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_HauchHollandMarder_1999Brittle_Si__MO_119167353542_005
==== 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 15:38:35       22.154241        50.979316
BFGS:    1 15:38:35       15.009448        44.309392
BFGS:    2 15:38:35        8.852833        37.811429
BFGS:    3 15:38:35        3.654969        31.534604
BFGS:    4 15:38:35       -0.621254        25.532009
BFGS:    5 15:38:35       -4.021147        19.859731
BFGS:    6 15:38:35       -6.598579        14.575570
BFGS:    7 15:38:35       -8.416118         9.737353
BFGS:    8 15:38:35       -9.544874         5.400765
BFGS:    9 15:38:35      -10.063988         1.616712
BFGS:   10 15:38:35      -10.120953         0.179435
BFGS:   11 15:38:35      -10.121701         0.007786
BFGS:   12 15:38:35      -10.121702         0.000041
BFGS:   13 15:38:35      -10.121702         0.000000
Minimization converged after 13 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.323865746454348e-10 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 1.78058779e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[4.326503754445504, -4.4709580841066357e-32, 1.9908713893892524e-32], [-3.893215780418934e-32, 4.326503754445504, 9.655694852010128e-18], [-5.864057802787166e-33, 9.655694852010156e-18, 4.326503754445504]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-5.32386575e-10 -5.32386575e-10 -5.32386575e-10  5.40673148e-26
  5.48738010e-35 -4.17820948e-51]
energy per atom =  -2.5304255679550915
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0