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=41.939919484179214 stress="-4.447732013520056 -0.5098746138687235 0.06563790593921015 -0.5098746138687235 -6.30988822630818 0.18146742813114602 0.06563790593921015 0.18146742813114602 -4.267561994994956" pbc="F T F" W 0.04852473 0.01848935 0.13661615 -53.24206963 -4.84087059 -46.85462121 W 1.40480033 1.28303047 0.11041876 43.08325509 7.60819174 -44.87811871 W 1.26735611 -0.16466555 1.24148635 51.87270312 3.00687160 47.10855989 W 0.08611608 1.53369179 1.52598936 -41.71388858 -5.77419275 44.62418004