element(s):
['Se']
AFLOW prototype label:
A_cI2_229_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.4406']
model name:
SW_ZhouWardMartin_2013_CdTeZnSeHgS__MO_503261197030_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Se']
representative atom coordinates =  [[0 0 0]]
spacegroup =  229
cell =  [[3.4406, 0, 0], [0, 3.4406, 0], [0, 0, 3.4406]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:10:16        2.345181        30.150393
BFGS:    1 17:10:16       -1.306467        18.911225
BFGS:    2 17:10:16       -3.444744         9.999194
BFGS:    3 17:10:16       -4.427144         3.498173
BFGS:    4 17:10:17       -4.602820         0.961743
BFGS:    5 17:10:17       -4.619813         0.163053
BFGS:    6 17:10:17       -4.620353         0.010443
BFGS:    7 17:10:17       -4.620355         0.000127
BFGS:    8 17:10:17       -4.620355         0.000000
BFGS:    9 17:10:17       -4.620355         0.000000
Minimization converged after 9 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.0099117863372985e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Se', 'Se']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.76631000061927, -3.7165955543287576e-33, 3.876868855302091e-33], [5.620380726015533e-34, 3.76631000061927, 1.4085016655361348e-19], [4.2039063095379065e-33, 1.40850166553616e-19, 3.76631000061927]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-4.00991179e-14 -4.00991179e-14 -4.00991179e-14  2.41770176e-29
 -9.84031878e-63 -7.55450447e-64]
energy per atom =  -2.310177700247806
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0