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=43.5283747103 stress="-35.711361673523434 0.4228104197900256 -0.6570028025932092 0.4228104197900256 -32.869809815501526 -1.5195574910932508 -0.6570028025932092 -1.5195574910932508 -31.0377227177038" pbc="F F F" U -0.08338442 -0.03487808 0.22586561 -52.65896702 -43.26650130 -49.81463226 U 1.79391194 1.22614529 0.02103145 46.84522731 26.21929897 -51.91401089 U 1.27761356 0.18220204 1.39362841 51.93789975 -54.09996465 64.92299069 U 0.23573857 1.52724172 1.27538150 -46.12416004 71.14716697 36.80565246