element(s):
['Ga']
AFLOW prototype label:
A_tI2_139_a
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.9197', '1.4818988']
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 =  139
cell =  [[2.9197, 0, 0], [0, 2.9197, 0], [0, 0, 4.3267]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 20:00:40       -1.204629        17.293934
BFGS:    1 20:00:40       -3.482165        18.234528
BFGS:    2 20:00:41       -4.747195        10.656383
BFGS:    3 20:00:41       -5.335790         0.833257
BFGS:    4 20:00:41       -5.340424         0.417283
BFGS:    5 20:00:42       -5.341459         0.468932
BFGS:    6 20:00:42       -5.342066         0.802930
BFGS:    7 20:00:42       -5.342201         0.800201
BFGS:    8 20:00:43       -5.325214         2.203153
BFGS:    9 20:00:43       -5.354630         0.065615
BFGS:   10 20:00:44       -5.354670         0.025570
BFGS:   11 20:00:44       -5.354678         0.001155
BFGS:   12 20:00:44       -5.354678         0.000010
BFGS:   13 20:00:44       -5.354678         0.000002
BFGS:   14 20:00:45       -5.354678         0.000000
BFGS:   15 20:00:45       -5.354678         0.000000
BFGS:   16 20:00:45       -5.354678         0.000000
BFGS:   17 20:00:45       -5.354678         0.000000
Minimization converged after 17 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.8109513823322845e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ga', 'Ga']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.7488716418452492, -1.5725868596460452e-34, -8.937808653415519e-33], [-2.334809734223031e-34, 2.7488716418452492, -4.032429526193503e-17], [-9.50905988061137e-34, -6.032388099739663e-17, 4.123593043635836]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 2.30793353e-10  2.30793353e-10  2.81095138e-10  2.26856435e-26
 -3.64871626e-26 -4.05257219e-42]
energy per atom =  -2.677339094190221
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.