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=-1.2703801742732999 stress="0.06721861735433714 -0.013692485369303366 0.003563960258566707 -0.013692485369303366 0.11196454328810358 0.014134779918314015 0.003563960258566707 0.014134779918314015 0.10327203190055123" pbc="F T T" user05 0.25615100 0.05418098 0.27603186 0.83636889 0.19717144 0.62637467 user05 1.23398676 1.67521589 0.05449455 -0.71542414 0.17478623 0.30946293 user05 1.46662244 0.04321506 1.46470831 -0.86389999 0.12570153 -0.37304484 user05 0.16245883 1.23754516 1.41239330 0.74295524 -0.49765919 -0.56279276