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=0.35573916721585425 pbc="F T F" Kr -0.12595023 -0.29041171 -0.07820760 36 -0.20886104 -0.01514472 -0.44377482 Kr 1.55474908 1.25400122 0.16519763 36 0.72142552 2.51807813 -2.61588952 Kr 1.25161077 0.05253756 1.35613032 36 0.01730750 -2.84736963 2.81034197 Kr -0.29286513 1.22753451 1.36958626 36 -0.52987197 0.34443622 0.24932237