element(s):
['Si']
AFLOW prototype label:
A_tI8_139_h
Parameter names:
['a', 'c/a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.6881', '0.57703982', '0.8213634']
model name:
MEAM_LAMMPS_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__MO_262519520678_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0.8213634 0.8213634 0.       ]]
spacegroup =  139
cell =  [[6.6881, 0, 0], [0, 6.6881, 0], [0, 0, 3.8593]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 23:11:25      -35.516720         0.915216
BFGS:    1 23:11:25      -35.530706         0.895460
BFGS:    2 23:11:25      -35.573308         0.693787
BFGS:    3 23:11:25      -35.603181         0.487054
BFGS:    4 23:11:25      -35.621521         0.289866
BFGS:    5 23:11:25      -35.629781         0.160779
BFGS:    6 23:11:25      -35.631359         0.177363
BFGS:    7 23:11:25      -35.633495         0.180980
BFGS:    8 23:11:25      -35.638155         0.158683
BFGS:    9 23:11:25      -35.643275         0.117067
BFGS:   10 23:11:25      -35.646232         0.070918
BFGS:   11 23:11:25      -35.646893         0.016225
BFGS:   12 23:11:25      -35.646940         0.000827
BFGS:   13 23:11:25      -35.646941         0.000212
BFGS:   14 23:11:25      -35.646941         0.000035
BFGS:   15 23:11:26      -35.646941         0.000004
BFGS:   16 23:11:26      -35.646941         0.000000
BFGS:   17 23:11:26      -35.646941         0.000000
Minimization converged after 17 steps.
Maximum force component: 3.5181952073859443e-09 eV/Angstrom
Maximum stress component: 2.5559795565308506e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[8.19131056e-01 8.19131056e-01 0.00000000e+00]
 [1.80868944e-01 1.80868944e-01 0.00000000e+00]
 [1.80868944e-01 8.19131056e-01 6.01472427e-34]
 [8.19131056e-01 1.80868944e-01 0.00000000e+00]
 [3.19131056e-01 3.19131056e-01 5.00000000e-01]
 [6.80868944e-01 6.80868944e-01 5.00000000e-01]
 [6.80868944e-01 3.19131056e-01 5.00000000e-01]
 [3.19131056e-01 6.80868944e-01 5.00000000e-01]]
cellpar =  Cell([[6.656530647842146, -7.02734672865908e-37, 2.947826646792289e-33], [-4.462028819715506e-37, 6.6565306478421515, 8.52544700877099e-19], [-4.579938173876727e-33, 5.149186338869302e-19, 4.002531655837234]])
forces =  [[-3.51819521e-09 -3.51819521e-09 -4.50696562e-28]
 [ 3.51819521e-09  3.51819521e-09  4.50597892e-28]
 [ 3.51819521e-09 -3.51819521e-09 -4.50696562e-28]
 [-3.51819521e-09  3.51819521e-09  4.50597892e-28]
 [-3.51819521e-09 -3.51819521e-09 -4.50696562e-28]
 [ 3.51819521e-09  3.51819521e-09  4.50647227e-28]
 [ 3.51819521e-09 -3.51819521e-09 -4.50647227e-28]
 [-3.51819521e-09  3.51819521e-09  4.50597892e-28]]
stress =  [ 6.96462512e-11  6.96462512e-11  2.55597956e-10  5.74885222e-27
 -2.60505970e-44 -5.85715213e-61]
energy per atom =  -4.455867633070745
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0