12 Phosphorene 3-Layer, PBE/TZP optimized P 0.827601929 -0.405827265 6.672508641 P -0.827601929 -1.900616065 6.672508641 P 0.827601929 0.405827265 -6.672508641 P -0.827601929 1.900616065 -6.672508641 P 0.827601929 0.403979056 4.541385094 P -0.827601929 1.902464274 4.541385094 P 0.827601929 -0.403979056 -4.541385094 P -0.827601929 -1.902464274 -4.541385094 P -0.827601929 -0.403818798 1.068192715 P -0.827601929 0.403818798 -1.068192715 P 0.827601929 1.902624532 -1.068192715 P 0.827601929 -1.902624532 1.068192715 VEC1 3.310407716 0.000000000 0.000000000 VEC2 0.000000000 4.612886659 0.000000000