element(s):
['Si']
AFLOW prototype label:
A_cF8_227_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.4673']
model name:
Sim_LAMMPS_ADP_StarikovGordeevLysogorskiy_2020_SiAuAl__SM_113843830602_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0 0 0]]
spacegroup =  227
cell =  [[5.4673, 0, 0], [0, 5.4673, 0], [0, 0, 5.4673]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:28:58      -36.799662        0.0222
BFGS:    1 17:28:58      -36.799683        0.0206
BFGS:    2 17:28:58      -36.799819        0.0021
BFGS:    3 17:28:58      -36.799820        0.0003
BFGS:    4 17:28:58      -36.799820        0.0000
BFGS:    5 17:28:58      -36.799820        0.0000
BFGS:    6 17:28:58      -36.799820        0.0000
Minimization converged after 6 steps.
Maximum force component: 6.734713121117405e-32 eV/Angstrom
Maximum stress component: 1.109700770191981e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[0.00000000e+00 3.33827858e-33 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]]
cellpar =  Cell([[5.463848403423623, 1.8800896109902824e-34, -5.289072238214868e-33], [7.835409469477674e-40, 5.463848403423623, 4.15223777167543e-20], [3.121756581597992e-34, 4.1522377716753173e-20, 5.463848403423623]])
forces =  [[-4.20919570e-33  2.44659500e-32 -2.24490437e-32]
 [ 6.31379355e-32 -3.36735656e-32  2.24490437e-32]
 [-4.48980875e-32  8.53004700e-53  1.12245219e-32]
 [ 4.48980875e-32 -2.52551742e-32  4.20919570e-32]
 [-4.48980875e-32 -2.24490437e-32 -5.61226093e-33]
 [ 4.55996201e-32 -2.24490437e-32  6.73471312e-32]
 [-3.36735656e-32  6.03318050e-32  5.61226093e-33]
 [ 3.82291393e-72  2.66582394e-32  2.02588616e-52]]
stress =  [ 1.10970077e-13  1.10970077e-13  1.10970077e-13 -2.48715111e-29
  1.37626455e-34 -1.60073522e-50]
energy per atom =  -4.599977561124165
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0