element(s):
['S', 'Zn']
AFLOW prototype label:
AB_cF8_216_a_c
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.3719']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['S', 'Zn']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.25 0.25 0.25]]
spacegroup =  216
cell =  [[5.3719, 0, 0], [0, 5.3719, 0], [0, 0, 5.3719]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:25:49      -23.243871         3.207688
BFGS:    1 16:25:49      -23.680236         3.137721
BFGS:    2 16:25:49      -24.143833         3.039542
BFGS:    3 16:25:50      -24.592887         2.942174
BFGS:    4 16:25:50      -25.023203         2.790196
BFGS:    5 16:25:50      -25.428295         2.605178
BFGS:    6 16:25:51      -25.802888         2.382779
BFGS:    7 16:25:51      -26.141017         2.118123
BFGS:    8 16:25:51      -26.435940         1.805740
BFGS:    9 16:25:51      -26.680046         1.439486
BFGS:   10 16:25:52      -26.864748         1.012459
BFGS:   11 16:25:52      -26.980413         0.517727
BFGS:   12 16:25:52      -27.016140         0.055015
BFGS:   13 16:25:53      -27.016510         0.003614
BFGS:   14 16:25:53      -27.016511         0.000023
BFGS:   15 16:25:53      -27.016511         0.000000
Minimization converged after 15 steps.
Maximum force component: 9.811135060567253e-31 eV/Angstrom
Maximum stress component: 5.850846349254446e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['S', 'S', 'S', 'S', 'Zn', 'Zn', 'Zn', 'Zn']
basis =  [[0.   0.   0.  ]
 [0.   0.5  0.5 ]
 [0.5  0.   0.5 ]
 [0.5  0.5  0.  ]
 [0.25 0.25 0.25]
 [0.75 0.75 0.25]
 [0.75 0.25 0.75]
 [0.25 0.75 0.75]]
cellpar =  Cell([[4.974836499379322, 4.820024581353418e-33, -3.313091671206757e-33], [4.7716402412575316e-33, 4.974836499379322, 1.3500394977680796e-17], [5.507642999771208e-33, 1.350039497768078e-17, 4.974836499379322]])
forces =  [[ 4.22339827e-65  2.04398647e-32  2.04398647e-32]
 [-2.04398647e-32 -2.04398647e-32 -5.54684052e-50]
 [ 2.04398647e-32  2.04398647e-32  5.54684052e-50]
 [-2.04398647e-32 -5.54684052e-50 -2.04398647e-32]
 [-1.22639188e-31  9.81113506e-31 -1.91623732e-31]
 [-7.05814078e-32 -6.16229984e-31 -5.33352720e-31]
 [ 6.38745772e-32  6.94955400e-31  4.90556753e-31]
 [ 1.22639188e-31 -9.40233777e-31  5.31436482e-31]]
stress =  [-5.85084635e-10 -5.85084635e-10 -5.85084635e-10  3.74038269e-26
  6.64051210e-34 -7.75274761e-51]
energy per atom =  -3.377063923201116
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0