4
Lattice="3.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 3.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-3.3909806381354675 stress="0.5493534999746784 0.46962598583426957 0.26055453398871387 0.46962598583426957 0.5261031434089346 -0.5007646348692044 0.26055453398871387 -0.5007646348692044 0.8049151966974674" pbc="T T F"
C      -0.13449789      -0.21197381       0.22277084      -9.68293803     -17.41894362       8.89537010 
C       1.68584377       1.68362810       0.19581920      15.54599732       7.19929959       7.92063252 
C       1.64685009       0.42259636       1.63400892       5.81946791       5.23384267      -1.23065675 
C      -0.14597521       1.70996341       1.49207130     -11.68252719       4.98580135     -15.58534587