SystemName        system
SystemLabel       system
NumberOfAtoms     6
NumberOfSpecies   3

WriteForces       T
WriteCoorStep     T
WriteCoorXmol     T
WriteMDXmol       T
WriteMDHistory    T

MeshCutoff            300 Ry
DM.Tolerance          1.000000e-04
DM.NumberPulay         5
DM.UseSaveDM          true
XC.functional          GGA
XC.authors             PBE
MD.UseSaveXV           T

DM.UseSaveDM           F
WriteDM                F
WriteDM.NetCDF         F
WriteDMHS.NetCDF       F

%block Chemical_Species_label
1	6	C
2	1	H
3	7	N
%endblock Chemical_Species_label

%block kgrid_Monkhorst_Pack
1	0	0	0.0
0	1	0	0.0
0	0	150	0.0
%endblock kgrid_Monkhorst_Pack

LatticeConstant 1.00 Ang
%block LatticeVectors
10.269575 0.000000 0.000000
-0.255660 9.882868 0.000000
0.112990 -0.148019 9.809641
%endblock LatticeVectors

AtomicCoordinatesFormat Ang
%block AtomicCoordinatesAndAtomicSpecies
5.386680 4.158650 3.377770 1 H
3.945500 4.521670 4.457510 1 H
5.562160 5.555940 4.281570 1 H
5.436810 4.034550 5.278340 1 H
5.095370 4.564810 4.366510 2 C
%endblock AtomicCoordinatesAndAtomicSpecies
