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 20:11:03      -23.243871         3.207688
BFGS:    1 20:11:04      -23.680236         3.137721
BFGS:    2 20:11:04      -24.143833         3.039542
BFGS:    3 20:11:04      -24.592887         2.942174
BFGS:    4 20:11:04      -25.023203         2.790196
BFGS:    5 20:11:04      -25.428295         2.605178
BFGS:    6 20:11:04      -25.802888         2.382779
BFGS:    7 20:11:04      -26.141017         2.118123
BFGS:    8 20:11:04      -26.435940         1.805740
BFGS:    9 20:11:04      -26.680046         1.439486
BFGS:   10 20:11:04      -26.864748         1.012459
BFGS:   11 20:11:04      -26.980413         0.517727
BFGS:   12 20:11:04      -27.016140         0.055015
BFGS:   13 20:11:04      -27.016510         0.003614
BFGS:   14 20:11:04      -27.016511         0.000023
BFGS:   15 20:11:04      -27.016511         0.000000
Minimization converged after 15 steps.
Maximum force component: 2.534543223979874e-30 eV/Angstrom
Maximum stress component: 5.850845943478495e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['S', 'S', 'S', 'S', 'Zn', 'Zn', 'Zn', 'Zn']
basis =  [[0.00000000e+00 8.98767307e-34 0.00000000e+00]
 [8.98370709e-34 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 6.96841776e-34]
 [2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]]
cellpar =  Cell([[4.974836499379322, 2.569326325139194e-33, -6.737433530323248e-33], [-5.783046162486391e-34, 4.974836499379322, -6.598397510234034e-18], [9.817499067555239e-33, -6.598397510234057e-18, 4.974836499379322]])
forces =  [[-8.17594588e-32 -1.22639188e-31  4.08797294e-32]
 [ 4.08797294e-32  4.08797294e-32 -4.08797294e-32]
 [ 1.22639188e-31  4.08797294e-32 -5.42210191e-50]
 [ 4.08797294e-32  8.17594588e-32 -4.08797294e-32]
 [-2.45278377e-31 -1.96222701e-30  8.58474318e-31]
 [ 2.02482410e-31  2.17812308e-30  1.25705168e-30]
 [-6.94955400e-31 -1.71694864e-30 -2.53454322e-30]
 [ 8.17594588e-31  1.74249847e-30  2.28926485e-30]]
stress =  [-5.85084594e-10 -5.85084594e-10 -5.85084594e-10 -1.80033126e-25
  3.64782527e-58 -1.08755746e-58]
energy per atom =  -3.377063923201117
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0