32 Lattice="11.268857955932617 0.0 0.0 0.0 11.268857955932617 0.0 0.0 0.0 11.268857955932617" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1.4896843034544636 stress="-2.410449572000254 0.2478807756025201 -0.44366869837822975 0.2478807756025201 -2.74790252243287 -0.6776725632066904 -0.44366869837822975 -0.6776725632066904 -2.910660282952583" pbc="F F F" Kr -0.09241926 0.09262900 0.09204096 -0.02389035 -0.03277804 -0.05218502 Kr 2.99188257 2.66007658 -0.11306290 -0.03732611 0.08973109 -0.00671374 Kr 2.64079445 0.11153835 2.74498439 0.05516015 -0.08009525 -0.00152915 Kr -0.13626403 2.83287186 2.67416825 -0.02230126 0.04907085 0.02115942 Kr 5.53175735 -0.03420984 -0.04245810 0.03628042 -0.04764083 0.00848506 Kr 8.49078980 2.57443069 0.05517012 0.00814181 0.04764073 -0.03067097 Kr 8.27499863 0.18564236 2.97208429 0.05387121 -0.20715604 -0.17148706 Kr 5.78745240 2.98039716 2.93958957 -0.11359506 -0.05784157 -0.03323310 Kr -0.02248030 5.78131425 -0.12164601 0.00476419 -0.04509581 -0.03324215 Kr 2.99218400 8.44503621 0.12750193 -0.05143392 0.03359860 -0.07874478 Kr 2.76666017 5.59921780 2.74931580 0.03056154 -0.04796208 -0.02061895 Kr -0.03680931 8.35852415 2.62589451 -0.01119003 0.06177620 0.02681557 Kr 5.79425080 5.78355830 0.24284059 -0.09114566 -0.10309282 -0.19463318 Kr 8.55544806 8.47875665 0.11131691 0.01328689 0.03253503 -0.01095530 Kr 8.26907035 5.72283976 2.78891447 0.18944916 -0.06505325 0.04594204 Kr 5.47274585 8.30295678 2.82856114 0.04390085 0.13478105 0.07843351 Kr -0.12334412 0.06448052 5.68717837 -0.04812978 -0.06080790 -0.06568553 Kr 2.66337122 2.63260497 5.39572743 0.05459806 0.09493211 0.07682401 Kr 2.68493799 -0.13216084 8.29887794 0.02411080 -0.03473346 0.01645525 Kr -0.06609170 2.60385238 8.40641680 -0.00350522 0.07483554 0.03510763 Kr 5.86126200 0.03686821 5.74386997 -0.12051230 -0.04279316 -0.00439483 Kr 8.66813238 2.58881876 5.45530176 0.05574309 0.20926234 0.14575302 Kr 8.48396486 0.21307864 8.44895358 0.03122019 -0.01668827 0.05206316 Kr 5.33643643 2.66763690 8.48768793 0.00964551 0.06373941 0.00333884 Kr 0.19309621 5.78601504 5.41136779 -0.06786490 -0.07156955 0.03980069 Kr 2.99404160 8.38902159 5.74268452 -0.03156055 0.07508674 -0.08212464 Kr 2.63571824 5.87008062 8.50339347 0.09098464 -0.22046402 0.04061351 Kr 0.11135716 8.30750131 8.27931722 -0.14457040 0.14013644 0.02816533 Kr 5.67486625 5.68004147 5.56410455 -0.05937796 -0.06445070 0.03999593 Kr 8.51430753 8.37231041 5.32547002 0.01501263 0.06977201 0.05305265 Kr 8.28388518 5.72644462 8.25777356 0.06112192 -0.05572581 0.03071884 Kr 5.49720768 8.23621543 8.52340687 0.04855046 0.07705040 0.04349395