element(s):
['Ga']
AFLOW prototype label:
A_oC8_64_f
Parameter names:
['a', 'b/a', 'c/a', 'y1', 'z1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.5397', '1.6992092', '1.0032161', '0.84397269', '0.081681897']
model name:
Tersoff_LAMMPS_NordAlbeErhart_2003_GaN__MO_612061685362_004
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ga']
representative atom coordinates =  [[0.         0.84397269 0.0816819 ]]
spacegroup =  64
cell =  [[4.5397, 0, 0], [0, 7.7139, 0], [0, 0, 4.5543]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 09:41:19      -22.126643         3.387224
BFGS:    1 09:41:19      -22.459028         1.701433
BFGS:    2 09:41:19      -22.575521         0.285880
BFGS:    3 09:41:19      -22.579733         0.273733
BFGS:    4 09:41:19      -22.612055         0.190521
BFGS:    5 09:41:19      -22.630142         0.159782
BFGS:    6 09:41:19      -22.634780         0.163429
BFGS:    7 09:41:19      -22.635738         0.160637
BFGS:    8 09:41:19      -22.644961         0.110959
BFGS:    9 09:41:19      -22.649326         0.094691
BFGS:   10 09:41:19      -22.651353         0.092560
BFGS:   11 09:41:19      -22.654257         0.073853
BFGS:   12 09:41:19      -22.655890         0.081020
BFGS:   13 09:41:19      -22.657090         0.097369
BFGS:   14 09:41:19      -22.658053         0.101597
BFGS:   15 09:41:19      -22.659486         0.090143
BFGS:   16 09:41:19      -22.660957         0.056624
BFGS:   17 09:41:19      -22.661731         0.020367
BFGS:   18 09:41:19      -22.661870         0.016013
BFGS:   19 09:41:19      -22.661885         0.014997
BFGS:   20 09:41:19      -22.661895         0.014049
BFGS:   21 09:41:19      -22.661923         0.011426
BFGS:   22 09:41:19      -22.661969         0.007089
BFGS:   23 09:41:19      -22.662025         0.006370
BFGS:   24 09:41:19      -22.662054         0.002973
BFGS:   25 09:41:19      -22.662060         0.000570
BFGS:   26 09:41:19      -22.662060         0.000084
BFGS:   27 09:41:19      -22.662060         0.000004
BFGS:   28 09:41:19      -22.662060         0.000000
BFGS:   29 09:41:19      -22.662060         0.000000
BFGS:   30 09:41:19      -22.662060         0.000000
Minimization converged after 30 steps.
Maximum force component: 7.350242270734442e-09 eV/Angstrom
Maximum stress component: 1.391670921623487e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ga', 'Ga', 'Ga', 'Ga', 'Ga', 'Ga', 'Ga', 'Ga']
basis =  [[0.00000000e+00 8.38668723e-01 8.98451567e-02]
 [0.00000000e+00 6.61331277e-01 5.89845157e-01]
 [4.57075425e-36 3.38668723e-01 4.10154843e-01]
 [0.00000000e+00 1.61331277e-01 9.10154843e-01]
 [5.00000000e-01 3.38668723e-01 8.98451567e-02]
 [5.00000000e-01 1.61331277e-01 5.89845157e-01]
 [5.00000000e-01 8.38668723e-01 4.10154843e-01]
 [5.00000000e-01 6.61331277e-01 9.10154843e-01]]
cellpar =  Cell([[4.411343196863858, -1.3390885201012404e-36, 0.0], [-1.8221979669202576e-36, 7.403749906784643, 0.0], [0.0, 0.0, 4.7028336081864515]])
forces =  [[-3.05853766e-32  7.35024227e-09  3.45597606e-09]
 [ 1.80902876e-45 -7.35024227e-09  3.45597606e-09]
 [-1.80902876e-45  7.35024227e-09 -3.45597606e-09]
 [-2.37886263e-32 -7.35024227e-09 -3.45597606e-09]
 [-2.71870015e-32  7.35024227e-09  3.45597606e-09]
 [ 1.80902876e-45 -7.35024227e-09  3.45597606e-09]
 [-1.80902876e-45  7.35024227e-09 -3.45597606e-09]
 [-5.43740029e-32 -7.35024227e-09 -3.45597606e-09]]
stress =  [-5.89979953e-11  1.39167092e-10 -1.48425841e-12  0.00000000e+00
  0.00000000e+00 -1.11001564e-46]
energy per atom =  -2.832757527298801
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0