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=-1.0053583351450717 stress="0.0759020834218269 -0.0034485058174309807 -0.002811016673525047 -0.0034485058174309807 0.06384009214748798 -0.016195406367981904 -0.002811016673525047 -0.016195406367981904 0.08542266313035764" pbc="T F T" user01 -0.10341577 0.11491923 -0.18823491 -0.13768887 0.86254756 -0.61577687 user01 1.54477433 1.67975866 0.00949795 0.26897206 -0.43620298 -0.22907356 user01 1.40395354 0.05604712 1.44054795 0.14601215 0.45483436 0.14608787 user01 -0.26075478 1.26601098 1.76823818 -0.27729534 -0.88117894 0.69876256