element(s):
['Si']
AFLOW prototype label:
A_hR8_148_cf
Parameter names:
['a', 'c/a', 'x1', 'x2', 'y2', 'z2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['9.4412577', '0.59921929', '0.28578699', '0.47802387', '0.97998916', '0.28193827']
model name:
SW_HauchHollandMarder_1999Brittle_Si__MO_119167353542_005
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si', 'Si']
representative atom coordinates =  [[0.         0.         0.28578699]
 [0.73333873 0.76862656 0.24665043]]
spacegroup =  148
cell =  [[9.4413, 0, 0], [-4.72065, 8.17640564475, 0], [0, 0, 5.6574]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:14:28      -88.494005         1.222838
BFGS:    1 16:14:28      -88.732328         1.189577
BFGS:    2 16:14:28      -89.279663         1.112450
BFGS:    3 16:14:29      -89.785990         1.077959
BFGS:    4 16:14:29      -90.353610         1.560697
BFGS:    5 16:14:29      -91.051289         2.159768
BFGS:    6 16:14:30      -91.894393         2.698330
BFGS:    7 16:14:30      -92.837052         2.997908
BFGS:    8 16:14:30      -93.781770         2.905790
BFGS:    9 16:14:30      -94.622319         2.334737
BFGS:   10 16:14:30      -95.241958         1.287159
BFGS:   11 16:14:30      -95.461110         0.479257
BFGS:   12 16:14:31      -95.470213         0.446837
BFGS:   13 16:14:31      -95.484075         0.406151
BFGS:   14 16:14:31      -95.488980         0.394039
BFGS:   15 16:14:31      -95.503594         0.349463
BFGS:   16 16:14:31      -95.517259         0.303054
BFGS:   17 16:14:31      -95.530530         0.255873
BFGS:   18 16:14:31      -95.542727         0.208523
BFGS:   19 16:14:31      -95.553083         0.161412
BFGS:   20 16:14:31      -95.561041         0.114906
BFGS:   21 16:14:32      -95.566339         0.114169
BFGS:   22 16:14:32      -95.569121         0.130922
BFGS:   23 16:14:32      -95.570250         0.133775
BFGS:   24 16:14:32      -95.573954         0.133255
BFGS:   25 16:14:32      -95.577516         0.121918
BFGS:   26 16:14:33      -95.582144         0.095721
BFGS:   27 16:14:33      -95.586782         0.088449
BFGS:   28 16:14:33      -95.591254         0.069040
BFGS:   29 16:14:33      -95.593906         0.037708
BFGS:   30 16:14:33      -95.594702         0.014758
BFGS:   31 16:14:33      -95.594798         0.004432
BFGS:   32 16:14:33      -95.594805         0.001018
BFGS:   33 16:14:33      -95.594806         0.000253
BFGS:   34 16:14:33      -95.594806         0.000056
BFGS:   35 16:14:34      -95.594806         0.000013
BFGS:   36 16:14:34      -95.594806         0.000001
BFGS:   37 16:14:34      -95.594806         0.000000
BFGS:   38 16:14:34      -95.594806         0.000000
BFGS:   39 16:14:34      -95.594806         0.000000
Minimization converged after 39 steps.
Maximum force component: 6.237589393427139e-10 eV/Angstrom
Maximum stress component: 2.2361916074576056e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[0.         0.         0.19428134]
 [0.66666667 0.33333333 0.52761468]
 [0.33333333 0.66666667 0.86094801]
 [1.         1.         0.80571866]
 [0.66666667 0.33333333 0.13905199]
 [0.33333333 0.66666667 0.47238532]
 [0.73142711 0.76857289 0.26857289]
 [0.23142711 0.96285423 0.26857289]
 [0.03714577 0.26857289 0.26857289]
 [0.39809378 0.10190622 0.60190622]
 [0.89809378 0.29618756 0.60190622]
 [0.70381244 0.60190622 0.60190622]
 [0.06476045 0.43523955 0.93523955]
 [0.56476045 0.6295209  0.93523955]
 [0.3704791  0.93523955 0.93523955]
 [0.26857289 0.23142711 0.73142711]
 [0.76857289 0.03714577 0.73142711]
 [0.96285423 0.73142711 0.73142711]
 [0.93523955 0.56476045 0.06476045]
 [0.43523955 0.3704791  0.06476045]
 [0.6295209  0.06476045 0.06476045]
 [0.60190622 0.89809378 0.39809378]
 [0.10190622 0.70381244 0.39809378]
 [0.29618756 0.39809378 0.39809378]]
cellpar =  Cell([[9.508940415804222, -3.511723271016576e-14, 4.801786995652691e-17], [-4.754470207902082, 8.234983963159038, 4.6354461419343466e-17], [2.832775842545076e-17, 4.797876655019154e-15, 5.823013003368309]])
forces =  [[ 1.87570407e-27  3.17643712e-25  3.85513473e-10]
 [ 1.87539152e-27  3.17644253e-25  3.85513473e-10]
 [ 1.87544361e-27  3.17644163e-25  3.85513473e-10]
 [-1.87664172e-27 -3.17643531e-25 -3.85513473e-10]
 [-1.87669381e-27 -3.17643441e-25 -3.85513473e-10]
 [-1.87674591e-27 -3.17643351e-25 -3.85513473e-10]
 [ 2.65239740e-10 -5.67118548e-10  2.20413579e-10]
 [ 3.58519199e-10  5.13263627e-10  2.20413579e-10]
 [-6.23758939e-10  5.38549205e-11  2.20413579e-10]
 [ 2.65239740e-10 -5.67118548e-10  2.20413579e-10]
 [ 3.58519199e-10  5.13263627e-10  2.20413579e-10]
 [-6.23758939e-10  5.38549205e-11  2.20413579e-10]
 [ 2.65239740e-10 -5.67118548e-10  2.20413579e-10]
 [ 3.58519199e-10  5.13263627e-10  2.20413579e-10]
 [-6.23758939e-10  5.38549205e-11  2.20413579e-10]
 [-2.65239740e-10  5.67118548e-10 -2.20413579e-10]
 [-3.58519199e-10 -5.13263627e-10 -2.20413579e-10]
 [ 6.23758939e-10 -5.38549205e-11 -2.20413579e-10]
 [-2.65239740e-10  5.67118548e-10 -2.20413579e-10]
 [-3.58519199e-10 -5.13263627e-10 -2.20413579e-10]
 [ 6.23758939e-10 -5.38549205e-11 -2.20413579e-10]
 [-2.65239740e-10  5.67118548e-10 -2.20413579e-10]
 [-3.58519199e-10 -5.13263627e-10 -2.20413579e-10]
 [ 6.23758939e-10 -5.38549205e-11 -2.20413579e-10]]
stress =  [9.70032058e-12 9.70032058e-12 2.23619161e-11 3.63258817e-27
 3.93315279e-27 3.02459144e-27]
energy per atom =  -3.983116899067777
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is A_hR8_148_cf, while relaxed is A_cI16_206_c. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.