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_StarikovLopanitsynaSmirnova_2018_SiAu__SM_985135773293_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 16:31:46      -50.050927         0.302963
BFGS:    1 16:31:46      -50.054769         0.288887
BFGS:    2 16:31:46      -50.085574         0.121455
BFGS:    3 16:31:46      -50.092195         0.000116
BFGS:    4 16:31:46      -50.092195         0.000002
BFGS:    5 16:31:46      -50.092195         0.000000
Minimization converged after 5 steps.
Maximum force component: 1.1801450012293528e-30 eV/Angstrom
Maximum stress component: 5.943799440972219e-12 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 0.00000000e+00 5.00000000e-01]
 [7.50000000e-01 7.35212624e-33 5.00000000e-01]
 [5.00000000e-01 2.50000000e-01 1.44159338e-35]
 [5.00000000e-01 7.50000000e-01 0.00000000e+00]
 [1.53647056e-49 5.00000000e-01 2.50000000e-01]
 [1.28039213e-49 5.00000000e-01 7.50000000e-01]
 [1.66450977e-49 2.50000000e-01 5.00000000e-01]
 [3.07294111e-49 7.50000000e-01 5.00000000e-01]
 [2.50000000e-01 5.00000000e-01 0.00000000e+00]
 [7.50000000e-01 5.00000000e-01 2.88318676e-35]
 [5.00000000e-01 3.69047905e-33 7.50000000e-01]
 [5.00000000e-01 3.67606312e-33 2.50000000e-01]]
cellpar =  Cell([[6.679865387898345, -8.61489723025319e-33, -8.847438042842717e-34], [2.4679617369683574e-33, 6.679865387898345, -1.8883383342975434e-18], [-9.98044729397953e-33, -1.8883383342976236e-18, 6.679865387898345]])
forces =  [[ 2.47007093e-31 -6.86130815e-33  1.12032297e-32]
 [ 1.71532704e-31 -1.93963058e-51  6.86130815e-33]
 [ 1.11496257e-32  8.47371556e-31 -2.39544377e-49]
 [ 6.86130815e-33 -8.23356978e-31  2.32755670e-49]
 [-6.86130815e-33 -1.28649528e-32 -6.58685582e-31]
 [-6.53563726e-64  6.86130815e-33  4.39123721e-31]
 [ 3.43065407e-33 -3.08758867e-31  1.28649528e-33]
 [ 1.02919622e-32 -1.18014500e-30  3.33616460e-49]
 [-1.23503547e-31  1.28649528e-33  3.43065407e-33]
 [ 6.17517733e-32 -6.86130815e-33  1.02919622e-32]
 [-5.68202081e-33  6.86130815e-33  1.57810087e-31]
 [ 8.20123405e-64  1.55170447e-49 -5.48904652e-31]]
stress =  [-5.94379944e-12 -5.94379944e-12 -5.94379944e-12 -7.69265350e-28
  1.66894413e-34 -2.20542579e-50]
energy per atom =  -4.174349568515221
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0