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 14:38:34      -18.533353         0.381134
BFGS:    1 14:38:34      -18.536208         0.320292
BFGS:    2 14:38:34      -18.542759         0.067489
BFGS:    3 14:38:34      -18.542998         0.045915
BFGS:    4 14:38:34      -18.543189         0.007095
BFGS:    5 14:38:34      -18.543191         0.006696
BFGS:    6 14:38:34      -18.543205         0.000671
BFGS:    7 14:38:34      -18.543205         0.000090
BFGS:    8 14:38:34      -18.543205         0.000000
BFGS:    9 14:38:34      -18.543205         0.000000
Minimization converged after 9 steps.
Maximum force component: 5.770483765842917e-10 eV/Angstrom
Maximum stress component: 1.6931005134447615e-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([[3.834901227194111, 2.042299604395224e-18, 1.6039331941437378e-37], [-1.9174506135970555, 3.3211218837542194, -7.542011867748941e-38], [4.918544350508065e-37, 2.1127950015326537e-37, 6.302944210759544]])
forces =  [[-2.04831497e-31 -1.36453292e-31  5.77048377e-10]
 [ 2.52100304e-31 -2.18325268e-31  5.77048377e-10]
 [ 2.04831497e-31  1.36453292e-31 -5.77048377e-10]
 [-3.80331640e-47  2.18325268e-31 -5.77048377e-10]]
stress =  [ 4.54308755e-11  4.54308755e-11 -1.69310051e-10  9.81388426e-35
  1.69981462e-34 -5.39864679e-30]
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