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 17:00:31       -1.758842        18.655922
BFGS:    1 17:00:31       -3.671099        16.645557
BFGS:    2 17:00:31       -5.040559         8.214842
BFGS:    3 17:00:31       -5.336073         1.351650
BFGS:    4 17:00:31       -5.344262         0.692124
BFGS:    5 17:00:31       -5.385196         2.231673
BFGS:    6 17:00:31       -5.428336         2.993813
BFGS:    7 17:00:32       -5.463920         3.101513
BFGS:    8 17:00:32       -5.493919         3.082717
BFGS:    9 17:00:32       -5.512886         2.932422
BFGS:   10 17:00:32       -5.525061         2.735921
BFGS:   11 17:00:32       -5.582140         1.645716
BFGS:   12 17:00:32       -5.601372         1.217594
BFGS:   13 17:00:32       -5.607775         1.126393
BFGS:   14 17:00:32       -5.614533         1.018599
BFGS:   15 17:00:32       -5.624068         0.850383
BFGS:   16 17:00:32       -5.627502         1.044562
BFGS:   17 17:00:32       -5.640076         0.693060
BFGS:   18 17:00:32       -5.643456         0.571271
BFGS:   19 17:00:33       -5.652831         0.466652
BFGS:   20 17:00:33       -5.674844         0.248376
BFGS:   21 17:00:33       -5.678979         0.585388
BFGS:   22 17:00:33       -5.681327         0.179512
BFGS:   23 17:00:33       -5.682245         0.129842
BFGS:   24 17:00:33       -5.680787         0.418352
BFGS:   25 17:00:33       -5.682678         0.091490
BFGS:   26 17:00:33       -5.682771         0.001985
BFGS:   27 17:00:33       -5.682771         0.001527
BFGS:   28 17:00:33       -5.682771         0.000581
BFGS:   29 17:00:33       -5.682771         0.000148
BFGS:   30 17:00:33       -5.682771         0.000016
BFGS:   31 17:00:33       -5.682771         0.000001
BFGS:   32 17:00:34       -5.682771         0.000000
BFGS:   33 17:00:34       -5.682771         0.000000
Minimization converged after 33 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 8.62813630144965e-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 1.56057132e-18]]
cellpar =  Cell([[3.1439436207929603, 6.563220869651927e-18, 0.019600413662828015], [5.909727474855117e-18, 4.4462941126348365, -1.893486638643711e-19], [-1.585831395826344, -1.947994428442946e-18, 2.2133036471784364]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.43138432e-11  8.62813630e-11 -3.97486939e-11  9.69844151e-29
 -2.06273627e-11  1.81337020e-28]
energy per atom =  -2.8413856303558056
===============================================
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.