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=16744.831262828015 stress="-1482.621746786011 31.263505414432082 446.7650989770665 31.263505414432082 -3122.989403083915 -2289.4445322371935 446.7650989770665 -2289.4445322371935 -3299.466265685241" pbc="T T F" Sg 0.20130655 0.31493733 0.22204726 -4737.34377122 248.04972968 -8365.09540582 Sg 1.70263335 1.77697607 0.29573732 13024.62657080 -57386.60077450 -68365.40634758 Sg 1.48137224 -0.21954164 1.42442852 5167.36152174 68835.57759086 68528.61918929 Sg 0.21202489 1.65268058 1.65170838 -13454.64432133 -11697.02654604 8201.88256411