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=111.40775491718848 stress="-8.836018767495299 -1.0010562782922994 0.43353998766368995 -1.0010562782922994 -6.403784351866563 -0.7714231114769612 0.43353998766368995 -0.7714231114769612 -8.493012728697757" free_energy=111.40775491718848 pbc="T F T"
O       0.17895518       0.29140871       0.11455359     -20.96566790     -76.37696669     -41.20827883 
O       1.31100439       1.64904689       2.78091226      22.54613665      56.30960447      -7.50313386 
O       1.60060722       0.01361598       1.35198705       1.01362077     -45.77105114      19.96576941 
O       2.81694361       1.56329927       1.27886142      -2.59408953      65.83841336      28.74564329