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 15:30:06       22.154241        50.979316
BFGS:    1 15:30:06       15.009448        44.309392
BFGS:    2 15:30:06        8.852833        37.811429
BFGS:    3 15:30:06        3.654969        31.534604
BFGS:    4 15:30:06       -0.621254        25.532009
BFGS:    5 15:30:06       -4.021147        19.859731
BFGS:    6 15:30:06       -6.598579        14.575570
BFGS:    7 15:30:06       -8.416118         9.737353
BFGS:    8 15:30:06       -9.544874         5.400765
BFGS:    9 15:30:06      -10.063988         1.616712
BFGS:   10 15:30:06      -10.120953         0.179435
BFGS:   11 15:30:06      -10.121701         0.007786
BFGS:   12 15:30:06      -10.121702         0.000041
BFGS:   13 15:30:06      -10.121702         0.000000
Minimization converged after 13 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.32386540487486e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [7.90739827e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.42447024e-33 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[4.326503754445504, 7.676286197388379e-33, -4.1638992565813727e-32], [9.340287735530614e-33, 4.326503754445504, -3.9532260236570466e-17], [4.401213920136608e-32, -3.953226023657056e-17, 4.326503754445504]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-5.32386540e-10 -5.32386540e-10 -5.32386540e-10 -1.50552305e-27
 -4.25271958e-34 -5.98937858e-51]
energy per atom =  -2.5304255679550987
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0