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=31.320949982588456 stress="-2.421780698759908 0.17480806993658562 -0.05371138698318402 0.17480806993658562 -1.6305902500021832 -0.08215834695401358 -0.05371138698318402 -0.08215834695401358 -2.5527413229381275" free_energy=31.320949982588456 pbc="T F T"
O       2.99207130       0.15300231       0.03848316      -3.83266731     -14.53518296       3.23109662 
O       1.45774659       1.41852158       2.95789336       7.26932545      15.73063862       5.14165302 
O       1.38825682       0.19178619       1.67895518       6.25291070     -18.17987502      -5.58673014 
O       0.29140871       1.61455359       1.53253581      -9.68956884      16.98441936      -2.78601950