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 19:10:49      -24.625053         0.205201
BFGS:    1 19:10:49      -24.626799         0.191865
BFGS:    2 19:10:49      -24.639859         0.020552
BFGS:    3 19:10:49      -24.640031         0.002212
BFGS:    4 19:10:49      -24.640033         0.000027
BFGS:    5 19:10:49      -24.640033         0.000000
BFGS:    6 19:10:49      -24.640033         0.000000
Minimization converged after 6 steps.
Maximum force component: 2.8874768153028425e-30 eV/Angstrom
Maximum stress component: 2.8960940514596105e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['S', 'S', 'S', 'S', 'Zn', 'Zn', 'Zn', 'Zn']
basis =  [[2.56612345e-34 5.13584190e-34 2.56793531e-34]
 [5.13385135e-34 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 2.60513609e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 5.12120771e-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, -1.7755848852832885e-37, 5.393422570461169e-34], [1.5200119019170275e-33, 5.405998845140299, -7.962672763908096e-20], [1.3848412851509122e-33, -7.962672763909156e-20, 5.405998845140299]])
forces =  [[-4.44227202e-32 -4.44227202e-32 -1.11056801e-32]
 [-1.42245723e-65  8.17895995e-52 -5.55284003e-32]
 [-4.44227202e-32 -1.11056801e-32  1.63579199e-52]
 [-1.11056801e-32  3.27158398e-52 -2.22113601e-32]
 [ 3.10959042e-31  1.33268161e-31 -1.96431716e-30]
 [ 5.99533197e-32 -1.97472874e-31 -2.84687167e-30]
 [-8.46808104e-32  1.33268161e-31  2.88747682e-30]
 [ 1.77690881e-31 -2.97076942e-31  1.57700657e-30]]
stress =  [-2.89609405e-14 -2.89609405e-14 -2.89609405e-14  1.29330442e-30
  3.74042762e-64 -6.30704015e-64]
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