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 16:27:55      -36.949082         0.531912
BFGS:    1 16:27:55      -36.960732         0.490067
BFGS:    2 16:27:55      -37.013407         0.210772
BFGS:    3 16:27:56      -37.025086         0.004939
BFGS:    4 16:27:56      -37.025092         0.000047
BFGS:    5 16:27:56      -37.025092         0.000000
BFGS:    6 16:27:56      -37.025092         0.000000
Minimization converged after 6 steps.
Maximum force component: 8.324229931646864e-32 eV/Angstrom
Maximum stress component: 1.4549798733836428e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[1.30439111e-34 1.03316567e-33 9.14887602e-34]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.42589282e-34]
 [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, 9.304797593762931e-38, 8.531633215912251e-33], [3.786753185401215e-34, 5.402734115476449, 6.072270289730828e-18], [-1.0869483372424265e-32, 6.0722702897308315e-18, 5.402734115476449]])
forces =  [[-1.38737166e-32  2.49726898e-32 -4.99453796e-32]
 [ 2.54929542e-32  1.10989732e-32  6.74609467e-32]
 [ 1.10989732e-32  3.32969197e-32  5.54948662e-33]
 [ 1.10989732e-32 -3.38171841e-32  3.22563910e-32]
 [ 8.32422993e-32 -5.54948662e-33 -2.04637319e-32]
 [-4.71706363e-32  3.05221764e-32  1.66484599e-32]
 [-8.32422993e-33 -8.32422993e-33 -5.06390654e-32]
 [ 5.27201229e-32 -2.35853181e-32 -6.10443528e-32]]
stress =  [-1.45497987e-13 -1.45497987e-13 -1.45497987e-13 -3.72270549e-29
  7.03788261e-35  1.81779346e-50]
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