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:Z:I:1:forces:R:3 energy=221.5232796651474 pbc="T T F" Ds -0.13662379 0.26737174 0.15555695 110 -133.79923083 -602.91386005 -499.45112963 Ds 1.25593033 1.60451159 -0.06804228 110 230.17190590 296.64782457 -180.06366775 Ds 1.48190800 0.24615940 1.70818790 110 -478.27633441 -470.75971165 234.56497748 Ds -0.18153897 1.54948102 1.55225467 110 381.90365935 777.02574713 444.94981991