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=-7.264734824589543 stress="12.619821998898319 1.0569412802770741 -0.43946041667336644 1.0569412802770741 13.446093304296179 3.089061586254827 -0.43946041667336644 3.089061586254827 14.696205684171664" pbc="F F F" C 0.01715159 0.20749297 0.08279801 4.50340490 6.25159998 6.09853991 C 1.64421340 1.60226300 -0.06258503 -4.70838378 -3.53108947 2.97594119 C 1.63738917 -0.19443194 1.78191644 -3.16988581 3.08140701 -2.50460570 C 0.06959148 1.46268855 1.60610432 3.37486469 -5.80191753 -6.56987540