16 Lattice="6.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 6.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-0.5543790740487833 stress="0.5653629190726908 0.13578904307303735 0.18074948771067795 0.13578904307303735 0.6406447566181114 -0.0081343461788628 0.18074948771067795 -0.0081343461788628 0.6436600594640476" pbc="F F F" Kr -0.12506552 -0.22248210 0.21608562 0.02470602 0.02271015 0.02259326 Kr 1.53946462 1.33326422 1.67407132 0.01403510 0.01793477 0.00809028 Kr 2.97626832 -0.19686774 0.26059536 -0.01619933 0.03092704 0.04074235 Kr 4.42655917 1.70531378 1.70214268 -0.05930163 0.01843850 0.01494734 Kr -0.21011899 2.94148226 -0.05745651 0.03435815 -0.00628125 0.04052368 Kr 1.35656307 4.21185201 1.39918731 -0.05583579 0.03991815 0.05922441 Kr 2.83205029 3.25265227 0.21452809 0.07840314 -0.08186087 -0.02050126 Kr 4.42268222 4.47076044 1.46865004 -0.03069945 -0.03553044 0.01930035 Kr 0.19864330 -0.07818492 3.28618767 0.04029421 0.03341979 -0.02043705 Kr 1.41597199 1.53700813 4.63608552 0.01827486 0.01255688 -0.05997452 Kr 2.75140001 -0.25766592 2.96622041 -0.01899993 0.04769658 -0.01374133 Kr 4.24925740 1.79492946 4.42956758 -0.03327523 0.01561904 -0.03713233 Kr 0.06172917 2.90640912 2.66565556 0.02575967 -0.03536168 0.01900073 Kr 1.41747291 4.51509646 4.51977991 0.01362231 -0.03670856 -0.03439120 Kr 2.81742014 3.11235060 2.94954608 -0.01377355 -0.01797378 -0.01772853 Kr 4.62223333 4.60206144 4.63543274 -0.02136856 -0.02550432 -0.02051617