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_GWZBL_Samolyuk_2016_SiC__SM_720598599889_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 16:27:57      -14.518959        14.368876
BFGS:    1 16:27:57      -16.575320        12.964183
BFGS:    2 16:27:57      -18.385955        11.114936
BFGS:    3 16:27:57      -19.894645         8.962789
BFGS:    4 16:27:57      -21.067079         6.656220
BFGS:    5 16:27:58      -21.891018         4.339303
BFGS:    6 16:27:58      -22.374880         2.141842
BFGS:    7 16:27:58      -22.544227         0.217680
BFGS:    8 16:27:58      -22.546163         0.017125
BFGS:    9 16:27:58      -22.546176         0.000176
BFGS:   10 16:27:58      -22.546176         0.000000
BFGS:   11 16:27:58      -22.546176         0.000000
Minimization converged after 11 steps.
Maximum force component: 4.83011910565657e-31 eV/Angstrom
Maximum stress component: 6.930538765033376e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [1.21773378e-33 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [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([[5.224877553885346, -1.581762957191692e-33, -3.9574087138177916e-33], [-1.8738990365069337e-34, 5.224877553885346, 7.976809600376091e-18], [-1.1821275219606415e-32, 7.976809600376074e-18, 5.224877553885346]])
forces =  [[-2.77993330e-64  9.12355831e-32  1.21423828e-31]
 [ 6.70849876e-32 -1.07335980e-31 -1.28803176e-31]
 [ 4.29343921e-32 -1.44903573e-31  8.58687841e-32]
 [-2.14671960e-32  4.83011911e-31 -1.44903573e-31]
 [-1.74420968e-32 -3.86409528e-31  2.14671960e-31]
 [ 5.90347891e-32 -2.14671960e-32 -8.58687841e-32]
 [ 7.51351861e-32  2.52239553e-31  6.44015881e-32]
 [ 1.18069578e-31 -4.29343921e-32 -1.93204764e-31]]
stress =  [ 6.93053877e-14  6.93053877e-14  6.93053877e-14 -3.16088970e-29
 -1.80604354e-33  1.98851248e-49]
energy per atom =  -2.818271942675796
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0