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_DuLenoskyHennig_2011_Si__SM_662785656123_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 15:32:18      -51.606130         0.497757
BFGS:    1 15:32:18      -51.616485         0.473066
BFGS:    2 15:32:18      -51.674156         0.294419
BFGS:    3 15:32:18      -51.704381         0.107174
BFGS:    4 15:32:18      -51.708840         0.003745
BFGS:    5 15:32:18      -51.708845         0.000044
BFGS:    6 15:32:18      -51.708845         0.000000
BFGS:    7 15:32:18      -51.708845         0.000000
Minimization converged after 7 steps.
Maximum force component: 3.0077856594125615e-31 eV/Angstrom
Maximum stress component: 3.229985367317032e-15 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 7.35053937e-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]
 [0.00000000e+00 5.00000000e-01 7.50000000e-01]
 [0.00000000e+00 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 3.58845229e-33 7.50000000e-01]
 [5.00000000e-01 3.70420882e-33 2.50000000e-01]]
cellpar =  Cell([[6.655106263003103, 3.2405740463691466e-33, -1.6333282841549267e-34], [-9.879420119650216e-33, 6.655106263003103, -5.346469862969589e-18], [-4.6431697712675286e-33, -5.346469862969691e-18, 6.655106263003103]])
forces =  [[ 1.64061036e-31 -1.36717530e-32 -5.12690737e-33]
 [ 1.77732789e-31  4.10152590e-32  5.12690737e-33]
 [-6.83587650e-33 -1.36717530e-31 -4.10152590e-32]
 [ 6.83587650e-33  3.00778566e-31  4.78511355e-32]
 [-4.10152590e-32  6.83587650e-33 -6.32318576e-32]
 [ 4.10152590e-32  5.98139194e-33 -2.18748048e-31]
 [-6.83587650e-33 -1.91404542e-31  2.22165986e-32]
 [-6.83587650e-33 -8.20305180e-32 -2.05076295e-32]
 [-8.20305180e-32  2.05076295e-32 -6.83587650e-33]
 [-6.83587650e-32 -1.70896912e-32 -6.83587650e-33]
 [-1.70896912e-32 -1.53767434e-49  1.91404542e-31]
 [ 1.70896912e-32 -1.36717530e-32  7.43401569e-32]]
stress =  [-3.22998537e-15 -3.22998537e-15 -3.22998537e-15 -4.06228517e-31
  4.40638891e-34  6.27848363e-50]
energy per atom =  -4.309070440408748
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0