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=16.97596006412719 stress="-3.413666183441829 0.09274349497346358 -0.2408612746580734 0.09274349497346358 -3.2795030990377163 -0.5265224592688954 -0.2408612746580734 -0.5265224592688954 -2.590718897089992" free_energy=16.97596006412719 pbc="T T F" W 2.73081884 2.95894820 0.20259391 1.35844162 0.16891117 -22.95182504 W 1.77500470 1.20865944 0.22277084 -5.83911150 -9.90702627 -24.50794780 W 1.67791506 0.18362810 1.69581920 0.92287400 3.33632717 25.76802584 W 0.29985240 1.76959405 1.67626233 3.55779589 6.40178793 21.69174700