element(s):
['Cd']
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:
['3.0419', '1.8324403']
model name:
SW_WangStroudMarkworth_1989_CdTe__MO_786496821446_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cd']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[3.0419, 0, 0], [-1.52095, 2.6343626757719, 0], [0, 0, 5.5741]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:01:39        6.271009        20.659463
BFGS:    1 17:01:39        3.772630        16.216388
BFGS:    2 17:01:39        1.790451        12.197031
BFGS:    3 17:01:39        0.384825         9.275010
BFGS:    4 17:01:39       -0.588624         6.676069
BFGS:    5 17:01:39       -1.227302         4.371869
BFGS:    6 17:01:39       -1.599178         2.365650
BFGS:    7 17:01:39       -1.758428         0.687422
BFGS:    8 17:01:39       -1.775180         0.264733
BFGS:    9 17:01:39       -1.776953         0.329869
BFGS:   10 17:01:39       -1.779850         0.350202
BFGS:   11 17:01:39       -1.783205         0.261780
BFGS:   12 17:01:39       -1.785049         0.095336
BFGS:   13 17:01:39       -1.785318         0.023500
BFGS:   14 17:01:39       -1.785345         0.003166
BFGS:   15 17:01:39       -1.785347         0.000537
BFGS:   16 17:01:39       -1.785347         0.000039
BFGS:   17 17:01:39       -1.785347         0.000000
BFGS:   18 17:01:39       -1.785347         0.000000
Minimization converged after 18 steps.
Maximum force component: 5.616255281590479e-33 eV/Angstrom
Maximum stress component: 1.2123846676212202e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cd', 'Cd']
basis =  [[0.33333333 0.66666667 0.25      ]
 [0.66666666 0.33333334 0.75      ]]
cellpar =  Cell([[3.645158081916485, -6.86000028196257e-17, 7.743126945123498e-36], [-1.8225790409582425, 3.156799499749833, 7.754216241903722e-36], [-2.2867689472971908e-37, -1.965249175507136e-34, 5.952518224625011]])
forces =  [[-5.61625528e-33  3.24254650e-33  1.13905113e-71]
 [ 5.61625528e-33 -3.24254650e-33 -1.13905113e-71]]
stress =  [-1.21238467e-10 -1.21238467e-10  1.35622367e-11  6.55953006e-34
 -7.41611473e-46  1.17133277e-26]
energy per atom =  -0.892673414753756
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0