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=107.820071459 stress="-106.96360785017514 6.552048271380423 -49.51436143173968 6.552048271380423 -82.60914159897604 -11.008430552597165 -49.51436143173968 -11.008430552597165 -88.65058555584565" pbc="F F F" In 0.02015752 -0.12029223 0.27711528 -285.32290266 -98.62436876 -216.09789317 P 1.33332060 1.25213077 -0.26874888 28.76944011 67.64887997 -90.20268720 P 1.21824351 0.20944019 1.26429260 365.72602502 -141.22724894 256.96873714 In 0.32957941 1.59406387 1.56542501 -109.17256247 172.20273773 49.33184323