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 16:27:56      -36.799662         0.022195
BFGS:    1 16:27:56      -36.799683         0.020629
BFGS:    2 16:27:56      -36.799819         0.002059
BFGS:    3 16:27:57      -36.799820         0.000339
BFGS:    4 16:27:57      -36.799820         0.000007
BFGS:    5 16:27:57      -36.799820         0.000000
BFGS:    6 16:27:57      -36.799820         0.000000
Minimization converged after 6 steps.
Maximum force component: 2.0204139363352217e-31 eV/Angstrom
Maximum stress component: 1.1127465408871577e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[0.00000000e+00 0.00000000e+00 1.20699280e-33]
 [2.56794417e-34 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.18523410e-33]
 [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([[5.463848403423624, -3.00788009865006e-33, 1.0356110355578728e-32], [2.2559190297508058e-33, 5.463848403423624, -7.014575777821337e-20], [-8.876917574427956e-34, -7.014575777819683e-20, 5.463848403423624]])
forces =  [[ 2.80613047e-32  2.10459785e-32 -1.34694262e-31]
 [ 2.02041394e-31 -2.24490437e-32  1.56792540e-31]
 [-2.24490437e-32  2.24490437e-32 -2.24490437e-32]
 [-2.24490437e-32  2.80613047e-32 -6.94517291e-32]
 [-5.61226093e-32  2.16153305e-52 -1.68367828e-32]
 [-2.24490437e-32 -3.36735656e-32 -8.97961749e-32]
 [ 5.33164789e-32 -1.02862220e-31 -5.61226093e-33]
 [-2.24490437e-32 -1.68367828e-32  2.16153305e-52]]
stress =  [1.11274654e-13 1.11274654e-13 1.11274654e-13 2.80967641e-29
 1.37626455e-34 4.99047934e-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