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_NordAlbeErhart_2003_GaN__SM_333071728528_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 16:27:44       -1.758842        18.655926
BFGS:    1 16:27:44       -3.671099        16.645534
BFGS:    2 16:27:44       -5.040563         8.214792
BFGS:    3 16:27:45       -5.336074         1.351601
BFGS:    4 16:27:45       -5.344262         0.692118
BFGS:    5 16:27:45       -5.385197         2.231791
BFGS:    6 16:27:45       -5.428335         2.993928
BFGS:    7 16:27:45       -5.463918         3.101569
BFGS:    8 16:27:45       -5.493915         3.082771
BFGS:    9 16:27:45       -5.512881         2.932473
BFGS:   10 16:27:45       -5.525058         2.735960
BFGS:   11 16:27:45       -5.582160         1.645207
BFGS:   12 16:27:45       -5.601375         1.217608
BFGS:   13 16:27:45       -5.607777         1.126352
BFGS:   14 16:27:45       -5.614536         1.018492
BFGS:   15 16:27:46       -5.624077         0.850117
BFGS:   16 16:27:46       -5.627498         1.045104
BFGS:   17 16:27:46       -5.640085         0.692085
BFGS:   18 16:27:46       -5.643460         0.571721
BFGS:   19 16:27:46       -5.652893         0.465402
BFGS:   20 16:27:46       -5.674878         0.248390
BFGS:   21 16:27:46       -5.678851         0.595569
BFGS:   22 16:27:46       -5.681318         0.178941
BFGS:   23 16:27:47       -5.682241         0.130081
BFGS:   24 16:27:47       -5.680753         0.419887
BFGS:   25 16:27:47       -5.682679         0.093653
BFGS:   26 16:27:47       -5.682771         0.002875
BFGS:   27 16:27:47       -5.682771         0.001854
BFGS:   28 16:27:47       -5.682772         0.000860
BFGS:   29 16:27:47       -5.682772         0.000178
BFGS:   30 16:27:47       -5.682772         0.000021
BFGS:   31 16:27:47       -5.682772         0.000001
BFGS:   32 16:27:47       -5.682772         0.000000
BFGS:   33 16:27:47       -5.682772         0.000000
Minimization converged after 33 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.160767347704255e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ga', 'Ga']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0. ]]
cellpar =  Cell([[3.143945196560952, -6.646471830631439e-18, 0.019601840259339545], [-2.66831159552324e-18, 4.446296353772293, -6.351214586762081e-17], [-1.5858332733475717, -2.48243626384479e-17, 2.213304047687169]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 3.50801148e-11  1.16076735e-10  7.97141932e-12 -8.43819050e-28
 -1.01014272e-11  8.99154115e-28]
energy per atom =  -2.8413857695945635
===============================================
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_cI2_229_a. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.