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_AslamBaskesDickel_2019_FeMnSiC__MO_427873955970_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 15:31:14      -49.713767         2.351246
BFGS:    1 15:31:14      -49.939929         2.139007
BFGS:    2 15:31:14      -50.238052         1.839095
BFGS:    3 15:31:14      -50.492568         1.557392
BFGS:    4 15:31:14      -50.706129         1.292874
BFGS:    5 15:31:14      -50.881241         1.044574
BFGS:    6 15:31:14      -51.020266         0.811575
BFGS:    7 15:31:14      -51.125435         0.593013
BFGS:    8 15:31:14      -51.198851         0.388070
BFGS:    9 15:31:14      -51.242498         0.195970
BFGS:   10 15:31:14      -51.258248         0.015983
BFGS:   11 15:31:14      -51.258358         0.000562
BFGS:   12 15:31:14      -51.258358         0.000002
BFGS:   13 15:31:14      -51.258358         0.000000
Minimization converged after 13 steps.
Maximum force component: 1.0590721788454106e-29 eV/Angstrom
Maximum stress component: 6.525382564632263e-12 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 7.25881748e-33 5.00000000e-01]
 [5.00000000e-01 2.50000000e-01 2.74955208e-35]
 [5.00000000e-01 7.50000000e-01 1.09982083e-34]
 [0.00000000e+00 5.00000000e-01 2.50000000e-01]
 [1.64766962e-35 5.00000000e-01 7.50000000e-01]
 [6.77666371e-36 2.50000000e-01 5.00000000e-01]
 [1.68175283e-36 7.50000000e-01 5.00000000e-01]
 [2.50000000e-01 5.00000000e-01 1.09982083e-34]
 [7.50000000e-01 5.00000000e-01 5.49910415e-35]
 [5.00000000e-01 3.51942666e-33 7.50000000e-01]
 [5.00000000e-01 3.68439978e-33 2.50000000e-01]]
cellpar =  Cell([[7.004522521035148, -5.341990639519894e-32, -1.0989345894346535e-32], [-1.4124905853861236e-32, 7.004522521035148, -4.419495273270323e-18], [2.5624928899781153e-32, -4.4194952732704475e-18, 7.004522521035148]])
forces =  [[-1.75552725e-30  1.43895676e-32 -9.07908084e-51]
 [-1.15116541e-30 -1.43895676e-32 -2.15843515e-32]
 [-2.07128535e-62  1.02453722e-29 -1.43895676e-32]
 [ 2.04601081e-62 -1.02309826e-29 -4.67660949e-32]
 [ 1.43895676e-32 -2.87791353e-32 -1.05907218e-29]
 [-3.95713110e-32  7.19478382e-33  9.66978946e-30]
 [-1.31049676e-62  6.44652631e-30 -2.87791353e-32]
 [-7.19478382e-33 -6.80626550e-30 -3.23765272e-32]
 [ 7.77036653e-31 -1.43895676e-32 -1.43895676e-32]
 [-4.60466165e-31  7.19478382e-33 -1.43895676e-32]
 [ 7.19478382e-33 -1.43895676e-32  8.69129886e-30]
 [-2.81107955e-62  4.84822917e-48 -7.68402912e-30]]
stress =  [-6.52538256e-12 -6.52538256e-12 -6.52538256e-12 -9.49134117e-29
  8.37417694e-35  3.36451766e-51]
energy per atom =  -4.271529842255986
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0