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=-0.8646368467755201 stress="0.046600766748171873 0.0044922892024095796 -0.00014303449845636128 0.0044922892024095796 0.07773847956986837 0.007336426949653577 -0.00014303449845636128 0.007336426949653577 0.07271548913925906" pbc="F T T" user19 0.06407489 0.25732947 0.20977970 0.42944205 0.21278012 0.25452876 user19 1.78230215 1.45087722 0.22705379 -0.41365891 0.13361926 0.27327533 user19 1.44677905 -0.23560637 1.40059925 -0.44215003 -0.24250189 -0.31357340 user19 0.21395050 1.42898667 1.58820010 0.42636689 -0.10389750 -0.21423069