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 16:18:43       -1.204629        17.293934
BFGS:    1 16:18:43       -3.482165        18.234528
BFGS:    2 16:18:43       -4.747195        10.656383
BFGS:    3 16:18:43       -5.335790         0.833257
BFGS:    4 16:18:43       -5.340424         0.417283
BFGS:    5 16:18:43       -5.341459         0.468932
BFGS:    6 16:18:43       -5.342066         0.802930
BFGS:    7 16:18:43       -5.342201         0.800201
BFGS:    8 16:18:43       -5.325214         2.203153
BFGS:    9 16:18:43       -5.354630         0.065616
BFGS:   10 16:18:43       -5.354670         0.025570
BFGS:   11 16:18:43       -5.354678         0.001155
BFGS:   12 16:18:43       -5.354678         0.000010
BFGS:   13 16:18:43       -5.354678         0.000002
BFGS:   14 16:18:43       -5.354678         0.000000
BFGS:   15 16:18:44       -5.354678         0.000000
BFGS:   16 16:18:44       -5.354678         0.000000
BFGS:   17 16:18:44       -5.354678         0.000000
Minimization converged after 17 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.0820468531758953e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ga', 'Ga']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.7488716418228254, 2.063104695851247e-34, -2.6960872751095047e-32], [1.6600294814976295e-34, 2.7488716418228263, 1.6834946028475687e-17], [-4.518991029160357e-33, 2.5336464325811855e-17, 4.123593043648407]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.69361963e-10  1.69361963e-10  2.08204685e-10  1.51250950e-25
 -3.27849290e-43 -2.15914699e-58]
energy per atom =  -2.6773390942408586
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0