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=1.0454308371723053 stress="-6.837729189304361 2.504147248669593 -0.6326837908206677 2.504147248669593 -5.797971088216688 -1.4606481734336576 -0.6326837908206677 -1.4606481734336576 -4.919409397469451" pbc="F F F" Kr -0.13327879 0.13903254 0.29077069 -1.79813931 -2.02544435 -2.61923580 Kr 1.23304693 1.46630297 0.02797580 0.58722222 1.15847783 -1.00845516 Kr 1.26545159 0.24660733 1.45309776 4.47056856 -3.11194786 1.32758009 Kr -0.06648401 1.29390154 1.64344907 -3.25965147 3.97891438 2.30011086