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=1131.2212780209961 pbc="F T F" Cf 0.05145887 0.15930814 0.00277172 98 -1192.76917676 437.36556725 -1429.12928636 Cf 1.59363443 1.75938773 0.14966315 98 1791.77959839 -627.29088122 -1217.35463947 Cf 1.46499498 0.12535358 1.79407500 98 1325.99592764 520.44473983 1189.75360626 Cf -0.00413369 1.67261013 1.51708163 98 -1925.00634926 -330.51942586 1456.73031958