16 Lattice="42.0 0.0 0.0 0.0 42.0 0.0 0.0 0.0 42.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-0.5543790740487834 stress="7.630964786101563e-06 1.8328075136734165e-06 2.4396594281216296e-06 1.8328075136734165e-06 8.647078563574556e-06 -1.0979303232454634e-07 2.4396594281216296e-06 -1.0979303232454634e-07 8.68777750059453e-06" pbc="F F F" Kr 20.87493448 20.77751790 21.21608562 0.02470602 0.02271015 0.02259326 Kr 22.53946462 22.33326422 22.67407132 0.01403510 0.01793477 0.00809028 Kr 23.97626832 20.80313226 21.26059536 -0.01619933 0.03092704 0.04074235 Kr 25.42655917 22.70531378 22.70214268 -0.05930163 0.01843850 0.01494734 Kr 20.78988101 23.94148226 20.94254349 0.03435815 -0.00628125 0.04052368 Kr 22.35656307 25.21185201 22.39918731 -0.05583579 0.03991815 0.05922441 Kr 23.83205029 24.25265227 21.21452809 0.07840314 -0.08186087 -0.02050126 Kr 25.42268222 25.47076044 22.46865004 -0.03069945 -0.03553044 0.01930035 Kr 21.19864330 20.92181508 24.28618767 0.04029421 0.03341979 -0.02043705 Kr 22.41597199 22.53700813 25.63608552 0.01827486 0.01255688 -0.05997452 Kr 23.75140001 20.74233408 23.96622041 -0.01899993 0.04769658 -0.01374133 Kr 25.24925740 22.79492946 25.42956758 -0.03327523 0.01561904 -0.03713233 Kr 21.06172917 23.90640912 23.66565556 0.02575967 -0.03536168 0.01900073 Kr 22.41747291 25.51509646 25.51977991 0.01362231 -0.03670856 -0.03439120 Kr 23.81742014 24.11235060 23.94954608 -0.01377355 -0.01797378 -0.01772853 Kr 25.62223333 25.60206144 25.63543274 -0.02136856 -0.02550432 -0.02051617