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=-19.148173776947544 stress="0.0007542654367283259 3.620591880118571e-05 -8.476152042049545e-06 3.620591880118571e-05 0.0007836371773482599 -1.749629786661681e-05 -8.476152042049545e-06 -1.749629786661681e-05 0.0006920170396181619" free_energy=-19.148173776947544 pbc="F F F" N 21.05280714 20.91333883 20.84655491 2.82014635 1.66098846 2.06116540 N 22.37241235 22.32230844 20.91049160 -1.92028296 -1.92436448 3.81045289 N 22.22286420 20.93858073 22.25205420 -2.36213333 2.67818246 -3.00827109 N 21.15488783 22.55988540 22.20245745 2.29550490 -0.98608951 -2.95729942 N 24.16431082 20.81425730 21.20055796 2.28331424 0.96472996 1.33937683 N 25.53277713 22.34940664 21.16960808 -0.96524218 0.25097180 2.21878367 N 25.61808133 20.77262161 22.57501091 -1.44769070 0.55348365 -1.77109217 N 23.76716069 22.69410236 22.33096497 -2.70200098 2.70340226 0.55209859 N 20.88201197 23.90965005 20.72002482 0.27974015 -1.14294925 1.19640464 N 22.51819327 25.41661558 20.96512192 0.82871573 -1.39873596 0.59992656 N 22.72586561 24.29391194 22.22614529 1.09592380 0.89176607 -0.15259809 N 21.02103145 25.27761356 22.68220204 2.00437883 -1.01421622 0.73821437 N 23.91564134 24.23573857 21.02724172 0.36136501 1.18589276 1.13714432 N 25.27538150 25.20296332 20.77421542 -1.62930096 -1.12979060 0.36948528 N 25.72083292 23.78984966 22.48735431 -1.66140629 -0.61209596 0.47159502 N 23.92299150 25.40698366 22.68107110 -0.66588308 -2.92612976 2.93321521 N 20.87201492 21.13102478 24.09995250 0.42982098 1.43812742 1.17634644 N 22.76120756 22.51193751 23.97278278 2.28543693 -0.67081917 -0.11323615 N 22.46431997 21.04396501 25.57236142 1.34851924 1.32913488 -1.32238628 N 21.20379337 22.73854596 25.26922180 0.91664287 -1.43851696 -2.26654646 N 23.97503686 21.02031036 24.18745344 0.36698693 2.94794363 2.63711692 N 25.52015752 22.18693709 24.27711528 -2.04397797 -1.07633240 2.04984137 N 25.37871118 20.75213077 25.23125112 -1.35717906 1.84052389 -2.16682839 N 23.71824351 22.63616082 25.26429260 0.24055349 1.14598077 -2.13250708 N 21.12968218 23.98153195 24.35309859 1.24311005 1.73864708 1.41820133 N 22.56980279 25.45460942 24.07327937 -0.76558049 -2.49030849 0.83552884 N 22.93100412 24.12961200 25.37425859 1.63971872 1.92092700 -2.39337227 N 21.15720406 25.26564846 25.38507600 1.84648310 -1.42080299 -2.41918196 N 24.29768454 23.98089712 23.86065667 1.61507057 0.75640612 -0.29992792 N 25.67089611 25.47011124 23.70220318 -2.26273663 -1.98462313 -1.31143059 N 25.21755886 23.85541431 25.39917148 -3.59516099 -0.17862432 -2.45393675 N 24.27518614 25.34838096 25.71005355 -0.52285628 -3.61270905 -0.77628303