&CONTROL
   verbosity        = 'high'
   tstress          = .true.
   tprnfor          = .true.
   outdir           = '/var/lib/material-modelling/data/LaB6.cif-QuantumEspresso-farhie-20260902-145708'
   pseudo_dir       = '/usr/share/espresso/pseudo'
/
&SYSTEM
   ecutwfc          = 20.0
   occupations      = 'smearing'
   degauss          = 0.009558823529411765
   smearing         = 'methfessel-paxton'
   ntyp             = 2
   nat              = 7
   ibrav            = 0
/
&ELECTRONS
   conv_thr         = 1e-05
   mixing_beta      = 0.7
   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 crystal_b
1331
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CELL_PARAMETERS angstrom
4.15700000000000 0.00000000000000 0.00000000000000
0.00000000000000 4.15700000000000 0.00000000000000
0.00000000000000 0.00000000000000 4.15700000000000

ATOMIC_POSITIONS angstrom
La 0.0000000000 0.0000000000 0.0000000000  
B 0.8210075000 2.0785000000 2.0785000000  
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