element(s):
['Si']
AFLOW prototype label:
A_cI12_229_d
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.7307']
model name:
Sim_LAMMPS_ADP_StarikovLopanitsynaSmirnova_2018_SiAu__SM_985135773293_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0.25 0.   0.5 ]]
spacegroup =  229
cell =  [[6.7307, 0, 0], [0, 6.7307, 0], [0, 0, 6.7307]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:33:56      -50.050927        0.3030
BFGS:    1 17:33:56      -50.054769        0.2889
BFGS:    2 17:33:57      -50.085574        0.1215
BFGS:    3 17:33:57      -50.092195        0.0001
BFGS:    4 17:33:57      -50.092195        0.0000
BFGS:    5 17:33:57      -50.092195        0.0000
Minimization converged after 5 steps.
Maximum force component: 9.9900646615694e-30 eV/Angstrom
Maximum stress component: 5.944274344852518e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[2.50000000e-01 0.00000000e+00 5.00000000e-01]
 [7.50000000e-01 7.32509636e-33 5.00000000e-01]
 [5.00000000e-01 2.50000000e-01 9.00995862e-37]
 [5.00000000e-01 7.50000000e-01 3.60398345e-36]
 [7.17019593e-49 5.00000000e-01 2.50000000e-01]
 [1.12674507e-48 5.00000000e-01 7.50000000e-01]
 [5.63372537e-49 2.50000000e-01 5.00000000e-01]
 [8.19450963e-49 7.50000000e-01 5.00000000e-01]
 [2.50000000e-01 5.00000000e-01 3.60398345e-36]
 [7.50000000e-01 5.00000000e-01 3.60398345e-36]
 [5.00000000e-01 3.66525117e-33 7.50000000e-01]
 [5.00000000e-01 3.66254818e-33 2.50000000e-01]]
cellpar =  Cell([[6.679865387898342, 4.184025146114138e-32, -6.81025440154874e-33], [9.841352330611895e-33, 6.679865387898342, 1.8481928193921292e-19], [3.749789245289773e-32, 1.848192819390641e-19, 6.679865387898342]])
forces =  [[-4.94014187e-31 -3.09432550e-63  5.03657199e-64]
 [-8.23356978e-31 -5.15720916e-63  8.39428664e-64]
 [-1.29390968e-63 -8.78247443e-31 -2.42994510e-50]
 [-1.29390968e-63 -8.78247443e-31 -2.42994510e-50]
 [ 1.49443764e-62  7.36577109e-50  2.66218756e-30]
 [-6.77889240e-63 -3.34117451e-50 -1.20759023e-30]
 [-1.34243130e-62 -9.11181722e-30 -2.52106804e-49]
 [ 1.47182227e-62  9.99006466e-30  2.76406255e-49]
 [ 6.31240349e-31  3.95386036e-63 -6.43561976e-64]
 [ 7.68466512e-31  4.81339522e-63 -7.83466753e-64]
 [-5.48474022e-62 -2.70331392e-49 -9.77050280e-30]
 [ 5.34608105e-62  2.63497172e-49  9.52349571e-30]]
stress =  [-5.94427434e-12 -5.94427434e-12 -5.94427434e-12  2.22798027e-29
  1.15099595e-35 -1.33314074e-52]
energy per atom =  -4.17434956851522
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0