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 09:41:35      -16.000893         6.546251
BFGS:    1 09:41:35      -16.996054         6.884741
BFGS:    2 09:41:35      -18.041451         7.169049
BFGS:    3 09:41:35      -19.135607         7.449968
BFGS:    4 09:41:35      -20.251271         7.777792
BFGS:    5 09:41:35      -21.369517         8.055188
BFGS:    6 09:41:35      -22.473617         8.269111
BFGS:    7 09:41:35      -23.535797         8.417582
BFGS:    8 09:41:35      -24.545260         8.471824
BFGS:    9 09:41:35      -25.488157         8.421747
BFGS:   10 09:41:35      -26.348412         8.265682
BFGS:   11 09:41:35      -27.114580         8.012900
BFGS:   12 09:41:35      -27.780188         7.663746
BFGS:   13 09:41:35      -28.346688         7.246307
BFGS:   14 09:41:35      -28.824492         6.806855
BFGS:   15 09:41:35      -29.229763         6.324759
BFGS:   16 09:41:35      -29.580486         5.838822
BFGS:   17 09:41:35      -29.893667         5.338893
BFGS:   18 09:41:36      -30.180693         4.786633
BFGS:   19 09:41:36      -30.444495         4.101352
BFGS:   20 09:41:36      -30.684952         3.335468
BFGS:   21 09:41:36      -30.895915         3.882063
BFGS:   22 09:41:36      -31.066699         4.169321
BFGS:   23 09:41:36      -31.185623         3.986747
BFGS:   24 09:41:37      -31.258742         3.053177
BFGS:   25 09:41:37      -31.347394         1.653429
BFGS:   26 09:41:37      -31.389234         0.549055
BFGS:   27 09:41:37      -31.392333         0.111902
BFGS:   28 09:41:37      -31.392466         0.029141
BFGS:   29 09:41:37      -31.392481         0.008566
BFGS:   30 09:41:37      -31.392483         0.000586
BFGS:   31 09:41:37      -31.392483         0.000038
BFGS:   32 09:41:37      -31.392483         0.000000
BFGS:   33 09:41:37      -31.392483         0.000000
BFGS:   34 09:41:37      -31.392483         0.000000
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