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_StarikovLopanitsynaSmirnova_2018_SiAu__SM_985135773293_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 17:19:37      -35.641309        0.7334
BFGS:    1 17:19:37      -35.658625        0.6750
BFGS:    2 17:19:37      -35.717109        0.4187
BFGS:    3 17:19:37      -35.751392        0.3113
BFGS:    4 17:19:37      -35.775132        0.3280
BFGS:    5 17:19:37      -35.790077        0.2915
BFGS:    6 17:19:37      -35.798065        0.3848
BFGS:    7 17:19:37      -35.803206        0.4016
BFGS:    8 17:19:37      -35.808396        0.3802
BFGS:    9 17:19:37      -35.820153        0.3155
BFGS:   10 17:19:37      -35.832389        0.2476
BFGS:   11 17:19:37      -35.844901        0.2242
BFGS:   12 17:19:37      -35.856047        0.1765
BFGS:   13 17:19:37      -35.863760        0.0972
BFGS:   14 17:19:37      -35.865804        0.0171
BFGS:   15 17:19:37      -35.865860        0.0056
BFGS:   16 17:19:37      -35.865874        0.0011
BFGS:   17 17:19:37      -35.865874        0.0002
BFGS:   18 17:19:37      -35.865874        0.0000
BFGS:   19 17:19:37      -35.865874        0.0000
BFGS:   20 17:19:37      -35.865874        0.0000
Minimization converged after 20 steps.
Maximum force component: 2.1127441332882696e-10 eV/Angstrom
Maximum stress component: 2.2846083265124703e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[8.16507532e-01 8.16507532e-01 0.00000000e+00]
 [1.83492468e-01 1.83492468e-01 1.55381577e-33]
 [1.83492468e-01 8.16507532e-01 0.00000000e+00]
 [8.16507532e-01 1.83492468e-01 1.55381577e-33]
 [3.16507532e-01 3.16507532e-01 5.00000000e-01]
 [6.83492468e-01 6.83492468e-01 5.00000000e-01]
 [6.83492468e-01 3.16507532e-01 5.00000000e-01]
 [3.16507532e-01 6.83492468e-01 5.00000000e-01]]
cellpar =  Cell([[6.382681099173523, -1.7356881655427688e-37, 2.404665301184467e-34], [5.1852775366962405e-37, 6.382681099173523, -9.479292758345674e-17], [4.8523841022457725e-32, -5.238239931175032e-17, 3.966349131875567]])
forces =  [[ 2.11274413e-10  2.11274413e-10 -3.13773535e-27]
 [-2.11274413e-10 -2.11274413e-10  3.13775369e-27]
 [-2.11274413e-10  2.11274413e-10 -3.13775980e-27]
 [ 2.11274413e-10 -2.11274413e-10  3.13773535e-27]
 [ 2.11274413e-10  2.11274413e-10 -3.13775369e-27]
 [-2.11274413e-10 -2.11274413e-10  3.13773535e-27]
 [-2.11274413e-10  2.11274413e-10 -3.13773535e-27]
 [ 2.11274413e-10 -2.11274413e-10  3.13775980e-27]]
stress =  [ 2.79057406e-12  2.79057406e-12 -2.28460833e-11 -1.48833937e-27
 -1.42071885e-43 -7.66098392e-60]
energy per atom =  -4.483234295918369
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0