element(s):
['Te']
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:
['3.1977']
model name:
SW_ZhouWardMartin_2013_CdTeZnSeHgS__MO_503261197030_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Te']
representative atom coordinates =  [[0 0 0]]
spacegroup =  221
cell =  [[3.1977, 0, 0], [0, 3.1977, 0], [0, 0, 3.1977]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 14:17:46       -1.669221        3.9500
BFGS:    1 14:17:46       -1.979576        0.3637
BFGS:    2 14:17:46       -1.982776        0.0588
BFGS:    3 14:17:46       -1.982864        0.0013
BFGS:    4 14:17:46       -1.982864        0.0000
BFGS:    5 14:17:46       -1.982864        0.0000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 9.582194842087366e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Te']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[3.376994022045733, -1.1379806452218143e-32, 2.0355953146539855e-34], [-4.447623666870341e-33, 3.376994022045733, -3.609966762584775e-18], [4.773540168357389e-34, -3.609966762584776e-18, 3.376994022045733]])
forces =  [[0. 0. 0.]]
stress =  [-9.58219484e-12 -9.58219484e-12 -9.58219484e-12  3.24379562e-28
 -3.21668028e-45  2.06483148e-61]
energy per atom =  -1.9828642210770253
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0