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=239.5728048344261 stress="-59.342440887939254 -10.89687253247957 -19.27430464536138 -10.89687253247957 -41.20051622553813 9.898743459109953 -19.27430464536138 9.898743459109953 -57.49167550491438" pbc="F F T" Ds 0.13782397 0.23625707 -0.10444687 -685.87817918 -483.51636289 -122.61064585 Ds 1.55141072 1.49454572 -0.17066895 870.24027561 477.17173012 147.62095805 Ds 1.57849397 0.02041182 1.22967196 309.44475969 -295.23164043 244.28583826 Ds 0.28711717 1.72267977 1.42798204 -493.80685612 301.57627321 -269.29615046