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=47.17050372688044 stress="-2.507676503922175 0.008287901978371303 -0.02634066114932296 0.008287901978371303 -2.5505174742352357 -0.013778093298618553 -0.02634066114932296 -0.013778093298618553 -2.5773708825127435" pbc="T T T" K -0.14459490 0.11115480 0.11044915 1.63792244 -1.85027371 -0.28546601 K 1.70960170 1.31143450 -0.16166483 -2.37106377 1.99788941 0.41034675 K 1.28829595 0.03769167 1.64041416 -0.88365351 -1.37577860 -0.68243842 K -0.22187219 1.51878885 1.32834452 1.61679484 1.22816290 0.55755768