12 Lattice="5.261207 0.0 0.0 0.0 5.261207 0.0 0.0 0.0 5.261207" Properties=species:S:1:pos:R:3:forces:R:3 energy=-77.13318392207597 stress="-0.02486959362312655 7.79768061426392e-08 7.797680614264892e-08 7.79768061426392e-08 -0.024869593623126546 7.797680614267483e-08 7.797680614264892e-08 7.797680614267483e-08 -0.024869593623126546" dipole="2.9983133519107558e-05 3.026005850762188e-05 3.023456931560716e-05" pbc="T T T" F 1.25965000 1.25965000 1.25965000 0.05633418 0.05633418 0.05633418 F 4.00155000 1.25965000 1.25965000 -0.05624102 0.05626488 0.05626488 F 1.25965000 4.00155000 1.25965000 0.05626488 -0.05624102 0.05626488 F 4.00155000 4.00155000 1.25965000 -0.05619918 -0.05619918 0.05622963 F 2.63061000 2.63061000 2.63061000 -0.00005266 -0.00005266 -0.00005266 F 1.25965000 1.25965000 4.00155000 0.05626488 0.05626488 -0.05624102 F 4.00155000 1.25965000 4.00155000 -0.05619918 0.05622963 -0.05619918 F 1.25965000 4.00155000 4.00155000 0.05622963 -0.05619918 -0.05619918 F 4.00155000 4.00155000 4.00155000 -0.05619138 -0.05619138 -0.05619138 Y 2.63061000 2.63061000 0.00000000 -0.00013223 -0.00013223 0.00005342 Y 2.63061000 0.00000000 2.63061000 -0.00013223 0.00005342 -0.00013223 Y 0.00000000 2.63061000 2.63061000 0.00005342 -0.00013223 -0.00013223