32 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=-159.24538207489795 stress="0.002761532139994121 1.9016822545426294e-05 0.0004796583886119633 1.9016822545426294e-05 0.0028906194894057677 -5.5145412759725184e-05 0.0004796583886119633 -5.5145412759725184e-05 0.0023403495195314537" free_energy=-159.24538207489795 pbc="F F F" B 20.83615751 20.86574319 20.83266175 3.28900099 3.49315632 3.09459969 B 22.52137724 22.45084563 20.91933838 2.13583078 2.62986765 8.74671842 B 22.24087511 21.29191780 22.57512578 0.20787060 8.38075289 1.62665585 B 20.82510392 22.75531656 22.35304570 9.04977440 2.76120739 0.30084911 B 24.06170124 21.26597582 21.10023778 -6.14063177 -8.25660499 -6.22659634 B 25.41505425 22.27996437 21.13562864 26.81699105 -0.87727395 -23.84071932 B 25.34476433 20.89648381 22.57321590 -6.35274134 9.25036126 -3.25111846 B 24.35671762 22.34606090 22.23265023 -26.12708073 15.03406798 45.41704076 B 21.20909915 23.98306753 20.77579591 7.64801200 -0.99427110 9.38648889 B 22.26649722 25.74697878 21.00590884 0.00421626 -9.42924428 5.72073956 B 22.52974357 24.24025631 22.21420917 -1.23247620 0.98414334 -0.23402354 B 20.76393696 25.32422806 22.61972022 5.74059803 11.10818017 -17.53426366 B 23.76803805 24.03749156 20.97681524 -2.76405532 -2.78047340 7.14551171 B 25.44090796 25.59956330 20.72543011 -2.71299287 -2.63245258 2.53592280 B 25.48942593 23.93249704 22.61238862 -8.21643166 -4.31840436 2.40114976 B 23.93546933 25.59668448 22.73938497 -2.03772618 -10.15706025 2.30007683 B 21.25936034 21.18757726 24.12371566 8.09392022 4.23989173 -3.23145427 B 22.69098701 22.71772763 23.93921413 -2.12223112 -0.65184328 1.54906649 B 22.87497457 20.91585062 25.40106904 2.11866579 7.33813601 -6.85912419 B 21.26913882 22.44020022 25.27992725 8.28374257 3.43700643 -4.11468017 B 24.12265344 20.70178246 23.77963124 -0.36793850 7.22322623 2.96758494 B 25.61994323 22.51752766 24.06752192 -8.20285422 1.87710438 -0.46554309 B 25.20194909 20.87506204 25.43741675 -6.58053739 6.24144589 -5.83096994 B 24.12744689 22.46179749 25.60648835 0.05970422 -1.03399055 -8.15057040 B 20.81649600 24.21224302 23.73219888 8.51497653 -17.71995817 14.73510903 B 22.46377771 25.23026213 24.42614083 0.03804704 -7.11777603 1.75697083 B 22.52672168 23.93367479 25.76139998 1.46619633 0.02437491 -10.29306398 B 20.84546349 25.59243610 25.61841611 4.88336480 -3.53148313 -4.29197439 B 23.74259872 24.16219340 23.90459938 -0.81853685 0.07762476 -1.74683303 B 25.63860270 25.65188098 24.11656219 -5.56040659 -6.31738865 -0.34663328 B 25.43681206 23.94654105 25.26013616 -6.36186029 -2.33797390 -6.98452828 B 23.90259375 25.63522567 25.77579817 -2.75241059 -5.94434872 -6.28238832