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=-1.3027671077443 stress="0.10737775116924855 0.007148091173327322 0.002785978521109581 0.007148091173327322 0.10434928976631214 -0.007436926162308198 0.002785978521109581 -0.007436926162308198 0.08905272750355481" pbc="T T T" user06 -0.04708941 -0.19352604 -0.26985041 -0.15068273 -0.04246744 0.14434477 user06 1.47186000 1.54618733 0.13407087 0.12799770 -0.04562335 0.50079004 user06 1.66784405 0.10717363 1.18594632 0.34416517 0.34506713 -0.33587689 user06 -0.06155450 1.26340923 1.18973171 -0.32148015 -0.25697634 -0.30925793