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 14:49:17        6.271009       20.6595
BFGS:    1 14:49:17        3.772630       16.2164
BFGS:    2 14:49:17        1.790451       12.1970
BFGS:    3 14:49:17        0.384825        9.2750
BFGS:    4 14:49:17       -0.588624        6.6761
BFGS:    5 14:49:17       -1.227302        4.3719
BFGS:    6 14:49:17       -1.599178        2.3657
BFGS:    7 14:49:17       -1.758428        0.6874
BFGS:    8 14:49:17       -1.775180        0.2647
BFGS:    9 14:49:17       -1.776953        0.3299
BFGS:   10 14:49:17       -1.779850        0.3502
BFGS:   11 14:49:17       -1.783205        0.2618
BFGS:   12 14:49:17       -1.785049        0.0953
BFGS:   13 14:49:17       -1.785318        0.0235
BFGS:   14 14:49:17       -1.785345        0.0032
BFGS:   15 14:49:17       -1.785347        0.0005
BFGS:   16 14:49:17       -1.785347        0.0000
BFGS:   17 14:49:17       -1.785347        0.0000
BFGS:   18 14:49:17       -1.785347        0.0000
Minimization converged after 18 steps.
Maximum force component: 1.357261693051032e-32 eV/Angstrom
Maximum stress component: 1.2123865559737019e-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([[3.645158081916484, 2.5915152651779363e-17, 2.0957478929382366e-35], [-1.822579040958242, 3.1567994997498334, 1.8607126505086223e-34], [-1.2212351520956176e-34, 1.8401228846345834e-34, 5.95251822462501]])
forces =  [[ 1.35726169e-32 -5.67445637e-33 -2.75271007e-67]
 [-9.36042547e-33  3.24254650e-33  1.48071973e-67]]
stress =  [-1.21238656e-10 -1.21238656e-10  1.35620786e-11 -4.37302004e-34
  1.00778836e-45  2.87069220e-26]
energy per atom =  -0.8926734147537567
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0