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_AlbeNordlundNord_2002_GaAs__MO_799020228312_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 16:27:47       -4.200097        14.122421
BFGS:    1 16:27:47       -5.378504         3.205269
BFGS:    2 16:27:47       -5.429961         0.290793
BFGS:    3 16:27:47       -5.431533         0.271655
BFGS:    4 16:27:47       -5.437502         0.721285
BFGS:    5 16:27:47       -5.455192         1.468540
BFGS:    6 16:27:47       -5.459946         1.537511
BFGS:    7 16:27:47       -5.466065         1.572991
BFGS:    8 16:27:47       -5.493592         1.151961
BFGS:    9 16:27:47       -5.533575         1.052338
BFGS:   10 16:27:47       -5.578773         0.893920
BFGS:   11 16:27:47       -5.619673         0.744059
BFGS:   12 16:27:47       -5.652440         0.557255
BFGS:   13 16:27:47       -5.669480         0.312947
BFGS:   14 16:27:47       -5.675294         0.293571
BFGS:   15 16:27:47       -5.681941         0.214780
BFGS:   16 16:27:47       -5.682789         0.183205
BFGS:   17 16:27:47       -5.683652         0.124816
BFGS:   18 16:27:47       -5.683726         0.121295
BFGS:   19 16:27:47       -5.684080         0.110509
BFGS:   20 16:27:47       -5.684616         0.090270
BFGS:   21 16:27:47       -5.685501         0.052167
BFGS:   22 16:27:47       -5.686147         0.040137
BFGS:   23 16:27:47       -5.686368         0.024859
BFGS:   24 16:27:47       -5.686406         0.022112
BFGS:   25 16:27:47       -5.686419         0.018766
BFGS:   26 16:27:47       -5.686437         0.011960
BFGS:   27 16:27:47       -5.686450         0.006963
BFGS:   28 16:27:47       -5.686454         0.002050
BFGS:   29 16:27:47       -5.686454         0.000276
BFGS:   30 16:27:47       -5.686454         0.000028
BFGS:   31 16:27:47       -5.686454         0.000001
BFGS:   32 16:27:47       -5.686454         0.000000
BFGS:   33 16:27:47       -5.686454         0.000000
Minimization converged after 33 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 6.315098405940462e-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 1.16109388e-18]]
cellpar =  Cell([[3.1693381748186704, -9.580114460446917e-19, -0.0037054896141150246], [-1.8408647472773547e-18, 4.482124092868987, 1.9125721606321675e-17], [-1.5820489103905362, 1.0275932049676498e-17, 2.242913259828703]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 2.48993976e-11 -6.31509841e-11  4.01547355e-11  2.79096440e-29
  3.18858618e-11  5.46911374e-29]
energy per atom =  -2.8432272360773094
===============================================
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.