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_ZhouWardMartin_2013_CdTeZnSeHgS__MO_503261197030_003
==== 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 18:01:08       -2.017186         2.456759
BFGS:    1 18:01:08       -2.141280         1.170204
BFGS:    2 18:01:08       -2.207827         1.252833
BFGS:    3 18:01:08       -2.250469         0.828600
BFGS:    4 18:01:08       -2.265267         0.171763
BFGS:    5 18:01:08       -2.265901         0.054242
BFGS:    6 18:01:08       -2.265995         0.006705
BFGS:    7 18:01:08       -2.265999         0.001034
BFGS:    8 18:01:08       -2.265999         0.000056
BFGS:    9 18:01:08       -2.265999         0.000001
BFGS:   10 18:01:08       -2.265999         0.000000
Minimization converged after 10 steps.
Maximum force component: 4.9222275954584685e-33 eV/Angstrom
Maximum stress component: 1.4879536038652612e-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([[3.194708360111556, -5.168573018894037e-19, 3.406871232938846e-36], [-1.597354180055778, 2.766698597539132, 9.615686169769413e-36], [7.560170254939306e-36, 8.026423172001867e-36, 5.21693690755618]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 4.92222760e-33 -2.84184943e-33 -6.37746272e-69]]
stress =  [-1.48795360e-10 -1.48795360e-10  5.53104439e-11 -4.09194346e-34
  3.08150172e-35  2.77017855e-26]
energy per atom =  -1.1329995207398733
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0