element(s):
['Si']
AFLOW prototype label:
A_hP4_194_f
Parameter names:
['a', 'c/a', 'z1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.8496', '1.6527431', '0.56294015']
model name:
Sim_LAMMPS_MEAM_DuLenoskyHennig_2011_Si__SM_662785656123_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0.33333333 0.66666667 0.56294015]]
spacegroup =  194
cell =  [[3.8496, 0, 0], [-1.9248, 3.3338513944086, 0], [0, 0, 6.3624]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:23:51      -18.533353         0.381134
BFGS:    1 16:23:51      -18.536208         0.320292
BFGS:    2 16:23:51      -18.542759         0.067489
BFGS:    3 16:23:51      -18.542998         0.045915
BFGS:    4 16:23:51      -18.543189         0.007095
BFGS:    5 16:23:51      -18.543191         0.006696
BFGS:    6 16:23:51      -18.543205         0.000671
BFGS:    7 16:23:51      -18.543205         0.000090
BFGS:    8 16:23:51      -18.543205         0.000000
BFGS:    9 16:23:51      -18.543205         0.000000
Minimization converged after 9 steps.
Maximum force component: 5.770466075458168e-10 eV/Angstrom
Maximum stress component: 1.6930998859004812e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si']
basis =  [[0.33333333 0.66666667 0.56321244]
 [0.66666666 0.33333334 0.06321244]
 [0.66666666 0.33333334 0.43678756]
 [0.33333333 0.66666667 0.93678756]]
cellpar =  Cell([[3.8349012271941123, 2.4447380800763997e-18, -5.402999991557009e-38], [-1.9174506135970562, 3.32112188375422, -1.930456861688877e-37], [6.684772783661893e-37, -4.260870783166531e-36, 6.302944210759544]])
forces =  [[ 1.57562690e-31 -2.72906585e-31  5.77046608e-10]
 [-5.04200609e-31  2.18325268e-31  5.77046608e-10]
 [-4.09662995e-31  2.72906585e-31 -5.77046608e-10]
 [ 3.78150457e-31  3.90331946e-46 -5.77046608e-10]]
stress =  [ 4.54311901e-11  4.54311901e-11 -1.69309989e-10  7.85110741e-34
  1.35985169e-33 -1.36088247e-26]
energy per atom =  -4.635801250936817
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0