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=649.8929802850691 stress="-147.42219756726965 -41.01929011433264 5.54829534036255 -41.01929011433264 -149.1240240780024 -23.233072484538578 5.54829534036255 -23.233072484538578 -85.25550270594229" pbc="T T F" Ds -0.29562669 -0.15793489 0.28980360 1541.98836397 583.60334252 -1149.43043761 Ds 1.53005771 1.55767746 0.06246006 -1234.83214615 -996.31158551 -626.92025112 Ds 1.42727178 0.11416274 1.57268477 -577.49673287 -540.53739814 891.21319170 Ds -0.07269337 1.26633258 1.43770625 270.34051505 953.24564113 885.13749704