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 14:15:36      -23.243871        3.2077
BFGS:    1 14:15:36      -23.680236        3.1377
BFGS:    2 14:15:36      -24.143833        3.0395
BFGS:    3 14:15:36      -24.592887        2.9422
BFGS:    4 14:15:36      -25.023203        2.7902
BFGS:    5 14:15:36      -25.428295        2.6052
BFGS:    6 14:15:36      -25.802888        2.3828
BFGS:    7 14:15:36      -26.141017        2.1181
BFGS:    8 14:15:36      -26.435940        1.8057
BFGS:    9 14:15:36      -26.680046        1.4395
BFGS:   10 14:15:36      -26.864748        1.0125
BFGS:   11 14:15:36      -26.980413        0.5177
BFGS:   12 14:15:36      -27.016140        0.0550
BFGS:   13 14:15:36      -27.016510        0.0036
BFGS:   14 14:15:36      -27.016511        0.0000
BFGS:   15 14:15:36      -27.016511        0.0000
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