element(s):
['Si']
AFLOW prototype label:
A_cI12_229_d
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.7307']
model name:
Sim_LAMMPS_ADP_StarikovGordeevLysogorskiy_2020_SiAuAl__SM_113843830602_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0.25 0.   0.5 ]]
spacegroup =  229
cell =  [[6.7307, 0, 0], [0, 6.7307, 0], [0, 0, 6.7307]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:46:52      -50.243771         0.066771
BFGS:    1 15:46:52      -50.243956         0.062527
BFGS:    2 15:46:52      -50.245164         0.005533
BFGS:    3 15:46:52      -50.245174         0.000204
BFGS:    4 15:46:52      -50.245174         0.000002
BFGS:    5 15:46:52      -50.245174         0.000000
Minimization converged after 5 steps.
Maximum force component: 9.33631663454379e-30 eV/Angstrom
Maximum stress component: 2.665135013538803e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[2.50000000e-01 1.79044439e-36 5.00000000e-01]
 [7.50000000e-01 7.32649843e-33 5.00000000e-01]
 [5.00000000e-01 2.50000000e-01 0.00000000e+00]
 [5.00000000e-01 7.50000000e-01 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 2.50000000e-01]
 [3.23429312e-37 5.00000000e-01 7.50000000e-01]
 [1.54972400e-37 2.50000000e-01 5.00000000e-01]
 [3.29230254e-38 7.50000000e-01 5.00000000e-01]
 [2.50000000e-01 5.00000000e-01 0.00000000e+00]
 [7.50000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 3.66324922e-33 7.50000000e-01]
 [5.00000000e-01 3.66235399e-33 2.50000000e-01]]
cellpar =  Cell([[6.722946680634454, 2.1390162239521934e-32, -3.884610888213378e-33], [2.200130207836829e-32, 6.722946680634454, 1.6360342695107233e-19], [-2.01102305668029e-35, 1.6360342695096956e-19, 6.722946680634454]])
forces =  [[ 1.17394514e-30  2.76222386e-32  6.72189310e-52]
 [-4.97200294e-31  2.76222386e-32  2.55721505e-32]
 [-1.38111193e-32  1.65733431e-31  4.03313586e-51]
 [ 2.76222386e-32 -2.03714009e-31  1.38111193e-32]
 [ 1.38111193e-32 -3.83147907e-50 -1.57446760e-30]
 [-2.76222386e-32  2.76222386e-32  2.26502356e-30]
 [ 2.76222386e-32 -7.40275994e-30  2.58958487e-32]
 [-1.38111193e-32  8.05015615e-30  6.90555964e-33]
 [-1.38111193e-31  2.76222386e-32  2.76222386e-32]
 [ 3.31466863e-31  2.76222386e-32  6.72189310e-52]
 [ 3.15066159e-32 -1.78802356e-49 -7.34751546e-30]
 [-2.76222386e-32  2.76222386e-32  9.33631663e-30]]
stress =  [-2.66513501e-11 -2.66513501e-11 -2.66513501e-11 -1.85381292e-29
  1.00055429e-60 -2.72588652e-60]
energy per atom =  -4.1870978327243495
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0