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=1415248.6009506318 stress="-184793.84742559562 41890.155018729434 28453.47040929792 41890.155018729434 -215640.33306608573 79769.28354370312 28453.47040929792 79769.28354370312 -230479.36205194326" pbc="T F F" Ra -0.03913719 0.10893933 0.12086373 -710431.68338293 -1270771.37352727 -1134625.72929463 Ra 1.26917548 1.31174506 0.15678647 1300940.77661057 3320979.71878483 -4266779.16550112 Ra 1.36542897 0.26473245 1.28165966 1908007.35401072 -4110578.38344538 3350985.40727743 Ra 0.11361179 1.30687726 1.33349703 -2498516.44723835 2060370.03818782 2050419.48751831