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=-5.9775415628960396 stress="10.9480546564072 -0.24952076977368964 1.2187070052611446 -0.24952076977368964 10.425905796335481 0.030215288952406993 1.2187070052611446 0.030215288952406993 9.598410366520785" pbc="F F F" B -0.10986352 -0.22334428 0.23222247 4.17098792 2.32327625 3.97846918 B 1.66516616 1.59074991 0.15184102 -2.61233795 -2.63847890 2.85410512 B 1.38866340 -0.19397772 1.51937637 -4.38180653 3.48289976 -4.02463647 B -0.01947611 1.58924611 1.72394592 2.82315656 -3.16769711 -2.80793783