&CONTROL
   verbosity        = 'high'
   tstress          = .true.
   tprnfor          = .true.
   outdir           = '/var/www/html/data/material_modeling/MoS2.cif-QuantumEspresso-farhie-20231001-093751/'
   pseudo_dir       = '/usr/share/espresso/pseudo'
/
&SYSTEM
   ecutwfc          = 20.0
   occupations      = 'smearing'
   degauss          = 0.009558823529411765
   smearing         = 'methfessel-paxton'
   ntyp             = 2
   nat              = 6
   ibrav            = 0
/
&ELECTRONS
   conv_thr         = 1e-05
   mixing_beta      = 0.7
   diagonalization  = 'david'
/
&IONS
/
&CELL
/

ATOMIC_SPECIES
Mo 95.95 Mo_ONCV_PBE-1.0.oncvpsp.upf
S 32.06 s_pbe_v1.4.uspp.F.UPF

K_POINTS crystal_b
1000
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CELL_PARAMETERS angstrom
3.19223791000000 0.00000000000000 0.00000000000000
-1.59611895500000 2.76455912498374 0.00000000000000
0.00000000000000 0.00000000000000 13.37829400000000

ATOMIC_POSITIONS angstrom
Mo -0.0000000160 1.8430394259 10.0337205000 
Mo 1.5961189710 0.9215196991 3.3445735000 
S -0.0000000160 1.8430394259 1.7804101221 
S 1.5961189710 0.9215196991 11.5978838779 
S 1.5961189390 0.9215196991 8.4695571221 
S 0.0000000160 1.8430394259 4.9087368779