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:
Sim_LAMMPS_MEAM_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__SM_656517352485_000
==== 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 16:31:13      -35.516720         0.915216
BFGS:    1 16:31:13      -35.530706         0.895460
BFGS:    2 16:31:13      -35.573308         0.693787
BFGS:    3 16:31:13      -35.603181         0.487054
BFGS:    4 16:31:13      -35.621521         0.289866
BFGS:    5 16:31:13      -35.629781         0.160779
BFGS:    6 16:31:13      -35.631359         0.177363
BFGS:    7 16:31:13      -35.633495         0.180980
BFGS:    8 16:31:13      -35.638155         0.158683
BFGS:    9 16:31:13      -35.643275         0.117067
BFGS:   10 16:31:14      -35.646232         0.070918
BFGS:   11 16:31:14      -35.646893         0.016225
BFGS:   12 16:31:14      -35.646940         0.000827
BFGS:   13 16:31:14      -35.646941         0.000212
BFGS:   14 16:31:14      -35.646941         0.000035
BFGS:   15 16:31:14      -35.646941         0.000004
BFGS:   16 16:31:14      -35.646941         0.000000
BFGS:   17 16:31:14      -35.646941         0.000000
Minimization converged after 17 steps.
Maximum force component: 3.5182346619366807e-09 eV/Angstrom
Maximum stress component: 2.556006812827932e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[0.81913106 0.81913106 0.        ]
 [0.18086894 0.18086894 0.        ]
 [0.18086894 0.81913106 0.        ]
 [0.81913106 0.18086894 0.        ]
 [0.31913106 0.31913106 0.5       ]
 [0.68086894 0.68086894 0.5       ]
 [0.68086894 0.31913106 0.5       ]
 [0.31913106 0.68086894 0.5       ]]
cellpar =  Cell([[6.656530647842147, 2.9124429173969844e-36, 5.765248364335797e-32], [-1.7316950622523808e-36, 6.656530647842147, 4.571769666898814e-17], [1.2938583007614564e-32, 2.5978813694169525e-17, 4.002531655837233]])
forces =  [[-3.51823466e-09 -3.51823466e-09 -2.41636748e-26]
 [ 3.51823466e-09  3.51823466e-09  2.41636748e-26]
 [ 3.51823466e-09 -3.51823466e-09 -2.41635761e-26]
 [-3.51823466e-09  3.51823466e-09  2.41636255e-26]
 [-3.51823466e-09 -3.51823466e-09 -2.41635761e-26]
 [ 3.51823466e-09  3.51823466e-09  2.41636748e-26]
 [ 3.51823466e-09 -3.51823466e-09 -2.41635761e-26]
 [-3.51823466e-09  3.51823466e-09  2.41635761e-26]]
stress =  [ 6.96462790e-11  6.96462790e-11  2.55600681e-10 -9.56531760e-26
 -9.25268429e-34  3.08840906e-49]
energy per atom =  -4.455867633070746
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0