272600e-27]]
stress =  [-1.10598307e-10  1.42384332e-11 -6.06381745e-11 -1.02016661e-30
  1.19561921e-11 -1.14179028e-29]
energy per atom =  -2.6732389723597474
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is A_mC4_15_e, while relaxed is A_oC4_63_c. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.