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=0.7135690439417004 pbc="T T F" Kr 0.10511863 0.15410497 0.23869687 36 -1.24147272 1.06056769 -2.40802504 Kr 1.59726253 1.74368247 0.09179748 36 -0.41057708 -1.81939274 -2.79975403 Kr 1.40871614 -0.12390655 1.43130037 36 1.10210775 2.40144564 3.41033677 Kr -0.09253954 1.72606892 1.42077710 36 0.54994205 -1.64262058 1.79744231