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 17:19:38      -35.699137        0.2683
BFGS:    1 17:19:38      -35.706448        0.2081
BFGS:    2 17:19:38      -35.713587        0.2668
BFGS:    3 17:19:38      -35.718727        0.2842
BFGS:    4 17:19:38      -35.740421        0.3014
BFGS:    5 17:19:38      -35.758021        0.3208
BFGS:    6 17:19:38      -35.772454        0.2408
BFGS:    7 17:19:38      -35.778951        0.1243
BFGS:    8 17:19:38      -35.780137        0.0905
BFGS:    9 17:19:38      -35.780405        0.0770
BFGS:   10 17:19:38      -35.780852        0.0491
BFGS:   11 17:19:38      -35.781270        0.0271
BFGS:   12 17:19:38      -35.781451        0.0122
BFGS:   13 17:19:38      -35.781479        0.0018
BFGS:   14 17:19:38      -35.781480        0.0004
BFGS:   15 17:19:38      -35.781480        0.0000
BFGS:   16 17:19:38      -35.781480        0.0000
BFGS:   17 17:19:38      -35.781480        0.0000
BFGS:   18 17:19:38      -35.781480        0.0000
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.
Successfully added property instance for parameter set 0