&CONTROL
   verbosity        = 'high'
   tstress          = .true.
   tprnfor          = .true.
   outdir           = '/var/lib/material-modelling/data/LaB6.cif-QuantumEspresso-farhi-20261030-163030'
   prefix           = 'B6La'
   disk_io          = 'low'
   pseudo_dir       = '/usr/share/espresso/pseudo'
/
&SYSTEM
   ecutwfc          = 30.0
   nosym            = .true.
   noinv            = .true.
   occupations      = 'smearing'
   degauss          = 0.009554823852044876
   smearing         = 'mv'
   input_dft        = 'PBE'
   ntyp             = 2
   nat              = 56
   ibrav            = 0
/
&ELECTRONS
   electron_maxstep = 200
   conv_thr         = 7.349864501572982e-07
   mixing_beta      = 0.3
   diagonalization  = 'david'
/
&IONS
/
&CELL
/
&FCP
/
&RISM
/
ATOMIC_SPECIES
La 138.90547 La.paw.z_11.atompaw.wentzcovitch.v1.2.upf
B 10.81 b_pbe_v1.4.uspp.F.UPF

K_POINTS automatic
3 3 3  0 0 0

CELL_PARAMETERS angstrom
8.31400000000000 0.00000000000000 0.00000000000000
0.00000000000000 8.31400000000000 0.00000000000000
0.00000000000000 0.00000000000000 8.31400000000000

ATOMIC_POSITIONS angstrom
La 0.0000000000 0.0000000000 0.0000000000  
B 0.8210075000 2.0785000000 2.0885000000  
B 2.0785000000 2.0785000000 0.8210075000  
B 2.0785000000 0.8210075000 2.0785000000  
B 2.0785000000 2.0785000000 3.3359925000  
B 2.0785000000 3.3359925000 2.0785000000  
B 3.3359925000 2.0785000000 2.0785000000  
La 0.0000000000 0.0000000000 4.1570000000  
B 0.8210075000 2.0785000000 6.2355000000  
B 2.0785000000 2.0785000000 4.9780075000  
B 2.0785000000 0.8210075000 6.2355000000  
B 2.0785000000 2.0785000000 7.4929925000  
B 2.0785000000 3.3359925000 6.2355000000  
B 3.3359925000 2.0785000000 6.2355000000  
La 0.0000000000 4.1570000000 0.0000000000  
B 0.8210075000 6.2355000000 2.0785000000  
B 2.0785000000 6.2355000000 0.8210075000  
B 2.0785000000 4.9780075000 2.0785000000  
B 2.0785000000 6.2355000000 3.3359925000  
B 2.0785000000 7.4929925000 2.0785000000  
B 3.3359925000 6.2355000000 2.0785000000  
La 0.0000000000 4.1570000000 4.1570000000  
B 0.8210075000 6.2355000000 6.2355000000  
B 2.0785000000 6.2355000000 4.9780075000  
B 2.0785000000 4.9780075000 6.2355000000  
B 2.0785000000 6.2355000000 7.4929925000  
B 2.0785000000 7.4929925000 6.2355000000  
B 3.3359925000 6.2355000000 6.2355000000  
La 4.1570000000 0.0000000000 0.0000000000  
B 4.9780075000 2.0785000000 2.0785000000  
B 6.2355000000 2.0785000000 0.8210075000  
B 6.2355000000 0.8210075000 2.0785000000  
B 6.2355000000 2.0785000000 3.3359925000  
B 6.2355000000 3.3359925000 2.0785000000  
B 7.4929925000 2.0785000000 2.0785000000  
La 4.1570000000 0.0000000000 4.1570000000  
B 4.9780075000 2.0785000000 6.2355000000  
B 6.2355000000 2.0785000000 4.9780075000  
B 6.2355000000 0.8210075000 6.2355000000  
B 6.2355000000 2.0785000000 7.4929925000  
B 6.2355000000 3.3359925000 6.2355000000  
B 7.4929925000 2.0785000000 6.2355000000  
La 4.1570000000 4.1570000000 0.0000000000  
B 4.9780075000 6.2355000000 2.0785000000  
B 6.2355000000 6.2355000000 0.8210075000  
B 6.2355000000 4.9780075000 2.0785000000  
B 6.2355000000 6.2355000000 3.3359925000  
B 6.2355000000 7.4929925000 2.0785000000  
B 7.4929925000 6.2355000000 2.0785000000  
La 4.1570000000 4.1570000000 4.1570000000  
B 4.9780075000 6.2355000000 6.2355000000  
B 6.2355000000 6.2355000000 4.9780075000  
B 6.2355000000 4.9780075000 6.2355000000  
B 6.2355000000 6.2355000000 7.4929925000  
B 6.2355000000 7.4929925000 6.2355000000  
B 7.4929925000 6.2355000000 6.2355000000