element(s):
['Si']
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:
['2.6864', '1.708383']
model name:
SW_ZhangXieHu_2014OptimizedSW2_Si__MO_475612090600_005
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[2.6864, 0, 0], [-1.3432, 2.3264906447265, 0], [0, 0, 4.5894]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:08:10       -4.314558       10.5299
BFGS:    1 15:08:10       -5.355890        4.2041
BFGS:    2 15:08:10       -5.563268        0.7740
BFGS:    3 15:08:10       -5.573028        0.4048
BFGS:    4 15:08:10       -5.577569        0.4861
BFGS:    5 15:08:10       -5.582501        0.3457
BFGS:    6 15:08:10       -5.584103        0.1124
BFGS:    7 15:08:10       -5.584250        0.0185
BFGS:    8 15:08:10       -5.584256        0.0026
BFGS:    9 15:08:10       -5.584256        0.0002
BFGS:   10 15:08:10       -5.584256        0.0000
BFGS:   11 15:08:10       -5.584256        0.0000
BFGS:   12 15:08:10       -5.584256        0.0000
Minimization converged after 12 steps.
Maximum force component: 3.5036725944884977e-32 eV/Angstrom
Maximum stress component: 1.6411512382575748e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si']
basis =  [[0.33333333 0.66666667 0.25      ]
 [0.66666666 0.33333334 0.75      ]]
cellpar =  Cell([[2.842516907140187, 8.04120481673287e-18, -5.635664013564038e-37], [-1.4212584535700934, 2.4616918522701736, -1.255337228010966e-36], [-1.297318233204059e-35, 2.421085968846511e-35, 4.641810672394277]])
forces =  [[ 3.50367259e-32 -2.02284632e-32  5.68448917e-69]
 [-2.33578173e-32  2.02284632e-32 -7.99998658e-69]]
stress =  [-1.64115124e-10 -1.64115124e-10 -3.64399624e-11 -1.98574963e-45
 -1.44242970e-45 -5.47860201e-27]
energy per atom =  -2.792128047024601
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0