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=38.9649199243595 stress="-2.1154466858558596 0.008015017032064626 -0.0037777437538175805 0.008015017032064626 -0.8632254462401115 0.07754026540889833 -0.0037777437538175805 0.07754026540889833 -0.8441127120260442" free_energy=38.9649199243595 pbc="T F F" K -0.00548572 0.09073906 0.27219963 -1.31989237 -9.27000746 -9.05572404 K 1.25564823 1.63132919 0.25978669 1.67710654 9.18975359 -8.24392815 K 1.22592512 0.18365717 1.70288723 2.13060761 -8.13950165 9.20803047 K 0.08343331 1.29585403 1.44809454 -2.48782178 8.21975552 8.09162172