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=58.76243456104844 stress="-4.892173459810849 -0.1632224800824312 0.5867123980566391 -0.1632224800824312 -3.183306606759304 0.01319747186143893 0.5867123980566391 0.01319747186143893 -3.385022126650944" free_energy=58.76243456104844 pbc="T F F" Na 2.87071646 0.12858485 0.09811494 5.81583670 -29.81862282 -32.95245242 Na 1.37645034 1.60167972 0.08322477 4.91390309 27.30152847 -30.46170093 Na 1.71814757 0.00667482 1.59891886 -8.11290088 -26.58526858 30.38684120 Na 0.09826820 1.58862205 1.47083742 -2.61683891 29.10236293 33.02731216