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=14.661039054805263 stress="-49.16241839931366 -6.030496167598542 3.3512450244379615 -6.030496167598542 -89.24339714043538 -24.334988277192856 3.3512450244379615 -24.334988277192856 -76.10689621348483" pbc="F F F" U -0.28095614 0.00082602 0.24624097 -14.69563236 -45.07619780 -37.57625384 U 1.64302402 1.35498893 0.11042859 17.10094319 18.21724671 -24.28036680 U 1.70947124 -0.14487149 1.55280714 9.31327933 -19.06189321 17.45153554 U -0.08666117 1.34655491 1.37241235 -11.71859016 45.92084430 44.40508509