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=98.95438939496447 stress="-5.702276444054485 -0.261904097656103 1.5914756844161246 -0.261904097656103 -11.299969108792913 -0.5277072032652683 1.5914756844161246 -0.5277072032652683 -12.507521438452644" pbc="F T T" Au 0.27711528 -0.12128882 -0.24786923 -90.47801851 -14.30610465 62.37107620 Au 1.23125112 1.21824351 0.20944019 62.69396245 35.55657062 2.18015548 Au 1.26429260 0.32957941 1.71980528 96.95358079 -27.34306522 -45.19074099 Au 0.29977655 1.68543805 1.58422142 -69.16952474 6.09259925 -19.36049069