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:Z:I:1:forces:R:3 energy=21756.033762768173 pbc="T T F" Fm -0.05475245 0.25984323 0.25549331 100 11154.99514719 -49251.87763068 -46707.52779355 Fm 1.55603118 1.20937230 0.24576305 100 -13632.95383919 47331.58527829 -47118.09487533 Fm 1.37610354 0.13001326 1.33861895 100 -3853.24663725 -40802.88607275 43492.40229086 Fm -0.15254601 1.31782120 1.36943302 100 6331.20532926 42723.17842514 50333.22037803