element(s):
['Te', '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:
['6.1392']
model name:
SW_ZhouWardMartin_2013_CdTeZnSeHgS__MO_503261197030_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Te', 'Zn']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.25 0.25 0.25]]
spacegroup =  216
cell =  [[6.1392, 0, 0], [0, 6.1392, 0], [0, 0, 6.1392]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:25:44      -18.899337         0.169826
BFGS:    1 15:25:44      -18.900543         0.161540
BFGS:    2 15:25:44      -18.912023         0.000202
BFGS:    3 15:25:44      -18.912023         0.000001
BFGS:    4 15:25:44      -18.912023         0.000000
Minimization converged after 4 steps.
Maximum force component: 5.718382043565924e-31 eV/Angstrom
Maximum stress component: 4.81812484927655e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Te', 'Te', 'Te', 'Te', 'Zn', 'Zn', 'Zn', 'Zn']
basis =  [[1.28475784e-34 0.00000000e+00 1.28395330e-34]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.28366048e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [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([[6.101000778227941, 2.0203244077180177e-33, -1.0406003339370506e-33], [6.733675239611854e-34, 6.101000778227941, 2.07190476233568e-21], [-2.458639797610546e-34, 2.071904762334838e-21, 6.101000778227941]])
forces =  [[-6.26672005e-33 -9.40008007e-33  6.26672005e-33]
 [ 3.13336002e-33 -3.13336002e-33 -3.13336002e-33]
 [-3.13336002e-33  6.26672005e-33  1.25334401e-32]
 [ 3.78813441e-67 -3.19227474e-54 -9.40008007e-33]
 [-5.64004804e-32  3.13336002e-32 -5.71838204e-31]
 [ 1.59409691e-31 -5.40504604e-32 -4.55512213e-31]
 [-6.11005205e-32  1.25334401e-32  5.32671204e-31]
 [ 1.00267521e-31 -8.14673606e-32  5.26404484e-31]]
stress =  [ 4.81812485e-13  4.81812485e-13  4.81812485e-13  6.67068617e-29
 -5.51908456e-35 -3.18016515e-51]
energy per atom =  -2.364002873261844
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0