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=-1.3087794823482852 stress="-18.577847575514024 2.8440593831025662 -1.7545011205680936 2.8440593831025662 -26.065611585241058 1.2654525941447723 -1.7545011205680936 1.2654525941447723 -24.892400304933084" pbc="F F F" S -0.04539058 0.07327937 0.19989723 -6.16306351 -7.24752162 -9.65798524 Mo 1.62961200 1.37425859 0.15720406 5.44617932 6.93448898 -6.28647676 Mo 1.26564846 -0.11492400 1.79768454 7.35461383 -11.27759044 9.22580223 S -0.01726309 1.36065667 1.67089611 -6.63772965 11.59062308 6.71865976