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=230.712519286 stress="-113.17255663071894 2.6368579559163203 0.8395991164215987 2.6368579559163203 -104.46150563457232 2.2737429575745622 0.8395991164215987 2.2737429575745622 -107.44357950246523" pbc="F F F" K -0.00359526 0.06224969 -0.15084418 -93.08529247 -92.12289557 -122.41099230 K 1.48058377 1.26986142 0.13236414 127.85832243 110.00147397 -104.84841847 K 1.23944939 0.01619234 1.30772007 99.21927990 -141.22291064 119.76316407 K 0.03790681 1.23395044 1.21647147 -133.99230987 123.34433224 107.49624670