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=32.706386769618696 stress="-1.8736276346715186 -0.0499178451363315 -0.009495440279599962 -0.0499178451363315 -1.825442408825711 0.0776950411960266 -0.009495440279599962 0.0776950411960266 -1.0087898863588611" pbc="T T F" Na 0.06504129 -0.29134056 0.22277084 1.54577818 3.09717528 -9.68275874 Na 1.68584377 1.68362810 0.19581920 -1.95299760 -1.56430142 -10.13263399 Na 1.64685009 0.42259636 1.67626233 -1.70010117 -1.05460668 9.84059205 Na -0.14597521 1.70996341 1.49207130 2.10732059 -0.47826718 9.97480067