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_BalamaneHaliciogluTiller_1992_Si__MO_113686039439_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 15:59:09       -4.013819        20.711962
BFGS:    1 15:59:09       -6.513338        13.164964
BFGS:    2 15:59:09       -7.869919         6.814705
BFGS:    3 15:59:09       -8.376827         1.545486
BFGS:    4 15:59:09       -8.406048         0.269952
BFGS:    5 15:59:09       -8.408750         0.372626
BFGS:    6 15:59:09       -8.412312         0.319077
BFGS:    7 15:59:09       -8.413611         0.133118
BFGS:    8 15:59:09       -8.413799         0.022168
BFGS:    9 15:59:09       -8.413806         0.002823
BFGS:   10 15:59:09       -8.413806         0.000214
BFGS:   11 15:59:09       -8.413806         0.000018
BFGS:   12 15:59:09       -8.413806         0.000000
BFGS:   13 15:59:09       -8.413806         0.000000
Minimization converged after 13 steps.
Maximum force component: 7.868986769314089e-32 eV/Angstrom
Maximum stress component: 1.8441799162664376e-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([[2.932076199691053, -9.999975294577244e-18, 8.599827199047371e-38], [-1.4660380998455265, 2.539252474764186, 4.343482054836945e-36], [5.95960131529337e-35, 1.7150212665093268e-34, 4.788060384628321]])
forces =  [[-9.79436768e-67 -2.81856923e-66 -7.86898677e-32]
 [ 6.02343824e-33 -1.04329011e-32  7.86898677e-32]]
stress =  [-1.84417992e-10 -1.84417992e-10 -6.42509077e-11  1.35174164e-32
  4.04113726e-45  1.00232504e-26]
energy per atom =  -4.206903092120952
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0