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 17:08:46       -1.204629       17.2939
BFGS:    1 17:08:46       -3.482165       18.2345
BFGS:    2 17:08:46       -4.747195       10.6564
BFGS:    3 17:08:46       -5.335790        0.8333
BFGS:    4 17:08:46       -5.340424        0.4173
BFGS:    5 17:08:46       -5.341459        0.4689
BFGS:    6 17:08:46       -5.342066        0.8029
BFGS:    7 17:08:46       -5.342201        0.8002
BFGS:    8 17:08:46       -5.325214        2.2032
BFGS:    9 17:08:46       -5.354630        0.0656
BFGS:   10 17:08:46       -5.354670        0.0256
BFGS:   11 17:08:46       -5.354678        0.0012
BFGS:   12 17:08:46       -5.354678        0.0000
BFGS:   13 17:08:46       -5.354678        0.0000
BFGS:   14 17:08:46       -5.354678        0.0000
BFGS:   15 17:08:46       -5.354678        0.0000
BFGS:   16 17:08:46       -5.354678        0.0000
BFGS:   17 17:08:46       -5.354678        0.0000
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.
Successfully added property instance for parameter set 0