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=-0.6587996126026954 stress="0.06075876826377899 0.002410030650995815 0.007519574835881447 0.002410030650995815 0.041451462402102186 -0.000982769107245682 0.007519574835881447 -0.000982769107245682 0.04477755305363963" pbc="T F F" user18 0.21013098 0.13590441 0.23770193 0.42616773 0.43497741 0.51587648 user18 1.43154644 1.49429282 0.04358471 -0.21498841 -0.41922582 0.38205419 user18 1.39284530 0.15380551 1.46727572 -0.36809934 0.35789318 -0.57397505 user18 0.13022318 1.62428246 1.56222271 0.15692002 -0.37364477 -0.32395563