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=586679.1428629799 stress="-103697.32705808373 -21435.382224993184 -36269.74621782509 -21435.382224993184 -66061.94829013088 4707.628041014796 -36269.74621782509 4707.628041014796 -92712.5576826078" pbc="T T F" Th 0.18745674 0.16312229 0.21247713 -1229590.98060322 -763218.17686564 -1327383.06348615 Th 1.49760955 1.25755205 0.01068199 302100.90343711 794170.35435670 -759620.48477474 Th 1.35804406 0.16297958 1.30882620 691877.36344124 -706666.41164343 1463877.57254690 Th -0.29872024 1.29745052 1.40811100 235612.71372488 675714.23415237 623125.97571399