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:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== 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 16:36:45      -16.000893        6.5463
BFGS:    1 16:36:45      -16.996054        6.8847
BFGS:    2 16:36:45      -18.041451        7.1690
BFGS:    3 16:36:45      -19.135607        7.4500
BFGS:    4 16:36:45      -20.251271        7.7778
BFGS:    5 16:36:45      -21.369517        8.0552
BFGS:    6 16:36:45      -22.473617        8.2691
BFGS:    7 16:36:45      -23.535797        8.4176
BFGS:    8 16:36:46      -24.545260        8.4718
BFGS:    9 16:36:46      -25.488157        8.4217
BFGS:   10 16:36:46      -26.348412        8.2657
BFGS:   11 16:36:46      -27.114580        8.0129
BFGS:   12 16:36:46      -27.780188        7.6637
BFGS:   13 16:36:46      -28.346688        7.2463
BFGS:   14 16:36:46      -28.824492        6.8069
BFGS:   15 16:36:46      -29.229763        6.3248
BFGS:   16 16:36:46      -29.580486        5.8388
BFGS:   17 16:36:46      -29.893667        5.3389
BFGS:   18 16:36:46      -30.180693        4.7866
BFGS:   19 16:36:46      -30.444495        4.1014
BFGS:   20 16:36:46      -30.684952        3.3355
BFGS:   21 16:36:46      -30.895915        3.8821
BFGS:   22 16:36:46      -31.066699        4.1693
BFGS:   23 16:36:46      -31.185623        3.9867
BFGS:   24 16:36:46      -31.258742        3.0532
BFGS:   25 16:36:46      -31.347394        1.6534
BFGS:   26 16:36:46      -31.389234        0.5491
BFGS:   27 16:36:46      -31.392333        0.1119
BFGS:   28 16:36:46      -31.392466        0.0291
BFGS:   29 16:36:46      -31.392481        0.0086
BFGS:   30 16:36:46      -31.392483        0.0006
BFGS:   31 16:36:46      -31.392483        0.0000
BFGS:   32 16:36:46      -31.392483        0.0000
BFGS:   33 16:36:46      -31.392483        0.0000
BFGS:   34 16:36:46      -31.392483        0.0000
Minimization converged after 34 steps.
Maximum force component: 1.8814796687191505e-10 eV/Angstrom
Maximum stress component: 7.629420898188523e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ga', 'Ga', 'Ga', 'Ga']
basis =  [[7.29162360e-37 1.35036108e-01 2.50000000e-01]
 [0.00000000e+00 8.64963892e-01 7.50000000e-01]
 [5.00000000e-01 6.35036108e-01 2.50000000e-01]
 [5.00000000e-01 3.64963892e-01 7.50000000e-01]]
cellpar =  Cell([[2.32853510968705, 2.190207285516468e-35, 0.0], [-1.7782509605701804e-35, 7.506565023624212, 0.0], [0.0, 0.0, 2.359622255499201]])
forces =  [[-4.45708925e-46  1.88147967e-10 -1.16338359e-31]
 [ 4.45708925e-46 -1.88147967e-10  1.16338359e-31]
 [-4.45708925e-46  1.88147967e-10 -2.32676719e-31]
 [-1.43507056e-32 -1.88147967e-10  2.32676719e-31]]
stress =  [ 2.77723067e-11 -7.69950098e-12 -7.62942090e-11  0.00000000e+00
  0.00000000e+00  1.41034841e-33]
energy per atom =  -7.848120761908057
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0