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:
Tersoff_LAMMPS_NordAlbeErhart_2003_GaN__MO_612061685362_004
==== 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 20:00:53       -1.204629        17.293912
BFGS:    1 20:00:53       -3.482165        18.234508
BFGS:    2 20:00:53       -4.747198        10.656303
BFGS:    3 20:00:53       -5.335788         0.833349
BFGS:    4 20:00:53       -5.340423         0.417321
BFGS:    5 20:00:53       -5.341459         0.469107
BFGS:    6 20:00:54       -5.342065         0.801215
BFGS:    7 20:00:54       -5.342201         0.800975
BFGS:    8 20:00:54       -5.327556         2.093775
BFGS:    9 20:00:54       -5.354374         0.215376
BFGS:   10 20:00:54       -5.354644         0.060348
BFGS:   11 20:00:54       -5.354678         0.006834
BFGS:   12 20:00:54       -5.354678         0.000725
BFGS:   13 20:00:54       -5.354678         0.000063
BFGS:   14 20:00:54       -5.354678         0.000002
BFGS:   15 20:00:55       -5.354678         0.000000
BFGS:   16 20:00:55       -5.354678         0.000000
Minimization converged after 16 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.2445946222543038e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ga', 'Ga']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.748874068676016, -1.2330833645572424e-34, -1.2839536169346407e-33], [-1.3094099244682068e-34, 2.7488740686760145, 3.0210225575444687e-17], [-2.3654955928478694e-33, 4.5499661306675045e-17, 4.123588066844732]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-7.89102394e-11 -7.89102394e-11 -1.24459462e-10  2.13631747e-27
 -8.69922028e-33  9.65807465e-49]
energy per atom =  -2.6773390776404757
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0