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=-4.323392827601231 stress="0.24254572764981155 -0.004598920494766794 0.0759704916652557 -0.004598920494766794 0.3870139062779533 -0.019228770834031943 0.0759704916652557 -0.019228770834031943 0.44955913434052563" free_energy=-4.323392827601231 pbc="F T T" N 0.02031036 0.18745344 0.02015752 2.34732896 1.73299457 0.85040295 N 1.37970777 1.77711528 2.87871118 -2.48395194 1.46390737 -1.85684378 N 1.25213077 2.73125112 1.21824351 -2.85660481 -1.34008846 0.31935319 N 0.13616082 1.26429260 1.62968218 2.99322779 -1.85681347 0.68708764