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=-7.883308036223317 pbc="T T T" F -0.05999756 -0.22726514 0.02685280 9 4.65319439 5.57067030 3.51315149 F 0.94962258 0.55731993 -0.29902789 9 -4.10202685 -3.55609657 5.03337609 F 0.80796122 0.00777553 0.82810155 9 -4.02538671 2.99982146 -5.20397908 F -0.11118151 0.77459374 0.80361021 9 3.47421916 -5.01439519 -3.34254851