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 15:31:04      -10.489982         1.317557
BFGS:    1 15:31:04      -10.521806         1.174993
BFGS:    2 15:31:04      -10.585392         0.808909
BFGS:    3 15:31:04      -10.622350         0.465514
BFGS:    4 15:31:04      -10.637462         0.329006
BFGS:    5 15:31:05      -10.640313         0.372059
BFGS:    6 15:31:05      -10.647569         0.422081
BFGS:    7 15:31:05      -10.659528         0.421023
BFGS:    8 15:31:05      -10.671114         0.354274
BFGS:    9 15:31:05      -10.680857         0.249172
BFGS:   10 15:31:05      -10.688029         0.154806
BFGS:   11 15:31:05      -10.691119         0.115705
BFGS:   12 15:31:05      -10.691789         0.090302
BFGS:   13 15:31:05      -10.692167         0.065255
BFGS:   14 15:31:05      -10.692358         0.052542
BFGS:   15 15:31:05      -10.692687         0.027927
BFGS:   16 15:31:06      -10.692860         0.024735
BFGS:   17 15:31:06      -10.692934         0.012942
BFGS:   18 15:31:06      -10.692948         0.004510
BFGS:   19 15:31:06      -10.692951         0.001823
BFGS:   20 15:31:06      -10.692951         0.001422
BFGS:   21 15:31:06      -10.692952         0.001405
BFGS:   22 15:31:06      -10.692952         0.001434
BFGS:   23 15:31:06      -10.692952         0.001540
BFGS:   24 15:31:06      -10.692953         0.001728
BFGS:   25 15:31:06      -10.692954         0.001826
BFGS:   26 15:31:06      -10.692955         0.001415
BFGS:   27 15:31:07      -10.692956         0.000586
BFGS:   28 15:31:07      -10.692956         0.000097
BFGS:   29 15:31:07      -10.692956         0.000007
BFGS:   30 15:31:07      -10.692956         0.000001
BFGS:   31 15:31:07      -10.692956         0.000000
BFGS:   32 15:31:07      -10.692956         0.000000
Minimization converged after 32 steps.
Maximum force component: 1.8252211669150823e-09 eV/Angstrom
Maximum stress component: 1.1059856943612216e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ga', 'Ga', 'Ga', 'Ga']
basis =  [[0.         0.88225491 0.25      ]
 [0.5        0.38225491 0.25      ]
 [1.         0.11774509 0.75      ]
 [0.5        0.61774509 0.75      ]]
cellpar =  Cell([[2.8417088484115003, 0.0, -0.026498044939128013], [0.0, 8.834049093944213, 0.0], [-2.8123977004193614, 0.0, 3.1698901855219113]])
forces =  [[-2.64507183e-32  1.82522117e-09 -1.91276895e-32]
 [-2.62700744e-32  1.82522117e-09  2.44960215e-34]
 [ 0.00000000e+00 -1.82522117e-09  0.00000000e+00]
 [-1.73327390e-32 -1.82522117e-09  1.95359566e-32]]
stress =  [-1.10598569e-10  1.42383452e-11 -6.06379655e-11  0.00000000e+00
  1.19561443e-11  0.00000000e+00]
energy per atom =  -2.6732389723597465
===============================================
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.