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_StarikovLopanitsynaSmirnova_2018_SiAu__SM_985135773293_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 15:42:44      -36.949082         0.531912
BFGS:    1 15:42:44      -36.960732         0.490067
BFGS:    2 15:42:44      -37.013407         0.210772
BFGS:    3 15:42:45      -37.025086         0.004939
BFGS:    4 15:42:45      -37.025092         0.000047
BFGS:    5 15:42:45      -37.025092         0.000000
BFGS:    6 15:42:45      -37.025092         0.000000
Minimization converged after 6 steps.
Maximum force component: 1.1376447573250713e-31 eV/Angstrom
Maximum stress component: 1.4549947599389917e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[0.00000000e+00 6.46171029e-34 3.53909712e-34]
 [1.29546975e-34 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 2.45945624e-35]
 [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([[5.402734115476449, 7.605577303521343e-34, 1.7251641312481759e-34], [-1.5211155066856938e-33, 5.402734115476449, -1.2063620940321237e-21], [-2.770380964977149e-33, -1.2063620940348006e-21, 5.402734115476449]])
forces =  [[-4.43958930e-32 -2.49726898e-32  5.27201229e-32]
 [ 1.73421457e-33  5.54948662e-32  4.78643221e-32]
 [-2.21979465e-32 -1.66484599e-32  1.10989732e-32]
 [-1.47517232e-66  2.08105748e-33  1.73421457e-33]
 [ 5.54948662e-33  1.85869510e-54 -8.32422993e-33]
 [-2.21979465e-32  2.77474331e-32 -1.13764476e-31]
 [-3.88464063e-32 -1.66484599e-32 -1.17926591e-32]
 [ 1.10989732e-32 -1.38737166e-33 -1.94232032e-32]]
stress =  [-1.45499476e-13 -1.45499476e-13 -1.45499476e-13 -5.74673741e-29
 -3.03016513e-62  3.95415944e-63]
energy per atom =  -4.628136528883456
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0