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=207.10204702510256 stress="-8.5792587687648 2.4950614425309414 0.3779224438567819 2.4950614425309414 -14.612972003225202 -0.2509392805219949 0.3779224438567819 -0.2509392805219949 -13.410613796704594" free_energy=207.10204702510256 pbc="F T T"
O       0.21219253       2.92485375       0.12990665    -124.15135850     107.24399607     -21.63736621 
O       1.28220450       1.78278197       0.06210000     124.13779754    -121.97843517     -38.42295023 
O       1.63362859       2.82702941       1.47514463      62.33868760      41.36213206      25.70118644 
O       0.04852473       1.55473499       1.41561068     -62.32512664     -26.62769295      34.35912999