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:
SW_ZhouWardMartin_2013_CdTeZnSeHgS__MO_503261197030_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 14:15:43      -24.625053        0.2052
BFGS:    1 14:15:43      -24.626799        0.1919
BFGS:    2 14:15:43      -24.639859        0.0206
BFGS:    3 14:15:43      -24.640031        0.0022
BFGS:    4 14:15:43      -24.640033        0.0000
BFGS:    5 14:15:43      -24.640033        0.0000
BFGS:    6 14:15:43      -24.640033        0.0000
Minimization converged after 6 steps.
Maximum force component: 1.1994134463565652e-30 eV/Angstrom
Maximum stress component: 2.89609405145951e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['S', 'S', 'S', 'S', 'Zn', 'Zn', 'Zn', 'Zn']
basis =  [[2.56611631e-34 5.13584190e-34 2.56793531e-34]
 [5.13385166e-34 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 2.60513609e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 5.11007465e-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([[5.405998845140299, -3.0402445030888616e-33, -9.268809398279839e-33], [-2.334901158348813e-38, 5.405998845140299, -7.96186564569676e-20], [1.63625426212308e-33, -7.961865645698124e-20, 5.405998845140299]])
forces =  [[-2.22113601e-32 -2.22113601e-32 -2.22113601e-32]
 [-3.36139849e-66  1.63562618e-52 -1.11056801e-32]
 [-6.72279697e-66  3.27125236e-52 -2.22113601e-32]
 [-2.22113601e-32 -2.22113601e-32  3.27125236e-52]
 [-5.10861283e-31  3.99804482e-31 -1.01269920e-30]
 [ 9.92830445e-31 -1.08367144e-31 -1.09234775e-30]
 [-2.40160331e-31  3.55381762e-31  1.19941345e-30]
 [ 4.66438562e-31  2.77642001e-32 -4.44227202e-32]]
stress =  [-2.89609405e-14 -2.89609405e-14 -2.89609405e-14  3.47496410e-31
  2.81175388e-34 -2.24278856e-50]
energy per atom =  -3.0800041305458783
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0