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=43.70290277233975 stress="-4.666011341806976 -0.18846376739828988 0.4320541663325029 -0.18846376739828988 -5.333358628248192 0.5027805549567881 0.4320541663325029 0.5027805549567881 -2.3831759408490427" free_energy=43.70290277233975 pbc="T T T" Si 0.06482696 2.84620060 0.01821382 -7.03114377 2.89637431 -6.51540613 Si 1.20575425 1.46963223 0.15586213 4.53487813 -2.30725608 5.01252815 O 1.40395547 2.83226600 1.23049600 13.61984382 8.42623377 -10.64974777 O 0.12036030 1.45631248 1.74843919 -11.12357819 -9.01535200 12.15262574