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=-5.814947234371283 stress="-1.0549899202885273 -0.060272512793220455 -0.39355899853008514 -0.060272512793220455 -1.539883724439203 0.17215886238544453 -0.39355899853008514 0.17215886238544453 -1.3038778336674697" free_energy=-5.814947234371283 pbc="T T T" C 2.85540510 0.11115480 0.11044915 12.94543432 -3.93171094 4.70614951 C 1.70960170 1.31143450 2.83833517 -7.00186080 -2.96698263 -14.10302522 C 1.28829595 2.83509776 1.64041416 -13.23045077 -3.73069321 5.22130839 C 2.77812781 1.51878885 1.32834452 7.28687725 10.62938678 4.17556733