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 17:16:21       23.654214       54.4309
BFGS:    1 17:16:21       16.025676       47.3094
BFGS:    2 17:16:21        9.452222       40.3715
BFGS:    3 17:16:21        3.902432       33.6697
BFGS:    4 17:16:21       -0.663317       27.2607
BFGS:    5 17:16:21       -4.293402       21.2044
BFGS:    6 17:16:21       -7.045342       15.5624
BFGS:    7 17:16:21       -8.985939       10.3966
BFGS:    8 17:16:21      -10.191119        5.7664
BFGS:    9 17:16:21      -10.745379        1.7262
BFGS:   10 17:16:21      -10.806201        0.1916
BFGS:   11 17:16:21      -10.807000        0.0083
BFGS:   12 17:16:21      -10.807001        0.0000
BFGS:   13 17:16:21      -10.807001        0.0000
BFGS:   14 17:16:21      -10.807001        0.0000
Minimization converged after 14 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.19428947281059e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.66930106e-34]]
cellpar =  Cell([[4.326503754591095, -2.8264633137888418e-34, -4.767135871690874e-33], [-1.6141376553123272e-32, 4.326503754591095, 6.066691038257539e-19], [5.2959303508735455e-33, 6.066691038257499e-19, 4.326503754591095]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.19428947e-15 -3.19428947e-15 -3.19428947e-15  5.16157811e-33
  5.48738010e-35 -2.80340492e-54]
energy per atom =  -2.7017502706270218
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0