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=809831.6192652005 pbc="T T T" Cn 0.20637649 0.21340132 0.04915765 112 -2725953.91535476 -6050577.11061684 -10116604.08131037 Cn 0.84452477 0.46305942 -0.03715891 112 2546314.64622569 976828.68210503 -410675.64812610 Cn 0.57004914 -0.18517629 0.71107115 112 369007.43120079 -661608.84214707 235917.64308926 Cn 0.21572245 0.48945160 0.60127978 112 -189368.16207171 5735357.27065888 10291362.08634720