3 Lattice="2.690392 -2.690392 0.0 2.690392 2.690392 0.0 -2.690392 0.0 3.2828" Properties=species:S:1:pos:R:3:forces:R:3 energy=-14.051312879424334 stress="-0.02583267095421259 0.0 0.002141518169152348 0.0 -0.02256813775201766 0.0 0.002141518169152348 0.0 -0.004700732152625179" dipole="8.448919228682081e-05 8.529484025337401e-08 -2.4046242854050897e-09" pbc="T T T" K 2.69040000 0.00000000 0.00000000 -0.00001076 0.00000000 -0.00000011 O 0.00000000 -0.00000000 0.67597000 0.04716809 0.00000000 -0.42043349 O 2.69040000 -0.00000000 2.60683000 -0.04715749 0.00000000 0.42043304