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_2014OptimizedSW1_Si__MO_800412945727_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 12:59:56       -6.606433         1.760398
BFGS:    1 12:59:56       -6.643145         1.009936
BFGS:    2 12:59:56       -6.651622         0.541132
BFGS:    3 12:59:56       -6.660035         0.325215
BFGS:    4 12:59:56       -6.664641         0.236185
BFGS:    5 12:59:56       -6.665901         0.059197
BFGS:    6 12:59:56       -6.665958         0.007406
BFGS:    7 12:59:56       -6.665959         0.000843
BFGS:    8 12:59:56       -6.665959         0.000037
BFGS:    9 12:59:56       -6.665959         0.000003
BFGS:   10 12:59:56       -6.665959         0.000000
BFGS:   11 12:59:56       -6.665959         0.000000
Minimization converged after 11 steps.
Maximum force component: 3.1054631690717015e-32 eV/Angstrom
Maximum stress component: 9.560695442148288e-11 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([[2.7484920438181715, 4.766672285063056e-18, 3.614497480318642e-37], [-1.3742460219090857, 2.380263932045949, -1.7384581942640556e-36], [-2.2536750239436456e-36, 3.984829593084948e-36, 4.488268713040207]])
forces =  [[ 1.97620383e-32 -1.46695091e-32 -9.22036385e-33]
 [-3.10546317e-32  1.46695091e-32  9.22036385e-33]]
stress =  [ 7.80251953e-11  7.80251953e-11  9.56069544e-11 -4.61505079e-33
 -2.66450082e-33 -3.31110238e-27]
energy per atom =  -3.3329792757147487
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0