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:
Tersoff_LAMMPS_NordAlbeErhart_2003_GaN__MO_612061685362_004
==== 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 15:26:56       -1.758842        18.655922
BFGS:    1 15:26:56       -3.671099        16.645557
BFGS:    2 15:26:56       -5.040559         8.214842
BFGS:    3 15:26:56       -5.336073         1.351650
BFGS:    4 15:26:56       -5.344262         0.692124
BFGS:    5 15:26:56       -5.385196         2.231673
BFGS:    6 15:26:56       -5.428336         2.993813
BFGS:    7 15:26:56       -5.463920         3.101513
BFGS:    8 15:26:56       -5.493919         3.082717
BFGS:    9 15:26:56       -5.512886         2.932422
BFGS:   10 15:26:56       -5.525061         2.735921
BFGS:   11 15:26:56       -5.582140         1.645716
BFGS:   12 15:26:56       -5.601372         1.217594
BFGS:   13 15:26:56       -5.607775         1.126393
BFGS:   14 15:26:56       -5.614533         1.018599
BFGS:   15 15:26:56       -5.624068         0.850383
BFGS:   16 15:26:56       -5.627502         1.044562
BFGS:   17 15:26:56       -5.640076         0.693060
BFGS:   18 15:26:56       -5.643456         0.571271
BFGS:   19 15:26:56       -5.652831         0.466652
BFGS:   20 15:26:56       -5.674844         0.248376
BFGS:   21 15:26:56       -5.678979         0.585388
BFGS:   22 15:26:56       -5.681327         0.179512
BFGS:   23 15:26:56       -5.682245         0.129842
BFGS:   24 15:26:56       -5.680787         0.418352
BFGS:   25 15:26:56       -5.682678         0.091490
BFGS:   26 15:26:56       -5.682771         0.001985
BFGS:   27 15:26:56       -5.682771         0.001527
BFGS:   28 15:26:56       -5.682771         0.000581
BFGS:   29 15:26:56       -5.682771         0.000148
BFGS:   30 15:26:56       -5.682771         0.000016
BFGS:   31 15:26:56       -5.682771         0.000001
BFGS:   32 15:26:56       -5.682771         0.000000
BFGS:   33 15:26:56       -5.682771         0.000000
Minimization converged after 33 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 8.628133413174462e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ga', 'Ga']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 2.34085698e-18]]
cellpar =  Cell([[3.1439436207929616, -8.505515272939257e-19, 0.01960041366276462], [4.9832149650061166e-18, 4.446294112634836, -3.8843982370398095e-17], [-1.5858313958262988, -1.6707222035479236e-17, 2.2133036471784675]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.43127778e-11  8.62813341e-11 -3.97506689e-11  8.17775549e-29
 -2.06259868e-11  1.52908807e-28]
energy per atom =  -2.841385630355806
===============================================
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.