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 16:19:23       -1.758842       18.6559
BFGS:    1 16:19:23       -3.671099       16.6455
BFGS:    2 16:19:23       -5.040563        8.2148
BFGS:    3 16:19:23       -5.336074        1.3516
BFGS:    4 16:19:23       -5.344262        0.6921
BFGS:    5 16:19:23       -5.385197        2.2318
BFGS:    6 16:19:23       -5.428335        2.9939
BFGS:    7 16:19:23       -5.463918        3.1016
BFGS:    8 16:19:23       -5.493915        3.0828
BFGS:    9 16:19:23       -5.512881        2.9325
BFGS:   10 16:19:23       -5.525058        2.7360
BFGS:   11 16:19:23       -5.582160        1.6452
BFGS:   12 16:19:23       -5.601375        1.2176
BFGS:   13 16:19:23       -5.607777        1.1264
BFGS:   14 16:19:23       -5.614536        1.0185
BFGS:   15 16:19:23       -5.624077        0.8501
BFGS:   16 16:19:23       -5.627498        1.0451
BFGS:   17 16:19:23       -5.640085        0.6921
BFGS:   18 16:19:23       -5.643460        0.5717
BFGS:   19 16:19:23       -5.652893        0.4654
BFGS:   20 16:19:23       -5.674878        0.2484
BFGS:   21 16:19:23       -5.678851        0.5956
BFGS:   22 16:19:23       -5.681318        0.1789
BFGS:   23 16:19:23       -5.682241        0.1301
BFGS:   24 16:19:23       -5.680753        0.4199
BFGS:   25 16:19:23       -5.682679        0.0937
BFGS:   26 16:19:23       -5.682771        0.0029
BFGS:   27 16:19:23       -5.682771        0.0019
BFGS:   28 16:19:23       -5.682772        0.0009
BFGS:   29 16:19:23       -5.682772        0.0002
BFGS:   30 16:19:23       -5.682772        0.0000
BFGS:   31 16:19:23       -5.682772        0.0000
BFGS:   32 16:19:23       -5.682772        0.0000
BFGS:   33 16:19:23       -5.682772        0.0000
Minimization converged after 33 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.3086989031006848e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ga', 'Ga']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0. ]]
cellpar =  Cell([[3.143945196619123, -2.1070339432778583e-18, 0.019601840484578033], [-2.328013994459745e-18, 4.446296353735984, 3.368723367977555e-17], [-1.5858332735323846, 1.6765587625091112e-17, 2.213304047554636]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 6.36535372e-11  1.30869890e-10  1.68181918e-11 -4.76795269e-29
 -5.71869169e-13 -8.87045744e-29]
energy per atom =  -2.8413857696925318
===============================================
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.