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=5.572860767298518 stress="-1.3602903416187655 0.005060860489781194 0.7404508592301555 0.005060860489781194 -1.0638720214492998 0.0168837129579618 0.7404508592301555 0.0168837129579618 -1.4890677830950507" pbc="T T T" Cn -0.12164386 0.05275279 0.10147036 19.53287228 -4.65911983 -12.78952702 Cn 1.74540199 1.46845534 -0.03311807 -14.01286740 4.60763077 5.02849606 Cn 1.77297720 0.02014170 1.39341926 -19.33001316 -4.51343538 13.32352527 Cn -0.10649209 1.44203239 1.61036647 13.81000828 4.56492445 -5.56249431