element(s):
['S', 'Zn']
AFLOW prototype label:
A2B_cP12_205_c_a
Parameter names:
['a', 'x2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.919', '0.39858255']
model name:
SW_ZhouWardMartin_2013_CdTeZnSeHgS__MO_503261197030_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['S', 'Zn']
representative atom coordinates =  [[0.39858255 0.39858255 0.39858255]
 [0.         0.         0.        ]]
spacegroup =  205
cell =  [[5.919, 0, 0], [0, 5.919, 0], [0, 0, 5.919]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 18:26:10       -3.473375       22.7402
BFGS:    1 18:26:10      -11.837605       15.5933
BFGS:    2 18:26:10      -16.641432       12.2626
BFGS:    3 18:26:10      -19.861224       10.2896
BFGS:    4 18:26:10      -22.413222        8.8092
BFGS:    5 18:26:10      -24.545111        7.5879
BFGS:    6 18:26:10      -26.360072        6.5323
BFGS:    7 18:26:10      -27.912548        5.5974
BFGS:    8 18:26:10      -29.236611        4.7579
BFGS:    9 18:26:10      -30.356539        3.9985
BFGS:   10 18:26:10      -31.291327        3.3087
BFGS:   11 18:26:10      -32.056741        2.6806
BFGS:   12 18:26:10      -32.666278        2.1077
BFGS:   13 18:26:10      -33.131559        1.5842
BFGS:   14 18:26:10      -33.462393        1.1041
BFGS:   15 18:26:10      -33.666500        0.6596
BFGS:   16 18:26:10      -33.747774        0.2424
BFGS:   17 18:26:10      -33.752320        0.1849
BFGS:   18 18:26:10      -33.757703        0.1554
BFGS:   19 18:26:10      -33.761014        0.0742
BFGS:   20 18:26:10      -33.761877        0.0139
BFGS:   21 18:26:10      -33.761959        0.0036
BFGS:   22 18:26:10      -33.761962        0.0002
BFGS:   23 18:26:10      -33.761962        0.0000
BFGS:   24 18:26:10      -33.761962        0.0000
BFGS:   25 18:26:10      -33.761962        0.0000
Minimization converged after 25 steps.
Maximum force component: 1.3635194756409187e-09 eV/Angstrom
Maximum stress component: 4.847079623158476e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'Zn', 'Zn', 'Zn', 'Zn']
basis =  [[3.64997898e-01 3.64997898e-01 3.64997898e-01]
 [1.35002102e-01 6.35002102e-01 8.64997898e-01]
 [6.35002102e-01 8.64997898e-01 1.35002102e-01]
 [8.64997898e-01 1.35002102e-01 6.35002102e-01]
 [6.35002102e-01 6.35002102e-01 6.35002102e-01]
 [8.64997898e-01 3.64997898e-01 1.35002102e-01]
 [3.64997898e-01 1.35002102e-01 8.64997898e-01]
 [1.35002102e-01 8.64997898e-01 3.64997898e-01]
 [2.25083229e-16 2.25083229e-16 2.25083229e-16]
 [5.00000000e-01 2.25083229e-16 5.00000000e-01]
 [2.25083229e-16 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 2.25083229e-16]]
cellpar =  Cell([[6.293774057974672, 1.6631578373969786e-35, 0.0], [-8.211594644900086e-36, 6.293774057974672, 0.0], [0.0, 0.0, 6.293774057974672]])
forces =  [[-1.36351948e-09 -1.36351948e-09 -1.36351948e-09]
 [ 1.36351948e-09  1.36351948e-09 -1.36351948e-09]
 [ 1.36351948e-09 -1.36351948e-09  1.36351948e-09]
 [-1.36351948e-09  1.36351948e-09  1.36351948e-09]
 [ 1.36351948e-09  1.36351948e-09  1.36351948e-09]
 [-1.36351948e-09 -1.36351948e-09  1.36351948e-09]
 [-1.36351948e-09  1.36351948e-09 -1.36351948e-09]
 [ 1.36351948e-09 -1.36351948e-09 -1.36351948e-09]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [-4.84707962e-12 -4.84707962e-12 -4.84707962e-12  0.00000000e+00
  0.00000000e+00 -8.29787515e-34]
energy per atom =  -2.8134968054641694
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0