&CONTROL
   verbosity        = 'high'
   tstress          = .true.
   tprnfor          = .true.
   outdir           = '/var/lib/material-modelling/data/B4Mo10P2.cif-QuantumEspresso-farhi-20261101-205606'
   prefix           = 'B4Mo10P2'
   disk_io          = 'low'
   pseudo_dir       = '/usr/share/espresso/pseudo'
/
&SYSTEM
   ecutwfc          = 45.00000000000001
   nosym            = .false.
   noinv            = .true.
   occupations      = 'smearing'
   degauss          = 0.009554823852044876
   smearing         = 'mv'
   input_dft        = 'PBE'
   ntyp             = 3
   nat              = 16
   ibrav            = 0
/
&ELECTRONS
   electron_maxstep = 100
   conv_thr         = 7.349864501572982e-07
   mixing_beta      = 0.7
   diagonalization  = 'david'
/
&IONS
/
&CELL
/
&FCP
/
&RISM
/
ATOMIC_SPECIES
B 10.81 b_pbe_v1.4.uspp.F.UPF
Mo 95.95 Mo_ONCV_PBE-1.0.oncvpsp.upf
P 30.973761998 P.pbe-n-rrkjus_psl.1.0.0.UPF

K_POINTS crystal
1331
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0.45454545454545 0.45454545454545 -0.09090909090909 0.00075131480090
0.45454545454545 0.45454545454545 0.00000000000000 0.00075131480090
0.45454545454545 0.45454545454545 0.09090909090909 0.00075131480090
0.45454545454545 0.45454545454545 0.18181818181818 0.00075131480090
0.45454545454545 0.45454545454545 0.27272727272727 0.00075131480090
0.45454545454545 0.45454545454545 0.36363636363636 0.00075131480090
0.45454545454545 0.45454545454545 0.45454545454545 0.00075131480090

CELL_PARAMETERS angstrom
6.00172000000000 0.00000000000000 0.00000000000000
0.00000000000000 6.00172000000000 0.00000000000000
-3.00082674022303 -3.00082674022303 5.58549705780290

ATOMIC_POSITIONS angstrom
B 0.7124641812 2.2883958188 0.0000000000  
B 3.7133241812 0.7124641812 0.0000000000  
B 2.2883958188 5.2892558188 0.0000000000  
B 5.2892558188 3.7133241812 0.0000000000  
Mo 0.9971496819 2.0037581603 4.0172011939  
Mo 3.9979950995 5.0046035779 1.5682958639  
Mo 0.0000000000 0.0000000000 0.0000000000  
Mo 3.0008600000 3.0008600000 0.0000000000  
Mo -0.9971018397 -2.0037103181 4.0172011939  
Mo 2.0037581603 -0.9971018397 4.0172011939  
Mo -2.0037103181 0.9971496819 4.0172011939  
Mo 0.9971350995 3.9979950995 1.5682958639  
Mo 5.0046035779 2.0037435779 1.5682958639  
Mo 2.0037435779 0.9971350995 1.5682958639  
P 3.0008766299 3.0008766299 2.7927485289  
P 0.0000166299 0.0000166299 2.7927485289