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 16:32:11      -46.154149         0.542814
BFGS:    1 16:32:11      -46.166514         0.520177
BFGS:    2 16:32:11      -46.232965         0.363119
BFGS:    3 16:32:11      -46.274885         0.194549
BFGS:    4 16:32:11      -46.291067         0.020585
BFGS:    5 16:32:11      -46.291247         0.000226
BFGS:    6 16:32:11      -46.291247         0.000000
BFGS:    7 16:32:11      -46.291247         0.000000
Minimization converged after 7 steps.
Maximum force component: 1.6025273503800173e-30 eV/Angstrom
Maximum stress component: 9.615806082077798e-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 2.72871783e-34 5.00000000e-01]
 [7.50000000e-01 7.46453907e-33 5.00000000e-01]
 [5.00000000e-01 2.50000000e-01 1.92642039e-34]
 [5.00000000e-01 7.50000000e-01 4.22452660e-34]
 [0.00000000e+00 5.00000000e-01 2.50000000e-01]
 [3.84974400e-37 5.00000000e-01 7.50000000e-01]
 [5.27013301e-37 2.50000000e-01 5.00000000e-01]
 [0.00000000e+00 7.50000000e-01 5.00000000e-01]
 [2.50000000e-01 5.00000000e-01 3.98882340e-35]
 [7.50000000e-01 5.00000000e-01 3.48115497e-34]
 [5.00000000e-01 4.14656324e-33 7.50000000e-01]
 [5.00000000e-01 3.75629313e-33 2.50000000e-01]]
cellpar =  Cell([[6.63893435672418, -1.980450214385574e-32, -8.403064962820261e-33], [-8.510492294030778e-33, 6.63893435672418, 8.674435678614144e-20], [-1.0298537704634745e-31, 8.67443567861375e-20, 6.63893435672418]])
forces =  [[-1.19337143e-31  6.81926532e-33  8.91005623e-53]
 [-1.36385306e-32  2.04577960e-32 -2.30150205e-32]
 [ 5.11444899e-33 -1.40476866e-30  3.40963266e-33]
 [-2.72770613e-32  1.43204572e-30  2.04577960e-32]
 [ 6.81926532e-33  1.56816990e-50  1.20019070e-30]
 [ 2.04577960e-32 -4.26204083e-32 -1.39113013e-30]
 [-3.06866939e-32 -1.13199804e-30  1.53433470e-32]
 [-1.31301459e-63  8.59227430e-31  1.36385306e-32]
 [ 1.22746776e-31  1.36385306e-32 -6.81926532e-33]
 [-1.22746776e-31 -2.51393814e-33 -1.70481633e-33]
 [-5.11444899e-32 -1.96021237e-50 -1.50023837e-30]
 [ 1.36385306e-32 -3.40963266e-32  1.60252735e-30]]
stress =  [ 9.61580608e-14  9.61580608e-14  9.61580608e-14 -4.97535271e-29
  1.86437148e-34 -6.92075722e-50]
energy per atom =  -3.857603955236106
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0