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_ModifiedTersoff_KumagaiIzumiHara_2007_Si__SM_773333226968_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 15:12:01       -8.363658         0.423577
BFGS:    1 15:12:01       -8.365951         0.333387
BFGS:    2 15:12:02       -8.371282         0.165914
BFGS:    3 15:12:02       -8.372597         0.163163
BFGS:    4 15:12:02       -8.374243         0.104555
BFGS:    5 15:12:02       -8.374805         0.045190
BFGS:    6 15:12:02       -8.374906         0.012873
BFGS:    7 15:12:02       -8.374914         0.001721
BFGS:    8 15:12:02       -8.374914         0.000186
BFGS:    9 15:12:02       -8.374914         0.000013
BFGS:   10 15:12:02       -8.374914         0.000000
BFGS:   11 15:12:02       -8.374914         0.000000
Minimization converged after 11 steps.
Maximum force component: 6.839756228589381e-32 eV/Angstrom
Maximum stress component: 1.9750055148844426e-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([[2.71791159021801, 5.63412544244797e-18, 1.7567162131885896e-36], [-1.358955795109005, 2.3537804823689576, 3.501272844902086e-36], [1.0342474735274114e-36, 9.384250641500543e-36, 4.456970792785296]])
forces =  [[ 3.35008468e-32 -1.93417229e-32 -1.43355471e-68]
 [-6.83975623e-32  4.11011612e-32  3.22674709e-68]]
stress =  [-2.30475578e-11 -2.30475578e-11  1.97500551e-10  9.79114468e-35
  1.69587601e-34  8.91338228e-27]
energy per atom =  -4.18745716963396
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0