element(s):
['Se']
AFLOW prototype label:
A_cP1_221_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.8311']
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 =  221
cell =  [[2.8311, 0, 0], [0, 2.8311, 0], [0, 0, 2.8311]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:09:39       -0.157798        11.747214
BFGS:    1 15:09:39       -1.479164         6.023297
BFGS:    2 15:09:39       -2.029747         1.539965
BFGS:    3 15:09:39       -2.076576         0.303446
BFGS:    4 15:09:39       -2.078633         0.023482
BFGS:    5 15:09:39       -2.078646         0.000422
BFGS:    6 15:09:39       -2.078646         0.000001
BFGS:    7 15:09:39       -2.078646         0.000000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.528984010296225e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Se']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[3.1757834950509363, 1.3195729573837882e-33, -2.4992963085596996e-33], [1.826763555534469e-32, 3.1757834950509363, 4.0948762715066935e-19], [-3.739184794304773e-33, 4.094876271506796e-19, 3.1757834950509363]])
forces =  [[0. 0. 0.]]
stress =  [-5.52898401e-13 -5.52898401e-13 -5.52898401e-13  4.00197988e-29
  1.51659539e-46  4.40228286e-61]
energy per atom =  -2.0786460964222266
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0