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 17:00:20       -1.758842        18.655926
BFGS:    1 17:00:21       -3.671099        16.645534
BFGS:    2 17:00:21       -5.040563         8.214792
BFGS:    3 17:00:21       -5.336074         1.351601
BFGS:    4 17:00:21       -5.344262         0.692118
BFGS:    5 17:00:22       -5.385197         2.231791
BFGS:    6 17:00:22       -5.428335         2.993928
BFGS:    7 17:00:22       -5.463918         3.101569
BFGS:    8 17:00:22       -5.493915         3.082771
BFGS:    9 17:00:22       -5.512881         2.932473
BFGS:   10 17:00:23       -5.525058         2.735960
BFGS:   11 17:00:23       -5.582160         1.645207
BFGS:   12 17:00:23       -5.601375         1.217608
BFGS:   13 17:00:23       -5.607777         1.126352
BFGS:   14 17:00:23       -5.614536         1.018492
BFGS:   15 17:00:23       -5.624077         0.850117
BFGS:   16 17:00:23       -5.627498         1.045104
BFGS:   17 17:00:24       -5.640085         0.692085
BFGS:   18 17:00:24       -5.643460         0.571721
BFGS:   19 17:00:24       -5.652893         0.465402
BFGS:   20 17:00:24       -5.674878         0.248390
BFGS:   21 17:00:24       -5.678851         0.595569
BFGS:   22 17:00:24       -5.681318         0.178941
BFGS:   23 17:00:24       -5.682241         0.130081
BFGS:   24 17:00:25       -5.680753         0.419887
BFGS:   25 17:00:25       -5.682679         0.093653
BFGS:   26 17:00:25       -5.682771         0.002875
BFGS:   27 17:00:25       -5.682771         0.001854
BFGS:   28 17:00:25       -5.682772         0.000860
BFGS:   29 17:00:26       -5.682772         0.000178
BFGS:   30 17:00:26       -5.682772         0.000021
BFGS:   31 17:00:26       -5.682772         0.000001
BFGS:   32 17:00:27       -5.682772         0.000000
BFGS:   33 17:00:27       -5.682772         0.000000
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.