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=-1.0973452387474076 stress="0.06691974689751304 -0.0018530467547768728 -0.009113741230348252 -0.0018530467547768728 0.10432508633121218 0.010965319772742255 -0.009113741230348252 0.010965319772742255 0.06658628384995076" pbc="F T F" user02 0.27777345 0.06504589 0.29202298 0.53896219 0.67623106 0.89929271 user02 1.26598343 1.47477494 0.24223312 -0.96624482 -0.28613844 0.67374791 user02 1.38771500 0.07820434 1.65908753 -0.53351534 0.16467695 -0.61223496 user02 0.00736328 1.29119558 1.25717045 0.96079797 -0.55476957 -0.96080565