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:forces:R:3 energy=-5.062374664298057 stress="-0.37695136682293573 -0.03049407609168815 0.07894428230775058 -0.03049407609168815 -0.5286999308353765 0.07786478660972393 0.07894428230775058 0.07786478660972393 -0.38313751930919626" pbc="T T F" N 0.16431082 -0.18574270 0.03277713 1.67955271 -1.26485182 -2.27787112 N 1.39971974 1.15062563 0.21813893 0.10731807 3.50590468 -6.75648455 N 1.26716069 0.19410236 1.33096497 -0.26978595 -0.82499611 7.85188432 N -0.11798803 1.43300593 1.22002482 -1.51708483 -1.41605675 1.18247136