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=9.998588898723932 stress="-1.037504167045339 -0.02712204442577149 -0.042724326943403924 -0.02712204442577149 -0.9516917956799638 0.09228078965188877 -0.042724326943403924 0.09228078965188877 -0.7139659102474069" free_energy=9.998588898723932 pbc="T T T"
O       2.85498893       0.11042859       0.20947124      -1.13903949       2.98864974       2.61054619 
O       1.51001633       1.55280714       2.91333883       1.41021878       3.56790613      -1.42200979 
O       1.40644031       2.87241235       1.32230844      -0.35128211      -3.39742738      -1.68927532 
O       2.91049160       1.22286420       1.43858073       0.08010282      -3.15912848       0.50073892