&CONTROL
   verbosity        = 'high'
   tstress          = .true.
   tprnfor          = .true.
   outdir           = '/var/lib/material-modelling/data/Ramakrishna_182_p6322_Ni0.33NbS2.cif-QuantumEspresso-Dhami-20260630-115534'
   pseudo_dir       = '/usr/share/espresso/pseudo'
/
&SYSTEM
   ecutwfc          = 30.0
   occupations      = 'smearing'
   degauss          = 0.009558823529411765
   smearing         = 'methfessel-paxton'
   ntyp             = 3
   nat              = 20
   ibrav            = 0
/
&ELECTRONS
   conv_thr         = 1e-05
   mixing_beta      = 0.7
   diagonalization  = 'david'
/
&IONS
/
&CELL
/
&FCP
/
&RISM
/
ATOMIC_SPECIES
Nb 92.90637 Nb.pbe-spn-kjpaw_psl.0.3.0.UPF
Ni 58.6934 ni_pbe_v1.4.uspp.F.UPF
S 32.06 s_pbe_v1.4.uspp.F.UPF

K_POINTS automatic
4 4 4  0 0 0

CELL_PARAMETERS angstrom
5.76290000000000 0.00000000000000 0.00000000000000
-2.88145000000000 4.99081779946934 0.00000000000000
0.00000000000000 0.00000000000000 11.89520000000000

ATOMIC_POSITIONS angstrom
Nb -0.0000028814 3.3272135299 5.9792069745  
Nb 2.8814528815 1.6636042696 0.0316069745  
Nb 2.8814528815 1.6636042696 5.9159930255  
Nb -0.0000028814 3.3272135299 11.8635930255  
Nb 0.0000000000 0.0000000000 5.9476000000  
Nb 0.0000000000 0.0000000000 -0.0000000000  
Ni 2.8814528815 1.6636042696 8.9214000000  
Ni -0.0000028814 3.3272135299 2.9738000000  
S 1.9237007896 3.3295922863 7.5175984572  
S -0.9639119027 4.9919953797 7.5175984572  
S -0.9597888869 1.6600479028 7.5175984572  
S 0.9577492104 1.6612255132 1.5699984572  
S 3.8453619027 -0.0011775803 1.5699984572  
S 3.8412388869 3.3307698967 1.5699984572  
S 1.9216611131 3.3307698967 4.3776015428  
S 4.8051507896 1.6612255132 4.3776015428  
S 1.9175380973 -0.0011775803 4.3776015428  
S 0.9597888869 1.6600479028 10.3252015428  
S -1.9237007896 3.3295922863 10.3252015428  
S 0.9639119027 4.9919953797 10.3252015428