element(s):
['Si']
AFLOW prototype label:
A_hP2_194_c
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.6864', '1.708383']
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 0.25      ]]
spacegroup =  194
cell =  [[2.6864, 0, 0], [-1.3432, 2.3264906447265, 0], [0, 0, 4.5894]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:08:35       -8.192325        2.6839
BFGS:    1 15:08:35       -8.139627        4.8026
BFGS:    2 15:08:35       -8.248701        1.1641
BFGS:    3 15:08:35       -8.255905        0.5150
BFGS:    4 15:08:35       -8.258485        0.2797
BFGS:    5 15:08:35       -8.260868        0.4331
BFGS:    6 15:08:35       -8.273879        0.7277
BFGS:    7 15:08:35       -8.288105        0.7612
BFGS:    8 15:08:35       -8.301782        0.6313
BFGS:    9 15:08:35       -8.310170        0.3851
BFGS:   10 15:08:35       -8.311371        0.1740
BFGS:   11 15:08:35       -8.311626        0.1244
BFGS:   12 15:08:35       -8.311750        0.0401
BFGS:   13 15:08:35       -8.311762        0.0047
BFGS:   14 15:08:35       -8.311763        0.0002
BFGS:   15 15:08:35       -8.311763        0.0000
BFGS:   16 15:08:35       -8.311763        0.0000
BFGS:   17 15:08:35       -8.311763        0.0000
Minimization converged after 17 steps.
Maximum force component: 5.8057082958678884e-33 eV/Angstrom
Maximum stress component: 7.507020339104017e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si']
basis =  [[0.33333333 0.66666667 0.25      ]
 [0.66666666 0.33333334 0.75      ]]
cellpar =  Cell([[2.826090088706665, 7.602192910968477e-18, 5.496218441863062e-35], [-1.4130450443533324, 2.447465810203389, 2.910321556706258e-35], [4.077826314098015e-35, 5.233273518144018e-35, 3.9990414058080486]])
forces =  [[5.80570830e-33 1.56173770e-50 1.12910205e-67]
 [5.80570830e-33 1.56173770e-50 1.12910205e-67]]
stress =  [ 7.50702034e-10  7.50702034e-10  4.00997285e-10 -9.23526478e-33
 -1.45417707e-33 -7.41716218e-26]
energy per atom =  -4.155881427149956
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0