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 17:24:06       -3.473375        22.740161
BFGS:    1 17:24:06      -11.837605        15.593280
BFGS:    2 17:24:06      -16.641432        12.262642
BFGS:    3 17:24:06      -19.861224        10.289614
BFGS:    4 17:24:06      -22.413222         8.809172
BFGS:    5 17:24:06      -24.545111         7.587854
BFGS:    6 17:24:06      -26.360072         6.532335
BFGS:    7 17:24:06      -27.912548         5.597357
BFGS:    8 17:24:06      -29.236611         4.757890
BFGS:    9 17:24:07      -30.356539         3.998504
BFGS:   10 17:24:07      -31.291327         3.308694
BFGS:   11 17:24:07      -32.056741         2.680590
BFGS:   12 17:24:07      -32.666278         2.107725
BFGS:   13 17:24:07      -33.131559         1.584245
BFGS:   14 17:24:07      -33.462393         1.104135
BFGS:   15 17:24:07      -33.666500         0.659612
BFGS:   16 17:24:07      -33.747774         0.242442
BFGS:   17 17:24:07      -33.752320         0.184889
BFGS:   18 17:24:07      -33.757703         0.155387
BFGS:   19 17:24:07      -33.761014         0.074177
BFGS:   20 17:24:07      -33.761877         0.013892
BFGS:   21 17:24:07      -33.761959         0.003598
BFGS:   22 17:24:07      -33.761962         0.000239
BFGS:   23 17:24:07      -33.761962         0.000015
BFGS:   24 17:24:07      -33.761962         0.000000
BFGS:   25 17:24:07      -33.761962         0.000000
Minimization converged after 25 steps.
Maximum force component: 1.3635137457769974e-09 eV/Angstrom
Maximum stress component: 4.846498715640082e-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([[6.293774057974673, -1.2143514959824433e-35, 0.0], [1.0339981304878845e-35, 6.293774057974673, 0.0], [0.0, 0.0, 6.293774057974673]])
forces =  [[-1.36351375e-09 -1.36351375e-09 -1.36351375e-09]
 [ 1.36351375e-09  1.36351375e-09 -1.36351375e-09]
 [ 1.36351375e-09 -1.36351375e-09  1.36351375e-09]
 [-1.36351375e-09  1.36351375e-09  1.36351375e-09]
 [ 1.36351375e-09  1.36351375e-09  1.36351375e-09]
 [-1.36351375e-09 -1.36351375e-09  1.36351375e-09]
 [-1.36351375e-09  1.36351375e-09 -1.36351375e-09]
 [ 1.36351375e-09 -1.36351375e-09 -1.36351375e-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 =  [-4.84649872e-12 -4.84649872e-12 -4.84649872e-12  0.00000000e+00
  0.00000000e+00  3.67651188e-63]
energy per atom =  -2.813496805464169
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0