180 Lattice="7.216453447937964 0.0 0.0 0.0 7.216453447937964 0.0 0.0 0.0 48.10968965291976" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1248.2979426625009 stress="0.09731795266125064 7.246366888077539e-12 6.279370267761118e-07 7.246366888077539e-12 0.09731795269693273 -3.046111929757597e-06 6.279370267761118e-07 -3.046111929757597e-06 3.685766862186752e-12" pbc="T T F" Na -0.00077575 0.01105777 11.96929919 0.00000161 -0.00000860 0.00000008 Na 1.20196679 1.21379851 13.40255724 0.00000139 -0.00000887 -0.00000001 Na -0.00077519 0.01105469 14.53447187 0.00000172 -0.00000812 -0.00000023 Na 1.20196754 1.21379459 15.67015164 0.00000169 -0.00000674 0.00000023 Na -0.00077401 0.01104925 16.83530813 0.00000135 -0.00000702 0.00000063 Na 1.20196903 1.21378742 18.03327389 0.00000074 -0.00000636 0.00000033 Na -0.00077223 0.01104043 19.24406047 0.00000108 -0.00000422 -0.00000025 Na 1.20197101 1.21377749 20.45380425 0.00000060 -0.00000302 -0.00000052 Na -0.00077024 0.01102986 21.65856843 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