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=-15.16584654803861 pbc="T F F" B -0.09809428 -0.22675718 0.06444632 5 -0.25408330 7.83549135 6.86425069 B 1.30758850 1.27579688 0.24909591 5 -7.68396764 27.36695308 -27.45389095 B 1.53519644 0.23384982 1.32885096 5 8.61567722 -27.63503380 28.09591093 B -0.15684095 1.54670512 1.61495049 5 -0.67762628 -7.56741063 -7.50627066