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 15:31:14      -49.573502         1.584649
BFGS:    1 15:31:14      -49.677721         1.484821
BFGS:    2 15:31:14      -49.884284         1.270822
BFGS:    3 15:31:14      -50.059402         1.065514
BFGS:    4 15:31:14      -50.204358         0.868611
BFGS:    5 15:31:14      -50.320392         0.679835
BFGS:    6 15:31:14      -50.408701         0.498915
BFGS:    7 15:31:14      -50.470446         0.325591
BFGS:    8 15:31:14      -50.506745         0.159608
BFGS:    9 15:31:14      -50.518662         0.006696
BFGS:   10 15:31:14      -50.518683         0.000147
BFGS:   11 15:31:14      -50.518683         0.000000
BFGS:   12 15:31:14      -50.518683         0.000000
Minimization converged after 12 steps.
Maximum force component: 3.320917745703427e-30 eV/Angstrom
Maximum stress component: 1.0756350670741577e-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 2.21120775e-34]
 [4.95914669e-38 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 3.86961356e-33 7.50000000e-01]
 [5.00000000e-01 3.64849279e-33 2.50000000e-01]]
cellpar =  Cell([[6.967884204661288, -2.545448427352086e-32, 3.6224432818153456e-33], [-2.959944945158328e-32, 6.967884204661288, -8.513895846652693e-18], [-8.204629082066939e-33, -8.513895846652778e-18, 6.967884204661288]])
forces =  [[-1.57457307e-31  1.96766003e-50 -1.61035882e-32]
 [ 1.43143006e-31 -2.86286013e-32  1.43143006e-32]
 [-2.14714509e-32 -3.43543215e-31  4.19767474e-49]
 [ 1.81165367e-32 -6.29829228e-31  7.15715031e-33]
 [-2.93147618e-64 -1.43143006e-32  3.00600313e-31]
 [-2.86286013e-32  9.09496194e-49 -7.44343633e-31]
 [-1.43143006e-32 -2.54794551e-30  3.11327543e-48]
 [-1.43143006e-32  2.54794551e-30 -3.57857516e-33]
 [-2.00400209e-31 -1.96821634e-32 -1.43143006e-32]
 [ 4.29429019e-31  1.74903114e-50 -1.43143006e-32]
 [ 3.84954774e-63  1.43143006e-32 -3.32091775e-30]
 [-1.65509101e-32  1.43143006e-32  3.22071764e-30]]
stress =  [-1.07563507e-13 -1.07563507e-13 -1.07563507e-13 -1.82072329e-30
 -1.26937112e-34 -3.42202756e-51]
energy per atom =  -4.20989026777105
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0