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 15:49:58      -22.126643         3.387224
BFGS:    1 15:49:58      -22.459028         1.701433
BFGS:    2 15:49:58      -22.575521         0.285880
BFGS:    3 15:49:58      -22.579733         0.273733
BFGS:    4 15:49:58      -22.612055         0.190521
BFGS:    5 15:49:58      -22.630142         0.159782
BFGS:    6 15:49:58      -22.634780         0.163429
BFGS:    7 15:49:58      -22.635738         0.160637
BFGS:    8 15:49:58      -22.644961         0.110959
BFGS:    9 15:49:58      -22.649326         0.094691
BFGS:   10 15:49:58      -22.651353         0.092560
BFGS:   11 15:49:58      -22.654257         0.073853
BFGS:   12 15:49:58      -22.655890         0.081020
BFGS:   13 15:49:58      -22.657090         0.097369
BFGS:   14 15:49:58      -22.658053         0.101597
BFGS:   15 15:49:58      -22.659486         0.090143
BFGS:   16 15:49:58      -22.660957         0.056624
BFGS:   17 15:49:58      -22.661731         0.020367
BFGS:   18 15:49:58      -22.661870         0.016013
BFGS:   19 15:49:58      -22.661885         0.014997
BFGS:   20 15:49:58      -22.661895         0.014049
BFGS:   21 15:49:58      -22.661923         0.011426
BFGS:   22 15:49:58      -22.661969         0.007089
BFGS:   23 15:49:58      -22.662025         0.006370
BFGS:   24 15:49:58      -22.662054         0.002973
BFGS:   25 15:49:58      -22.662060         0.000570
BFGS:   26 15:49:58      -22.662060         0.000084
BFGS:   27 15:49:58      -22.662060         0.000004
BFGS:   28 15:49:58      -22.662060         0.000000
BFGS:   29 15:49:58      -22.662060         0.000000
BFGS:   30 15:49:58      -22.662060         0.000000
Minimization converged after 30 steps.
Maximum force component: 7.350243662850033e-09 eV/Angstrom
Maximum stress component: 1.391672764805443e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ga', 'Ga', 'Ga', 'Ga', 'Ga', 'Ga', 'Ga', 'Ga']
basis =  [[2.09858848e-33 8.38668723e-01 8.98451567e-02]
 [0.00000000e+00 6.61331277e-01 5.89845157e-01]
 [3.26899403e-33 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, 1.3951611002495532e-36, 0.0], [-6.073717466986375e-36, 7.403749906784647, 0.0], [0.0, 0.0, 4.702833608186451]])
forces =  [[-6.02982325e-45  7.35024366e-09  3.45597391e-09]
 [ 6.02982325e-45 -7.35024366e-09  3.45597391e-09]
 [ 1.08748006e-31  7.35024366e-09 -3.45597391e-09]
 [-1.08748006e-31 -7.35024366e-09 -3.45597391e-09]
 [-6.02982325e-45  7.35024366e-09  3.45597391e-09]
 [ 6.79675037e-33 -7.35024366e-09  3.45597391e-09]
 [ 1.08748006e-31  7.35024366e-09 -3.45597391e-09]
 [-1.08748006e-31 -7.35024366e-09 -3.45597391e-09]]
stress =  [-5.89980622e-11  1.39167276e-10 -1.48447923e-12  0.00000000e+00
  0.00000000e+00  3.01917203e-33]
energy per atom =  -2.8327575272987993
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0