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 12:56:50       -8.192325         2.683913
BFGS:    1 12:56:50       -8.139627         4.802593
BFGS:    2 12:56:50       -8.248701         1.164125
BFGS:    3 12:56:50       -8.255905         0.515005
BFGS:    4 12:56:50       -8.258485         0.279698
BFGS:    5 12:56:51       -8.260868         0.433079
BFGS:    6 12:56:51       -8.273879         0.727665
BFGS:    7 12:56:51       -8.288105         0.761223
BFGS:    8 12:56:51       -8.301782         0.631273
BFGS:    9 12:56:51       -8.310170         0.385124
BFGS:   10 12:56:51       -8.311371         0.174013
BFGS:   11 12:56:51       -8.311626         0.124436
BFGS:   12 12:56:51       -8.311750         0.040101
BFGS:   13 12:56:51       -8.311762         0.004652
BFGS:   14 12:56:52       -8.311763         0.000216
BFGS:   15 12:56:52       -8.311763         0.000035
BFGS:   16 12:56:52       -8.311763         0.000001
BFGS:   17 12:56:52       -8.311763         0.000000
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