CRYSTAL PRIMVEC -2.698803764 0.000000000 2.698803764 0.000000000 2.698803764 2.698803764 -2.698803764 2.698803764 0.000000000 PRIMCOORD 2 1 Si 0.000000000 0.000000000 0.000000000 Si 1.349401882 1.349401882 1.349401882 BEGIN_BLOCK_DATAGRID_3D 3D_PWSCF DATAGRID_3D_UNKNOWN 56 40 40 0.000000 0.000000 0.000000 5.397608 5.397608 0.000000 0.000000 0.000000 5.397608 -10.795215 5.397608 0.000000 [...] [here the 3d grid data for charge density ] [...] END_DATAGRID_3D END_BLOCK_DATAGRID_3D