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=133.6578337572256 stress="-7.027527578847564 0.9367867020739964 1.1075493988777763 0.9367867020739964 -7.27564297642488 -0.12869152609894388 1.1075493988777763 -0.12869152609894388 -12.282645322724196" free_energy=133.6578337572256 pbc="F F T"
O       0.20070203       0.28187239       0.01001192     -91.98436687     -57.88803274      79.71976059 
O       1.48453339       1.60170120       2.87793365      62.77245446      55.13840040      23.56747277 
O       1.21904386       0.00082602       1.74624097     103.00822894     -89.14617874     -61.44672836 
O       0.14302402       1.35498893       1.61042859     -73.79631654      91.89581109     -41.84050499