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_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__MO_262519520678_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 17:33:47      -49.573502        1.5846
BFGS:    1 17:33:47      -49.677721        1.4848
BFGS:    2 17:33:47      -49.884284        1.2708
BFGS:    3 17:33:47      -50.059402        1.0655
BFGS:    4 17:33:47      -50.204358        0.8686
BFGS:    5 17:33:47      -50.320392        0.6798
BFGS:    6 17:33:47      -50.408701        0.4989
BFGS:    7 17:33:47      -50.470446        0.3256
BFGS:    8 17:33:47      -50.506745        0.1596
BFGS:    9 17:33:47      -50.518662        0.0067
BFGS:   10 17:33:47      -50.518683        0.0001
BFGS:   11 17:33:47      -50.518683        0.0000
BFGS:   12 17:33:47      -50.518683        0.0000
Minimization converged after 12 steps.
Maximum force component: 1.4028014615471375e-30 eV/Angstrom
Maximum stress component: 1.0738366599512175e-13 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 7.29698558e-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]
 [1.67214071e-36 5.00000000e-01 7.50000000e-01]
 [0.00000000e+00 2.50000000e-01 5.00000000e-01]
 [1.49287783e-36 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 3.31681163e-33 7.50000000e-01]
 [5.00000000e-01 3.67613288e-33 2.50000000e-01]]
cellpar =  Cell([[6.9678842046612885, -2.3774775672762012e-32, 6.411365096793288e-33], [-1.4366422027947712e-32, 6.9678842046612885, -5.742881248804963e-18], [-6.374320551642192e-33, -5.742881248805055e-18, 6.9678842046612885]])
forces =  [[-2.64814562e-31  7.15715031e-33 -2.23660947e-33]
 [ 4.29429019e-32 -2.94943652e-51  3.57857516e-33]
 [-2.34843995e-33  6.73666773e-31  7.15715031e-33]
 [ 3.57857516e-33 -5.15314823e-31 -7.16413972e-35]
 [ 7.15715031e-33 -8.94643789e-34 -3.60094125e-31]
 [-7.00578638e-64 -6.31179416e-49  7.65815084e-31]
 [-1.85903434e-63  9.02695583e-31 -2.34843995e-33]
 [ 1.40595909e-35 -1.20240125e-30  7.15715031e-33]
 [ 5.63625587e-31 -2.23660947e-33  1.84339783e-51]
 [-1.86085908e-31  7.15715031e-33 -5.89887305e-51]
 [ 7.15715031e-33 -6.84269274e-49  8.30229436e-31]
 [-2.23660947e-33  1.15617912e-48 -1.40280146e-30]]
stress =  [-1.07383666e-13 -1.07383666e-13 -1.07383666e-13 -1.15380426e-32
 -8.46247416e-35  5.09661805e-53]
energy per atom =  -4.2098902677710495
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0