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=7353.26141754267 stress="-1274.5710945908027 -400.4602668326671 95.00246737685966 -400.4602668326671 -1175.9347026270998 -159.27871037502652 95.00246737685966 -159.27871037502652 -984.6670410912541" pbc="T F T" Lr 0.19641704 0.20270954 0.26179205 -14590.16868129 -19366.12276351 -7160.24183111 Lr 1.44010751 1.32047613 -0.09867401 13120.81188487 15059.87713834 -4541.91746263 Lr 1.60421504 0.07398712 1.43453984 3781.84513055 -5456.99129682 4833.89487989 Lr 0.08945986 1.65861729 1.29434620 -2312.48833413 9763.23692199 6868.26441385