element(s):
['Si']
AFLOW prototype label:
A_cF4_225_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.868']
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 =  225
cell =  [[3.868, 0, 0], [0, 3.868, 0], [0, 0, 3.868]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:16:03      -12.791852       11.2082
BFGS:    1 17:16:03      -13.727513        3.8684
BFGS:    2 17:16:03      -13.978707        2.3982
BFGS:    3 17:16:03      -14.137689        0.3334
BFGS:    4 17:16:03      -14.141924        0.1049
BFGS:    5 17:16:03      -14.142546        0.0276
BFGS:    6 17:16:03      -14.142584        0.0055
BFGS:    7 17:16:03      -14.142591        0.0111
BFGS:    8 17:16:03      -14.142604        0.0024
BFGS:    9 17:16:03      -14.142604        0.0026
BFGS:   10 17:16:03      -14.142604        0.0001
BFGS:   11 17:16:03      -14.142604        0.0000
BFGS:   12 17:16:03      -14.142604        0.0000
BFGS:   13 17:16:03      -14.142604        0.0000
Minimization converged after 13 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.821052166201427e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [1.37014421e-48 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 3.85661309e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 3.85661309e-34]]
cellpar =  Cell([[3.9950700777049657, 2.5301621115443188e-33, 2.096581053652566e-32], [6.143881846925755e-32, 3.9950700777049657, -7.310587368367316e-18], [-4.2083951979169114e-32, -7.310587368367279e-18, 3.9950700777049657]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.82105217e-13 -3.82105217e-13 -3.82105217e-13 -1.64350052e-29
  4.98760570e-34  1.36210643e-50]
energy per atom =  -3.535650955024584
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0