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=3.19480693108 stress="-13.213375526645205 -1.8760854876174808 1.6136733753630625 -1.8760854876174808 -9.4900069554903 -1.0572405169498995 1.6136733753630625 -1.0572405169498995 -17.817433457582595" pbc="F F F" W 0.23171545 0.18190327 -0.17816502 -14.36843993 -14.46715047 -21.90480271 W 1.71219253 1.42485375 0.12990665 21.22317770 15.11996164 -16.00659388 W 1.28220450 0.28278197 1.56210000 11.57363921 -13.93439685 19.04382260 W 0.13362859 1.32702941 1.57034430 -18.42837699 13.28158568 18.86757400