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=-3.80873023328 stress="0.7317769260514784 -0.3691349038656973 0.20826010608303713 -0.3691349038656973 1.8328888210681036 -0.7293023223429288 0.20826010608303713 -0.7293023223429288 1.933052738850037" pbc="F F F"
C      -0.12280496      -0.20130994       0.11041876       0.57951449       2.01415390       1.09980447 
C       1.26735611       1.33533445      -0.25851365       0.23779293      -3.75164792       4.48684199 
C       1.34171324       0.33244006       1.29889907      -2.29213043       4.47357670      -4.91812067 
C      -0.21834816       1.46375436       1.40583543       1.47482301      -2.73608267      -0.66852579