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 16:31:13      -35.699137         0.268295
BFGS:    1 16:31:13      -35.706448         0.208072
BFGS:    2 16:31:13      -35.713587         0.266755
BFGS:    3 16:31:13      -35.718727         0.284181
BFGS:    4 16:31:13      -35.740421         0.301415
BFGS:    5 16:31:13      -35.758021         0.320792
BFGS:    6 16:31:13      -35.772454         0.240817
BFGS:    7 16:31:14      -35.778951         0.124265
BFGS:    8 16:31:14      -35.780137         0.090451
BFGS:    9 16:31:14      -35.780405         0.076957
BFGS:   10 16:31:14      -35.780852         0.049061
BFGS:   11 16:31:14      -35.781270         0.027128
BFGS:   12 16:31:14      -35.781451         0.012229
BFGS:   13 16:31:14      -35.781479         0.001797
BFGS:   14 16:31:14      -35.781480         0.000353
BFGS:   15 16:31:14      -35.781480         0.000026
BFGS:   16 16:31:14      -35.781480         0.000002
BFGS:   17 16:31:14      -35.781480         0.000000
BFGS:   18 16:31:14      -35.781480         0.000000
Minimization converged after 18 steps.
Maximum force component: 1.8058606551861313e-09 eV/Angstrom
Maximum stress component: 1.484445632618494e-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 1.94382942e-34]
 [1.82330352e-01 1.82330352e-01 4.85957355e-35]
 [1.82330352e-01 8.17669648e-01 3.88765884e-34]
 [8.17669648e-01 1.82330352e-01 4.85957355e-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, 2.806546779734616e-36, 6.253213901666648e-33], [-1.2597375054944688e-36, 6.547137873053506, -5.64265418355918e-18], [1.0681788009741105e-36, -3.088998851736394e-18, 3.9631665719853686]])
forces =  [[ 1.80586066e-09  1.80586066e-09 -1.55638195e-27]
 [-1.80586066e-09 -1.80586066e-09  1.55638462e-27]
 [-1.80586066e-09  1.80586066e-09 -1.55638500e-27]
 [ 1.80586066e-09 -1.80586066e-09  1.55638175e-27]
 [ 1.80586066e-09  1.80586066e-09 -1.55638118e-27]
 [-1.80586066e-09 -1.80586066e-09  1.55638347e-27]
 [-1.80586066e-09  1.80586066e-09 -1.55638653e-27]
 [ 1.80586066e-09 -1.80586066e-09  1.55638195e-27]]
stress =  [ 5.34982852e-11  5.34982852e-11 -1.48444563e-10 -1.27857768e-26
 -1.18759034e-34 -1.35361542e-50]
energy per atom =  -4.472684954982238
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0