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=-0.07812052066763153 pbc="F T T" O -0.22153142 -0.00548572 -0.15873180 8 -3.01968778 1.23432145 0.49718972 O 1.34140700 1.31668137 -0.08013605 8 2.42605191 1.67457456 2.71289844 O 1.24396547 0.09073906 1.77219963 8 2.14033113 -1.81435442 -2.42774870 O -0.06618674 1.63132919 1.75978669 8 -1.54669526 -1.09454159 -0.78233947