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=16.076379857061347 stress="-27.855400748781303 2.634797067741917 -5.069713093843193 2.634797067741917 -23.122250490973926 -2.5597225550364513 -5.069713093843193 -2.5597225550364513 -29.002853173900554" pbc="F F F" Na 0.19178619 0.17895518 0.29140871 -11.70395005 -10.07086089 -18.63317749 Na 1.61455359 1.53253581 0.14904689 6.27053885 7.43254209 -5.07158645 Na 1.28091226 0.10609294 1.46603997 14.25836896 -8.26593807 14.53005260 Na -0.19401975 1.32157598 1.51361598 -8.82495776 10.90425687 9.17471134