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=-0.7729688339162698 stress="0.0428538110952441 -0.001790682823023802 -0.0017341940380721007 -0.001790682823023802 0.05127179199071401 -0.021273270803833632 -0.0017341940380721007 -0.021273270803833632 0.07666591301992097" pbc="F F T" user18 0.00981564 0.00961461 0.05883846 0.34932184 0.47126593 -0.17211063 user18 1.62802497 1.21544271 0.23946164 -0.35979320 -0.60887688 0.32914119 user18 1.60445872 0.09888864 1.45373192 -0.42135083 0.73198275 -0.32886613 user18 0.23461187 1.21338062 1.79645322 0.43182219 -0.59437180 0.17183557