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=-25.52144829084927 stress="-0.3297561880777732 1.181098532137163 -0.8189358726576764 1.181098532137163 0.21231752380138935 -0.35767760778834123 -0.8189358726576764 -0.35767760778834123 0.16012541517858073" pbc="T T F" B 0.21071555 -0.29638301 0.18843486 -52.13906435 30.41125260 -9.29236884 B 1.20871985 1.56543165 0.14573287 30.91551809 -38.16828522 9.59040118 B 1.28228795 0.10821729 1.24937853 18.10278300 8.44757659 11.97998037 B -0.07988727 1.35336777 1.54239513 3.12076325 -0.69054397 -12.27801271