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=-22.1174503912 stress="-3.314466048409893 0.6441457107285455 -0.21058023460705538 0.6441457107285455 -4.964310428975118 0.11749972989000673 -0.21058023460705538 0.11749972989000673 -4.588430287900244" pbc="F F F" N 0.02031036 0.18745344 0.02015752 -7.46451194 -2.16218565 -8.07418010 U 1.37970777 1.77711528 0.09851646 4.87697015 5.60420594 -6.01704461 U 1.25213077 -0.26874888 1.21824351 8.75755654 -11.11788476 4.00215244 N 0.43593737 1.26429260 1.62968218 -6.17001475 7.67586447 10.08907227