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=176.343860298 stress="-44.800837855252084 1.5469983161074758 0.533939173606855 1.5469983161074758 -38.96870348171295 1.4961663153162967 0.533939173606855 1.4961663153162967 -43.76965756198941" pbc="F F F" I -0.23807589 -0.03509031 -0.23739624 -73.93994558 -60.11612306 -83.43419270 I 1.62263099 1.54530481 -0.04793993 66.63699422 90.83938776 -73.75559497 I 1.62593290 -0.15999292 1.39901191 91.12164992 -101.83877212 64.02255075 I -0.08187355 1.20122014 1.73212867 -83.81869856 71.11550742 93.16723692