element(s):
['Si']
AFLOW prototype label:
A_tI8_139_h
Parameter names:
['a', 'c/a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.6881', '0.57703982', '0.8213634']
model name:
Sim_LAMMPS_ADP_StarikovGordeevLysogorskiy_2020_SiAuAl__SM_113843830602_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0.8213634 0.8213634 0.       ]]
spacegroup =  139
cell =  [[6.6881, 0, 0], [0, 6.6881, 0], [0, 0, 3.8593]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 10:49:33      -35.699137         0.268295
BFGS:    1 10:49:34      -35.706448         0.208072
BFGS:    2 10:49:34      -35.713587         0.266755
BFGS:    3 10:49:34      -35.718727         0.284181
BFGS:    4 10:49:34      -35.740421         0.301415
BFGS:    5 10:49:34      -35.758021         0.320792
BFGS:    6 10:49:35      -35.772454         0.240817
BFGS:    7 10:49:35      -35.778951         0.124265
BFGS:    8 10:49:35      -35.780137         0.090451
BFGS:    9 10:49:35      -35.780405         0.076957
BFGS:   10 10:49:35      -35.780852         0.049061
BFGS:   11 10:49:36      -35.781270         0.027128
BFGS:   12 10:49:36      -35.781451         0.012229
BFGS:   13 10:49:36      -35.781479         0.001797
BFGS:   14 10:49:36      -35.781480         0.000353
BFGS:   15 10:49:36      -35.781480         0.000026
BFGS:   16 10:49:36      -35.781480         0.000002
BFGS:   17 10:49:37      -35.781480         0.000000
BFGS:   18 10:49:37      -35.781480         0.000000
Minimization converged after 18 steps.
Maximum force component: 1.8058620895042901e-09 eV/Angstrom
Maximum stress component: 1.4844545882129963e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[8.17669648e-01 8.17669648e-01 1.21489339e-34]
 [1.82330352e-01 1.82330352e-01 0.00000000e+00]
 [1.82330352e-01 8.17669648e-01 7.28936032e-35]
 [8.17669648e-01 1.82330352e-01 3.03723347e-35]
 [3.17669648e-01 3.17669648e-01 5.00000000e-01]
 [6.82330352e-01 6.82330352e-01 5.00000000e-01]
 [6.82330352e-01 3.17669648e-01 5.00000000e-01]
 [3.17669648e-01 6.82330352e-01 5.00000000e-01]]
cellpar =  Cell([[6.547137873053504, -2.1607335846940034e-36, 1.8507222093613084e-36], [-4.0884570215319454e-36, 6.547137873053503, -1.059752975373067e-18], [-9.406281800033096e-34, -6.386140984285475e-19, 3.963166571985367]])
forces =  [[ 1.80586209e-09  1.80586209e-09 -2.92306006e-28]
 [-1.80586209e-09 -1.80586209e-09  2.92306006e-28]
 [-1.80586209e-09  1.80586209e-09 -2.92318218e-28]
 [ 1.80586209e-09 -1.80586209e-09  2.92306006e-28]
 [ 1.80586209e-09  1.80586209e-09 -2.92306006e-28]
 [-1.80586209e-09 -1.80586209e-09  2.92306006e-28]
 [-1.80586209e-09  1.80586209e-09 -2.92306006e-28]
 [ 1.80586209e-09 -1.80586209e-09  2.92306006e-28]]
stress =  [ 5.34978044e-11  5.34978044e-11 -1.48445459e-10  1.08160491e-26
  2.56072479e-44 -1.18789798e-60]
energy per atom =  -4.472684954982237
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.