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=-1.5920565034469387 stress="0.11530134930679424 0.013619250088964075 -0.023413865862033485 0.013619250088964075 0.11337539843743984 0.011900387793936984 -0.023413865862033485 0.011900387793936984 0.12642543827589525" pbc="T T T" user11 0.29376284 0.17358377 -0.08819090 1.10931116 0.30029026 -1.05999787 user11 1.51517975 1.34931536 -0.16953119 -0.47044942 -0.64285008 -0.50420116 user11 1.20162333 0.11234612 1.76991444 -0.91187404 0.40088230 1.28047445 user11 0.02488946 1.63826709 1.55160758 0.27301230 -0.05832247 0.28372458