element(s):
['Si']
AFLOW prototype label:
A_tI8_139_h
Parameter names:
['a', 'c/a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.6881', '0.57703982', '0.8213634']
model name:
Sim_LAMMPS_MEAM_CuiGaoCui_2012_LiSi__SM_562938628131_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0.8213634 0.8213634 0.       ]]
spacegroup =  139
cell =  [[6.6881, 0, 0], [0, 6.6881, 0], [0, 0, 3.8593]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:20:35      -34.427746        1.0564
BFGS:    1 17:20:35      -34.472911        0.7388
BFGS:    2 17:20:35      -34.483428        0.5596
BFGS:    3 17:20:35      -34.494611        0.3559
BFGS:    4 17:20:35      -34.509907        0.2786
BFGS:    5 17:20:35      -34.518129        0.1468
BFGS:    6 17:20:35      -34.519748        0.0349
BFGS:    7 17:20:35      -34.519827        0.0269
BFGS:    8 17:20:35      -34.519857        0.0224
BFGS:    9 17:20:35      -34.519916        0.0157
BFGS:   10 17:20:35      -34.519963        0.0144
BFGS:   11 17:20:35      -34.519982        0.0055
BFGS:   12 17:20:35      -34.519984        0.0008
BFGS:   13 17:20:35      -34.519984        0.0001
BFGS:   14 17:20:35      -34.519984        0.0000
BFGS:   15 17:20:35      -34.519984        0.0000
BFGS:   16 17:20:35      -34.519984        0.0000
Minimization converged after 16 steps.
Maximum force component: 5.259864685052158e-10 eV/Angstrom
Maximum stress component: 5.47718008521645e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[8.20918729e-01 8.20918729e-01 0.00000000e+00]
 [1.79081271e-01 1.79081271e-01 5.08471575e-35]
 [1.79081271e-01 8.20918729e-01 0.00000000e+00]
 [8.20918729e-01 1.79081271e-01 0.00000000e+00]
 [3.20918729e-01 3.20918729e-01 5.00000000e-01]
 [6.79081271e-01 6.79081271e-01 5.00000000e-01]
 [6.79081271e-01 3.20918729e-01 5.00000000e-01]
 [3.20918729e-01 6.79081271e-01 5.00000000e-01]]
cellpar =  Cell([[6.687090750995342, -2.6770751012579245e-37, -3.99407153099138e-34], [2.994338874037711e-36, 6.687090750995341, -6.6697314908716144e-18], [1.5664148450621836e-32, -3.7925048428573526e-18, 3.787684579750238]])
forces =  [[ 5.25986469e-10  5.25986469e-10 -5.24434294e-28]
 [-5.25986469e-10 -5.25986469e-10  5.24621041e-28]
 [-5.25986469e-10  5.25986469e-10 -5.24621041e-28]
 [ 5.25986469e-10 -5.25986469e-10  5.24434294e-28]
 [ 5.25986469e-10  5.25986469e-10 -5.24527668e-28]
 [-5.25986469e-10 -5.25986469e-10  5.24667728e-28]
 [-5.25986469e-10  5.25986469e-10 -5.24621041e-28]
 [ 5.25986469e-10 -5.25986469e-10  5.24527668e-28]]
stress =  [ 3.68888741e-11  3.68888741e-11 -5.47718009e-11 -2.11643918e-26
  2.88943586e-34  9.51122675e-50]
energy per atom =  -4.3149980232849
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0