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=-1.5461929999553805 stress="-0.2159652050894209 0.06029466573176472 -0.028521778245605745 0.06029466573176472 -0.3417489680144383 0.045518005702291045 -0.028521778245605745 0.045518005702291045 -0.29076774087805024" free_energy=-1.5461929999553805 pbc="T F T"
O       0.47498304       0.02103145       2.77761356      -0.26548010      -1.64988637      -0.44008911 
O       1.51045526       1.39362841       0.23573857       0.02182654       4.00412611      -2.68589286 
O       1.65826650       0.22083292       1.28984966       1.66326450      -5.84924626       1.60115291 
O       2.95167428       1.42299150       1.40698366      -1.41961094       3.49500652       1.52482905