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=44.1623513082 stress="-32.02047512608277 -4.673424198961929 -3.6065462177443997 -4.673424198961929 -46.381137741428546 -14.280541516212763 -3.6065462177443997 -14.280541516212763 -35.59611621682087" pbc="F F F" U -0.28095614 0.00082602 0.24624097 -52.07071328 -105.53922027 -86.73778289 U 1.64302402 1.35498893 0.11042859 38.96397473 39.88145873 -38.93468866 U 1.70947124 -0.14487149 1.55280714 33.69612812 -38.60612753 36.76749454 U -0.08666117 1.34655491 1.37241235 -20.58938957 104.26388907 88.90497702