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=-1.9156162561 stress="-1.726206311733797 0.6658012088348781 -1.0483766190122077 0.6658012088348781 2.9837434232418887 -0.6499764428907985 -1.0483766190122077 -0.6499764428907985 2.9289598661900764" pbc="F F F" C -0.14459490 0.11115480 0.11044915 -3.66665308 4.97429900 2.41185756 C 1.70960170 1.18822856 0.04092907 0.76927756 -5.74861684 7.31338712 C 1.28829595 -0.09986095 1.64041416 5.00826778 5.70669912 -5.52071128 C 0.00089865 1.51878885 1.32834452 -2.11089226 -4.93238128 -4.20453340