element(s):
['Ga']
AFLOW prototype label:
A_oC4_63_c
Parameter names:
['a', 'b/a', 'c/a', 'y1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.7854', '2.9018453', '1.1948374', '0.13408348']
model name:
Tersoff_LAMMPS_AlbeNordlundNord_2002_GaAs__MO_799020228312_004
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ga']
representative atom coordinates =  [[0.         0.13408348 0.25      ]]
spacegroup =  63
cell =  [[2.7854, 0, 0], [0, 8.0828, 0], [0, 0, 3.3281]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:48:17      -10.854687         2.731729
BFGS:    1 15:48:17      -11.136576         0.365104
BFGS:    2 15:48:17      -11.138781         0.350006
BFGS:    3 15:48:17      -11.153400         0.210783
BFGS:    4 15:48:17      -11.159244         0.149543
BFGS:    5 15:48:17      -11.160253         0.160164
BFGS:    6 15:48:17      -11.163639         0.177356
BFGS:    7 15:48:17      -11.165919         0.168238
BFGS:    8 15:48:17      -11.167435         0.142033
BFGS:    9 15:48:17      -11.168362         0.117864
BFGS:   10 15:48:17      -11.169852         0.088615
BFGS:   11 15:48:17      -11.172107         0.082091
BFGS:   12 15:48:17      -11.174350         0.089691
BFGS:   13 15:48:17      -11.175433         0.072696
BFGS:   14 15:48:17      -11.175672         0.055200
BFGS:   15 15:48:17      -11.175746         0.046110
BFGS:   16 15:48:17      -11.175873         0.031009
BFGS:   17 15:48:17      -11.176045         0.020695
BFGS:   18 15:48:17      -11.176184         0.013118
BFGS:   19 15:48:17      -11.176227         0.003903
BFGS:   20 15:48:17      -11.176232         0.000834
BFGS:   21 15:48:17      -11.176232         0.000049
BFGS:   22 15:48:17      -11.176232         0.000003
BFGS:   23 15:48:17      -11.176232         0.000000
BFGS:   24 15:48:17      -11.176232         0.000000
BFGS:   25 15:48:17      -11.176232         0.000000
Minimization converged after 25 steps.
Maximum force component: 2.923257427789317e-09 eV/Angstrom
Maximum stress component: 2.885215362579346e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ga', 'Ga', 'Ga', 'Ga']
basis =  [[0.00000000e+00 1.39418435e-01 2.50000000e-01]
 [7.28895710e-37 8.60581565e-01 7.50000000e-01]
 [5.00000000e-01 6.39418435e-01 2.50000000e-01]
 [5.00000000e-01 3.60581565e-01 7.50000000e-01]]
cellpar =  Cell([[2.7498838820801095, 2.4173436758893236e-36, 0.0], [3.383890042829791e-37, 7.5817704212698045, 0.0], [0.0, 0.0, 3.453485663071299]])
forces =  [[-1.30470605e-46 -2.92325743e-09 -8.51349946e-32]
 [-8.47373394e-33  2.92325743e-09 -8.51349946e-32]
 [-1.30470605e-46 -2.92325743e-09  1.27702492e-31]
 [ 1.30470605e-46  2.92325743e-09 -1.70269989e-31]]
stress =  [-3.78781212e-11 -2.88521536e-10 -1.39371661e-10  0.00000000e+00
  0.00000000e+00  1.18240286e-33]
energy per atom =  -2.794057925753607
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0