4 Lattice="1.5 0.0 0.0 0.0 1.5 0.0 0.0 0.0 1.5" Properties=species:S:1:pos:R:3:forces:R:3 energy=152.0377030670962 stress="-218.6388119621113 163.12475701900408 -129.19676450695425 163.12475701900408 -202.42219013244062 118.88706621240306 -129.19676450695425 118.88706621240306 -128.16126680868754" pbc="T T T" user01 -0.14459490 0.11115480 0.11044915 807.10824858 -1308.78304184 470.62953460 user01 0.95960170 0.56143450 -0.16166483 -1291.46822092 1303.32679380 -697.00160058 user01 0.41509000 0.03769167 0.59907360 434.83369949 -75.57578675 305.42666869 user01 0.00089865 0.76878885 0.76418829 49.52627285 81.03203478 -79.05460271