element(s):
['Si']
AFLOW prototype label:
A_cF4_225_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.868']
model name:
SW_BalamaneHauchShi_2017Brittle_Si__MO_381114941873_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[3.868, 0, 0], [0, 3.868, 0], [0, 0, 3.868]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:40:42       23.654214        54.430916
BFGS:    1 16:40:42       16.025676        47.309398
BFGS:    2 16:40:42        9.452222        40.371485
BFGS:    3 16:40:42        3.902432        33.669683
BFGS:    4 16:40:42       -0.663317        27.260677
BFGS:    5 16:40:43       -4.293402        21.204351
BFGS:    6 16:40:43       -7.045342        15.562422
BFGS:    7 16:40:43       -8.985939        10.396629
BFGS:    8 16:40:43      -10.191119         5.766428
BFGS:    9 16:40:43      -10.745379         1.726173
BFGS:   10 16:40:43      -10.806201         0.191584
BFGS:   11 16:40:43      -10.807000         0.008313
BFGS:   12 16:40:43      -10.807001         0.000044
BFGS:   13 16:40:43      -10.807001         0.000000
BFGS:   14 16:40:43      -10.807001         0.000000
Minimization converged after 14 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.713562884176419e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [6.32591861e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 5.34176338e-34]]
cellpar =  Cell([[4.326503754591095, -1.667480662605683e-32, -1.45045977663385e-32], [-1.8576389445800717e-32, 4.326503754591094, -1.3572283826736712e-17], [5.673297645942311e-32, -1.3572283826736786e-17, 4.326503754591095]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.71356288e-15 -3.71356288e-15 -3.71356288e-15 -8.60419417e-31
 -8.14532983e-35 -4.89186623e-51]
energy per atom =  -2.701750270627028
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0