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_MEAM_CuiGaoCui_2012_LiSi__SM_562938628131_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      -46.154149        0.5428
BFGS:    1 17:33:56      -46.166514        0.5202
BFGS:    2 17:33:57      -46.232965        0.3631
BFGS:    3 17:33:57      -46.274885        0.1945
BFGS:    4 17:33:57      -46.291067        0.0206
BFGS:    5 17:33:57      -46.291247        0.0002
BFGS:    6 17:33:57      -46.291247        0.0000
BFGS:    7 17:33:57      -46.291247        0.0000
Minimization converged after 7 steps.
Maximum force component: 6.49194058536926e-30 eV/Angstrom
Maximum stress component: 9.5519165388287e-14 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 5.80192495e-35 5.00000000e-01]
 [7.50000000e-01 7.36844469e-33 5.00000000e-01]
 [5.00000000e-01 2.50000000e-01 5.80192495e-35]
 [5.00000000e-01 7.50000000e-01 0.00000000e+00]
 [4.12251563e-49 5.00000000e-01 2.50000000e-01]
 [4.12251563e-49 5.00000000e-01 7.50000000e-01]
 [4.12251563e-49 2.50000000e-01 5.00000000e-01]
 [4.12251563e-49 7.50000000e-01 5.00000000e-01]
 [2.50000000e-01 5.00000000e-01 0.00000000e+00]
 [7.50000000e-01 5.00000000e-01 1.16038499e-34]
 [5.00000000e-01 3.36511647e-33 7.50000000e-01]
 [5.00000000e-01 3.68422234e-33 2.50000000e-01]]
cellpar =  Cell([[6.638934356724177, -1.459757630585877e-32, 2.0193995827800688e-32], [-2.5938961576373647e-32, 6.638934356724177, 5.6011116814224906e-18], [2.3456341595901802e-32, 5.60111168142237e-18, 6.638934356724177]])
forces =  [[-8.18311838e-31 -6.39306124e-33 -5.39367435e-51]
 [-4.90987103e-31  2.13102041e-34  1.79789145e-52]
 [-2.54128296e-62  6.49194059e-30 -1.36385306e-32]
 [ 1.85469101e-62 -4.74620866e-30  8.52408165e-34]
 [-1.36385306e-32 -3.63605567e-48 -4.30977568e-30]
 [ 6.39306124e-34  4.92478426e-48  5.83729111e-30]
 [ 6.83279098e-63 -1.74573192e-30  3.40963266e-33]
 [-3.40963266e-33  2.72770613e-30 -1.36385306e-32]
 [-7.09203593e-31  7.19156581e-52  8.52408165e-34]
 [-2.72770613e-31 -6.81926532e-33 -1.70481633e-33]
 [-1.36385306e-32 -1.70481633e-33 -1.63662368e-30]
 [ 6.26180637e-63  6.39306124e-34  1.77300898e-30]]
stress =  [ 9.55191654e-14  9.55191654e-14  9.55191654e-14 -3.83400499e-29
  9.32185742e-35 -1.87035198e-50]
energy per atom =  -3.8576039552361094
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0