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=3.5217810375630716 stress="-0.2867136512142933 0.0627505318254796 0.07072325756581858 0.0627505318254796 0.018218972573664883 0.087794566280982 0.07072325756581858 0.087794566280982 -0.3031847240058154" free_energy=3.5217810375630716 pbc="T F T" O 0.07327937 0.46225062 0.12961200 1.83403106 0.90728382 3.43053191 O 1.37425859 1.50558503 -0.23435154 -0.73137310 -0.64661510 -3.55160938 O 1.38507600 0.29768454 1.48273691 -0.29239833 -0.36249297 -0.86565177 O -0.13934333 1.67089611 1.47011124 -0.81025963 0.10182425 0.98672924