element(s):
['Si']
AFLOW prototype label:
A_tI8_139_h
Parameter names:
['a', 'c/a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.6881', '0.57703982', '0.8213634']
model name:
SW_ZhangXieHu_2014OptimizedSW2_Si__MO_475612090600_005
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0.8213634 0.8213634 0.       ]]
spacegroup =  139
cell =  [[6.6881, 0, 0], [0, 6.6881, 0], [0, 0, 3.8593]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 09:48:54      -26.590684         1.371234
BFGS:    1 09:48:54      -26.666463         1.319143
BFGS:    2 09:48:54      -26.842458         1.178793
BFGS:    3 09:48:54      -26.994113         1.028268
BFGS:    4 09:48:54      -27.120886         0.864909
BFGS:    5 09:48:54      -27.221765         0.686031
BFGS:    6 09:48:54      -27.295445         0.490314
BFGS:    7 09:48:54      -27.340666         0.279473
BFGS:    8 09:48:54      -27.356895         0.172833
BFGS:    9 09:48:54      -27.357771         0.184833
BFGS:   10 09:48:54      -27.361134         0.201908
BFGS:   11 09:48:54      -27.363830         0.183463
BFGS:   12 09:48:54      -27.368558         0.127538
BFGS:   13 09:48:54      -27.370612         0.065266
BFGS:   14 09:48:54      -27.371039         0.012233
BFGS:   15 09:48:54      -27.371063         0.001002
BFGS:   16 09:48:54      -27.371064         0.000115
BFGS:   17 09:48:54      -27.371064         0.000005
BFGS:   18 09:48:54      -27.371064         0.000000
BFGS:   19 09:48:54      -27.371064         0.000000
Minimization converged after 19 steps.
Maximum force component: 9.733005336474806e-10 eV/Angstrom
Maximum stress component: 1.0567689591056562e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[0.818681 0.818681 0.      ]
 [0.181319 0.181319 0.      ]
 [0.181319 0.818681 0.      ]
 [0.818681 0.181319 0.      ]
 [0.318681 0.318681 0.5     ]
 [0.681319 0.681319 0.5     ]
 [0.681319 0.318681 0.5     ]
 [0.318681 0.681319 0.5     ]]
cellpar =  Cell([[6.335179555944846, -4.932794648816415e-36, 9.14036264651597e-33], [-3.511100734376187e-36, 6.335179555944847, 1.1595969595257835e-17], [7.242062028606802e-33, 6.511637538657723e-18, 3.7578212042871306]])
forces =  [[ 9.73300534e-10  9.73300534e-10  1.78149173e-27]
 [-9.73300534e-10 -9.73300534e-10 -1.78153804e-27]
 [-9.73300534e-10  9.73300534e-10  1.78153804e-27]
 [ 9.73300534e-10 -9.73300534e-10 -1.78149173e-27]
 [ 9.73300534e-10  9.73300534e-10  1.78149173e-27]
 [-9.73300534e-10 -9.73300534e-10 -1.78153804e-27]
 [-9.73300534e-10  9.73300534e-10  1.78153804e-27]
 [ 9.73300534e-10 -9.73300534e-10 -1.78149173e-27]]
stress =  [ 1.05676896e-10  1.05676896e-10  2.75989102e-12  8.35331613e-27
 -2.58878166e-34 -2.87412500e-50]
energy per atom =  -3.4213829383443737
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0