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=-3.8534827686520665 stress="0.04681500867008747 -0.1364297405626694 -0.032548069780004484 -0.1364297405626694 -0.08098691715671899 0.09410043475918894 -0.032548069780004484 0.09410043475918894 0.026772180182009785" free_energy=-3.8534827686520665 pbc="T T T"
O       2.85498893       0.11042859       0.20947124      -1.23492364       1.50569541       2.22211704 
O       1.51001633       1.55280714       2.61579628       1.21193613      -0.13195967      -1.83071379 
O       1.34655491       2.87241235       1.32230844       1.26929136      -0.78506812      -0.21653466 
O       2.72474889       1.22286420       1.43858073      -1.24630384      -0.58866762      -0.17486859