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=359.7916519761416 stress="-1108.5022069153479 183.5063519163819 295.4260135611705 183.5063519163819 -2167.077403742523 -1134.4403447843583 295.4260135611705 -1134.4403447843583 -2088.908502887596" pbc="F F F" Ds 0.03880619 0.24436105 0.17642033 -49.54450736 -1500.86548346 -1299.97813997 Ds 1.34031532 1.67747900 0.07324667 334.76060052 473.71081909 -308.46470781 Ds 1.44499730 0.48093193 1.65666218 330.26199246 -259.20545116 372.91230589 Ds -0.29978710 1.44893383 1.39458744 -615.47808562 1286.36011553 1235.53054190