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=143.95364920369389 stress="-18.110253198727886 0.6348708084831687 -0.1618475755052776 0.6348708084831687 -9.069934417965937 -0.23579530293973347 -0.1618475755052776 -0.23579530293973347 -8.907332200352986" pbc="T F F" S 0.18840780 0.06603388 0.00693356 -11.68962938 -63.08943439 -88.64631332 S 1.59019950 1.72580078 0.18883157 5.26940467 85.58606319 -67.51358046 S 1.49955875 0.04313966 1.44832183 24.50235800 -94.37433652 70.45871312 S 0.25980354 1.46667242 1.77143892 -18.08213329 71.87770773 85.70118065