element(s):
['Si']
AFLOW prototype label:
A_cI16_206_c
Parameter names:
['a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.657', '0.10135586']
model name:
Sim_LAMMPS_MEAM_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__SM_656517352485_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0.10135586 0.10135586 0.10135586]]
spacegroup =  206
cell =  [[6.657, 0, 0], [0, 6.657, 0], [0, 0, 6.657]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:39:24      -69.961205        0.7786
BFGS:    1 17:39:24      -70.065593        0.5756
BFGS:    2 17:39:24      -70.095343        0.5181
BFGS:    3 17:39:24      -70.118626        0.4540
BFGS:    4 17:39:24      -70.162618        0.3306
BFGS:    5 17:39:24      -70.200562        0.3478
BFGS:    6 17:39:24      -70.233862        0.2689
BFGS:    7 17:39:24      -70.253205        0.0854
BFGS:    8 17:39:24      -70.254711        0.0178
BFGS:    9 17:39:24      -70.254865        0.0022
BFGS:   10 17:39:24      -70.254868        0.0002
BFGS:   11 17:39:24      -70.254868        0.0000
BFGS:   12 17:39:25      -70.254868        0.0000
BFGS:   13 17:39:25      -70.254868        0.0000
Minimization converged after 13 steps.
Maximum force component: 4.040478946791087e-11 eV/Angstrom
Maximum stress component: 2.267010418912997e-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']
basis =  [[0.10244029 0.10244029 0.10244029]
 [0.39755971 0.89755971 0.60244029]
 [0.89755971 0.60244029 0.39755971]
 [0.60244029 0.39755971 0.89755971]
 [0.60244029 0.60244029 0.60244029]
 [0.89755971 0.39755971 0.10244029]
 [0.39755971 0.10244029 0.89755971]
 [0.10244029 0.89755971 0.39755971]
 [0.89755971 0.89755971 0.89755971]
 [0.60244029 0.10244029 0.39755971]
 [0.10244029 0.39755971 0.60244029]
 [0.39755971 0.60244029 0.10244029]
 [0.39755971 0.39755971 0.39755971]
 [0.10244029 0.60244029 0.89755971]
 [0.60244029 0.89755971 0.10244029]
 [0.89755971 0.10244029 0.60244029]]
cellpar =  Cell([[6.75320955226978, -3.735112145769096e-37, 0.0], [2.6965288411201045e-37, 6.75320955226978, 0.0], [0.0, 0.0, 6.75320955226978]])
forces =  [[-4.04047895e-11 -4.04047895e-11 -4.04047895e-11]
 [ 4.04047895e-11  4.04047895e-11 -4.04047895e-11]
 [ 4.04047895e-11 -4.04047895e-11  4.04047895e-11]
 [-4.04047895e-11  4.04047895e-11  4.04047895e-11]
 [-4.04047895e-11 -4.04047895e-11 -4.04047895e-11]
 [ 4.04047895e-11  4.04047895e-11 -4.04047895e-11]
 [ 4.04047895e-11 -4.04047895e-11  4.04047895e-11]
 [-4.04047895e-11  4.04047895e-11  4.04047895e-11]
 [ 4.04047895e-11  4.04047895e-11  4.04047895e-11]
 [-4.04047895e-11 -4.04047895e-11  4.04047895e-11]
 [-4.04047895e-11  4.04047895e-11 -4.04047895e-11]
 [ 4.04047895e-11 -4.04047895e-11 -4.04047895e-11]
 [ 4.04047895e-11  4.04047895e-11  4.04047895e-11]
 [-4.04047895e-11 -4.04047895e-11  4.04047895e-11]
 [-4.04047895e-11  4.04047895e-11 -4.04047895e-11]
 [ 4.04047895e-11 -4.04047895e-11 -4.04047895e-11]]
stress =  [-2.26701042e-11 -2.26701042e-11 -2.26701042e-11  0.00000000e+00
  0.00000000e+00  4.50452246e-34]
energy per atom =  -4.3909292689583035
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0