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_DuLenoskyHennig_2011_Si__MO_883726743759_001
==== 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 15:46:20      -51.606130         0.497757
BFGS:    1 15:46:20      -51.616485         0.473066
BFGS:    2 15:46:20      -51.674156         0.294419
BFGS:    3 15:46:20      -51.704381         0.107174
BFGS:    4 15:46:20      -51.708840         0.003745
BFGS:    5 15:46:20      -51.708845         0.000044
BFGS:    6 15:46:20      -51.708845         0.000000
BFGS:    7 15:46:20      -51.708845         0.000000
Minimization converged after 7 steps.
Maximum force component: 3.6571939267857266e-31 eV/Angstrom
Maximum stress component: 3.972719648802024e-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 2.89391314e-35 5.00000000e-01]
 [7.50000000e-01 7.40841763e-33 5.00000000e-01]
 [5.00000000e-01 2.50000000e-01 2.89391314e-35]
 [5.00000000e-01 7.50000000e-01 5.78782627e-35]
 [1.54218672e-49 5.00000000e-01 2.50000000e-01]
 [0.00000000e+00 5.00000000e-01 7.50000000e-01]
 [1.51145921e-40 2.50000000e-01 5.00000000e-01]
 [0.00000000e+00 7.50000000e-01 5.00000000e-01]
 [2.50000000e-01 5.00000000e-01 2.89391314e-35]
 [7.50000000e-01 5.00000000e-01 5.78782627e-35]
 [5.00000000e-01 3.76208708e-33 7.50000000e-01]
 [5.00000000e-01 3.68973925e-33 2.50000000e-01]]
cellpar =  Cell([[6.6551062630031, 5.353493768782338e-33, -1.296388858810772e-35], [4.893282170730341e-33, 6.6551062630031, 2.5973793651259463e-18], [-4.420286685485191e-34, 2.5973793651258515e-18, 6.6551062630031]])
forces =  [[-8.54484562e-34 -2.13621141e-33 -8.33728449e-52]
 [ 6.83587650e-32  5.49890878e-65 -1.33160220e-67]
 [-1.70896912e-33  2.22165986e-31 -6.40863422e-34]
 [-2.13655922e-64 -2.90524751e-31  6.40863422e-34]
 [ 3.41793825e-33 -1.16055000e-49 -2.97360628e-31]
 [-2.24747490e-65  1.32062586e-49  3.38375887e-31]
 [-4.27242281e-34  2.73435060e-31  1.06717242e-49]
 [-1.28172684e-33 -3.65719393e-31 -1.42734311e-49]
 [ 3.41793825e-32  2.74945439e-65 -6.65801099e-68]
 [-9.74112401e-32 -3.75177802e-52 -9.61295133e-34]
 [ 1.70896912e-33 -1.70896912e-33  1.50389283e-31]
 [ 1.66168435e-65  4.27242281e-34 -2.45450691e-31]]
stress =  [-3.97271965e-15 -3.97271965e-15 -3.97271965e-15 -2.65162559e-32
 -3.18614063e-64  3.35539973e-64]
energy per atom =  -4.309070440408758
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0