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 15:10:48       -4.314558        10.529873
BFGS:    1 15:10:48       -5.355890         4.204086
BFGS:    2 15:10:48       -5.563268         0.773984
BFGS:    3 15:10:48       -5.573028         0.404750
BFGS:    4 15:10:48       -5.577569         0.486128
BFGS:    5 15:10:48       -5.582501         0.345731
BFGS:    6 15:10:48       -5.584103         0.112439
BFGS:    7 15:10:48       -5.584250         0.018517
BFGS:    8 15:10:48       -5.584256         0.002581
BFGS:    9 15:10:48       -5.584256         0.000248
BFGS:   10 15:10:48       -5.584256         0.000019
BFGS:   11 15:10:48       -5.584256         0.000000
BFGS:   12 15:10:48       -5.584256         0.000000
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, 8.01972174784671e-18, -2.75363746176429e-38], [-1.4212584535700934, 2.4616918522701736, -5.81725873628905e-38], [-7.582414782045841e-37, 1.967310256701765e-36, 4.641810672394277]])
forces =  [[ 3.50367259e-32 -2.02284632e-32  2.51746985e-70]
 [-2.33578173e-32  2.02284632e-32 -3.64884325e-70]]
stress =  [-1.64115124e-10 -1.64115124e-10 -3.64399624e-11 -1.16027834e-46
 -9.10804650e-47 -6.58101497e-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