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=450.87281949718357 pbc="F T F" Hs 0.04350895 0.27261583 -0.06274682 108 -568.04967848 -125.84098699 -468.48276536 Hs 1.64603331 1.59962041 -0.21410962 108 382.93292740 -658.44135625 -1171.43659900 Hs 1.58274002 -0.20595138 1.25179951 108 1136.97359329 1341.11316906 1193.45015261 Hs -0.00585195 1.74095189 1.51200775 108 -951.85684221 -556.83082582 446.46921175