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_CuiGaoCui_2012_LiSi__SM_562938628131_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 14:14:54       -8.046959        1.7401
BFGS:    1 14:14:54       -8.118850        1.1542
BFGS:    2 14:14:54       -8.183904        0.1951
BFGS:    3 14:14:54       -8.186044        0.1410
BFGS:    4 14:14:54       -8.186368        0.0911
BFGS:    5 14:14:54       -8.186571        0.0257
BFGS:    6 14:14:54       -8.186611        0.0072
BFGS:    7 14:14:54       -8.186613        0.0008
BFGS:    8 14:14:54       -8.186613        0.0001
BFGS:    9 14:14:54       -8.186613        0.0000
BFGS:   10 14:14:54       -8.186613        0.0000
BFGS:   11 14:14:55       -8.186613        0.0000
Minimization converged after 11 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.2575704099228438e-11 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([[2.799449937595553, -1.9125493153029812e-17, 1.071626682945721e-37], [-1.3997249687977764, 2.4243947625805093, -4.812933128476277e-37], [-5.9375327927620175e-36, -3.737278631795766e-36, 4.540830298597106]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.22377156e-11 -1.22377156e-11  1.25757041e-11 -1.86608147e-34
  3.23214792e-34  3.57964503e-27]
energy per atom =  -4.093306718455628
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0