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:
MEAM_LAMMPS_CuiGaoCui_2012_LiSi__MO_557492625287_002
==== 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 20:42:14      -46.154149         0.542814
BFGS:    1 20:42:14      -46.166514         0.520177
BFGS:    2 20:42:14      -46.232965         0.363119
BFGS:    3 20:42:14      -46.274885         0.194549
BFGS:    4 20:42:15      -46.291067         0.020585
BFGS:    5 20:42:15      -46.291247         0.000226
BFGS:    6 20:42:15      -46.291247         0.000000
BFGS:    7 20:42:15      -46.291247         0.000000
Minimization converged after 7 steps.
Maximum force component: 1.1933714311340557e-30 eV/Angstrom
Maximum stress component: 9.637862771709376e-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 0.00000000e+00 5.00000000e-01]
 [7.50000000e-01 7.31042544e-33 5.00000000e-01]
 [5.00000000e-01 2.50000000e-01 0.00000000e+00]
 [5.00000000e-01 7.50000000e-01 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 2.50000000e-01]
 [3.09188672e-49 5.00000000e-01 7.50000000e-01]
 [1.54594336e-49 2.50000000e-01 5.00000000e-01]
 [0.00000000e+00 7.50000000e-01 5.00000000e-01]
 [2.50000000e-01 5.00000000e-01 0.00000000e+00]
 [7.50000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 3.65521272e-33 7.50000000e-01]
 [5.00000000e-01 3.64796031e-33 2.50000000e-01]]
cellpar =  Cell([[6.638934356724181, -9.901769613769991e-33, -4.9682712960455223e-33], [3.646039343536108e-33, 6.638934356724181, 1.4211933968961825e-18], [2.1181321318636018e-32, 1.4211933968960737e-18, 6.638934356724181]])
forces =  [[ 2.72770613e-31 -2.72770613e-32 -2.72770613e-32]
 [ 8.35360002e-31 -4.09155919e-32 -8.75878054e-51]
 [-2.72770613e-32  9.27420084e-31 -4.09155919e-32]
 [ 1.36385306e-32 -1.09108245e-30 -2.33567481e-49]
 [-4.09155919e-32 -2.72770613e-32 -8.11492573e-31]
 [ 6.81926532e-33  2.55464433e-49  1.19337143e-30]
 [ 1.36385306e-32  7.36480655e-31  1.57658050e-49]
 [-2.72770613e-32 -3.00047674e-31 -4.09155919e-32]
 [ 5.45541226e-32  4.09155919e-32  8.75878054e-51]
 [ 1.22746776e-31 -4.09155919e-32 -2.04577960e-32]
 [-4.09155919e-32 -2.38674286e-32  3.34144001e-31]
 [-1.69701963e-63 -1.13864147e-49 -5.31902695e-31]]
stress =  [ 9.63786277e-14  9.63786277e-14  9.63786277e-14 -5.04494944e-29
 -4.66092871e-34  5.50231335e-50]
energy per atom =  -3.857603955236104
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0