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=26.230826692909165 stress="-1.5751810199063943 0.033238026644983515 -0.025642812076172687 0.033238026644983515 -0.7504628289795016 0.05386152208028862 -0.025642812076172687 0.05386152208028862 -0.7292343558722933" pbc="T F F" Na -0.00548572 0.09073906 0.27219963 -1.03932417 -8.02900510 -8.04436820 Na 1.43381326 1.63132919 0.25978669 0.91979247 7.62086677 -6.90622984 Na 1.22592512 0.18365717 1.70288723 2.21048939 -7.21995438 7.94084332 Na 0.08343331 1.29585403 1.44809454 -2.09095768 7.62809272 7.00975471