element(s):
['Zn']
AFLOW prototype label:
A_hP2_194_c
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.6771', '1.7211908']
model name:
SW_ZhouWardMartin_2013_CdTeZnSeHgS__MO_503261197030_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Zn']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[2.6771, 0, 0], [-1.33855, 2.3184366084713, 0], [0, 0, 4.6078]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:02:39       -1.912645         6.615340
BFGS:    1 16:02:39       -2.496625         2.728908
BFGS:    2 16:02:39       -2.626249         0.675923
BFGS:    3 16:02:39       -2.638317         0.454135
BFGS:    4 16:02:39       -2.643833         0.463043
BFGS:    5 16:02:39       -2.648587         0.273553
BFGS:    6 16:02:39       -2.649869         0.069668
BFGS:    7 16:02:39       -2.649986         0.015674
BFGS:    8 16:02:39       -2.649993         0.000985
BFGS:    9 16:02:39       -2.649993         0.000128
BFGS:   10 16:02:39       -2.649993         0.000004
BFGS:   11 16:02:39       -2.649993         0.000000
BFGS:   12 16:02:39       -2.649993         0.000000
Minimization converged after 12 steps.
Maximum force component: 1.5215793304236119e-31 eV/Angstrom
Maximum stress component: 4.801128279318911e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Zn', 'Zn']
basis =  [[0.33333333 0.66666667 0.25      ]
 [0.66666666 0.33333334 0.75      ]]
cellpar =  Cell([[2.8347909787094596, -7.317923510053857e-18, 2.3206929263235674e-35], [-1.4173954893547298, 2.455001001981343, 1.9020961516071302e-35], [-4.952900578084053e-35, 7.549057111577968e-36, 4.629194283615262]])
forces =  [[-1.62797901e-66  2.48131501e-67  1.52157933e-31]
 [-5.82358275e-33  1.50333952e-50 -1.52157933e-31]]
stress =  [-4.80112828e-11 -4.80112828e-11 -2.16144750e-11 -1.35573058e-33
 -1.56546283e-34  1.05079990e-26]
energy per atom =  -1.3249966316115231
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0