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:Z:I:1:forces:R:3 energy=12.17440139549217 pbc="F T F" Rg 0.23698464 0.18734388 -0.22744496 111 -117.74693951 -62.98436278 -84.01640978 Rg 1.79888928 1.34698057 0.03888080 111 100.38220431 87.20112362 -18.88497898 Rg 1.25477488 -0.02343879 1.51601049 111 101.92211349 26.88495550 96.69211075 Rg -0.19417424 1.63271682 1.40685909 111 -84.55737829 -51.10171635 6.20927801