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=145.96907856880046 stress="-46.452171384986606 -20.68937166289475 -0.058572081688339495 -20.68937166289475 -34.443963585022125 -3.6083763161783717 -0.058572081688339495 -3.6083763161783717 -24.2287574035694" pbc="T T F" Br 0.14854698 0.29707803 0.05512597 -120.26006792 -408.07383200 -272.50819935 Br 1.55136687 1.44813118 0.17257656 63.32370964 295.42996862 -164.66632986 Br 1.57751142 0.23724021 1.73901112 -398.03793636 -455.12936302 157.04785020 Br -0.11164499 1.34665584 1.51541553 454.97429464 567.77322640 280.12667901