element(s):
['As']
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:
['3.7069', '3.081119', '1.2628072', '0.89382466', '0.06854721']
model name:
Tersoff_LAMMPS_AlbeNordlundNord_2002_GaAs__MO_799020228312_004
==== Building ASE atoms object with: ====
representative atom symbols =  ['As']
representative atom coordinates =  [[0.         0.89382466 0.06854721]]
spacegroup =  64
cell =  [[3.7069, 0, 0], [0, 11.4214, 0], [0, 0, 4.6811]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 12:49:43      -21.736284         1.351578
BFGS:    1 12:49:43      -21.805298         1.221724
BFGS:    2 12:49:43      -21.948050         1.149461
BFGS:    3 12:49:43      -22.051104         1.035209
BFGS:    4 12:49:43      -22.127900         0.888222
BFGS:    5 12:49:43      -22.189451         0.717175
BFGS:    6 12:49:43      -22.243324         0.534124
BFGS:    7 12:49:43      -22.293963         0.559906
BFGS:    8 12:49:43      -22.342879         0.548880
BFGS:    9 12:49:44      -22.391002         0.557201
BFGS:   10 12:49:44      -22.437874         0.629765
BFGS:   11 12:49:44      -22.482833         0.715784
BFGS:   12 12:49:44      -22.525835         0.880157
BFGS:   13 12:49:44      -22.567373         1.027782
BFGS:   14 12:49:44      -22.605194         1.182801
BFGS:   15 12:49:44      -22.644101         1.305877
BFGS:   16 12:49:44      -22.683679         1.399816
BFGS:   17 12:49:44      -22.723743         1.468340
BFGS:   18 12:49:44      -22.764255         1.515008
BFGS:   19 12:49:45      -22.805228         1.542607
BFGS:   20 12:49:45      -22.846650         1.552900
BFGS:   21 12:49:45      -22.888445         1.546585
BFGS:   22 12:49:45      -22.930459         1.523316
BFGS:   23 12:49:45      -22.972463         1.481727
BFGS:   24 12:49:45      -23.014158         1.419392
BFGS:   25 12:49:45      -23.055186         1.332693
BFGS:   26 12:49:45      -23.095145         1.216505
BFGS:   27 12:49:45      -23.133619         1.063501
BFGS:   28 12:49:45      -23.170248         0.862376
BFGS:   29 12:49:45      -23.204988         0.592063
BFGS:   30 12:49:46      -23.235715         0.426621
BFGS:   31 12:49:46      -23.260917         0.353145
BFGS:   32 12:49:46      -23.285047         0.181958
BFGS:   33 12:49:46      -23.295603         0.149227
BFGS:   34 12:49:46      -23.299257         0.036870
BFGS:   35 12:49:46      -23.299629         0.017596
BFGS:   36 12:49:46      -23.299652         0.009898
BFGS:   37 12:49:46      -23.299668         0.004075
BFGS:   38 12:49:46      -23.299670         0.001043
BFGS:   39 12:49:47      -23.299670         0.000201
BFGS:   40 12:49:47      -23.299670         0.000017
BFGS:   41 12:49:47      -23.299670         0.000001
BFGS:   42 12:49:47      -23.299670         0.000000
BFGS:   43 12:49:47      -23.299670         0.000000