3 Lattice="3.590516 8.7e-05 -0.00019 -1.795183 3.109348 0.0 -0.000278 -0.00016 5.093047" Properties=species:S:1:pos:R:3:forces:R:3 energy=-15.644522934129101 stress="-0.005342271777080305 -5.190263046237781e-06 -0.00012894826841169547 -5.190263046237781e-06 -0.005464825285611146 7.018202064950928e-07 -0.00012894826841169547 7.018202064950928e-07 -0.008536567026646841" dipole="-1.4062920597401298e-05 -1.412563317576257e-05 8.73138753236552e-06" pbc="T T T" Pt 0.00000000 0.00000000 0.00000000 -0.00003945 -0.00003948 0.00003332 S 0.00001000 2.07290000 1.21900000 0.00218233 0.00010057 -0.07727097 S 1.79504000 1.03637000 3.87386000 -0.00214282 -0.00006104 0.07723759