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=-19.14817377301879 stress="0.0007542654805555134 3.620590303779446e-05 -8.476124651489055e-06 3.620590303779446e-05 0.000783637702958232 -1.749603847598466e-05 -8.476124651489055e-06 -1.749603847598466e-05 0.0006920173611236106" free_energy=-19.14817377301879 pbc="F F F" N 21.05280714 20.91333883 20.84655491 2.82014563 1.66098802 2.06116494 N 22.37241235 22.32230844 20.91049160 -1.92028252 -1.92436476 3.81045382 N 22.22286420 20.93858073 22.25205420 -2.36213280 2.67818300 -3.00827136 N 21.15488783 22.55988540 22.20245745 2.29550477 -0.98608908 -2.95729965 N 24.16431082 20.81425730 21.20055796 2.28331447 0.96472991 1.33937702 N 25.53277713 22.34940664 21.16960808 -0.96524221 0.25097177 2.21878366 N 25.61808133 20.77262161 22.57501091 -1.44769092 0.55348366 -1.77109241 N 23.76716069 22.69410236 22.33096497 -2.70200125 2.70340256 0.55209790 N 20.88201197 23.90965005 20.72002482 0.27974027 -1.14294939 1.19640488 N 22.51819327 25.41661558 20.96512192 0.82871579 -1.39873587 0.59992648 N 22.72586561 24.29391194 22.22614529 1.09592373 0.89176454 -0.15259842 N 21.02103145 25.27761356 22.68220204 2.00437876 -1.01421623 0.73821437 N 23.91564134 24.23573857 21.02724172 0.36136451 1.18589301 1.13714455 N 25.27538150 25.20296332 20.77421542 -1.62930071 -1.12979045 0.36948522 N 25.72083292 23.78984966 22.48735431 -1.66140603 -0.61209598 0.47159480 N 23.92299150 25.40698366 22.68107110 -0.66588179 -2.92612945 2.93321547 N 20.87201492 21.13102478 24.09995250 0.42982123 1.43812859 1.17634729 N 22.76120756 22.51193751 23.97278278 2.28543605 -0.67081864 -0.11323547 N 22.46431997 21.04396501 25.57236142 1.34851933 1.32913488 -1.32238630 N 21.20379337 22.73854596 25.26922180 0.91664266 -1.43851424 -2.26655022 N 23.97503686 21.02031036 24.18745344 0.36698698 2.94794399 2.63711711 N 25.52015752 22.18693709 24.27711528 -2.04397798 -1.07633223 2.04984130 N 25.37871118 20.75213077 25.23125112 -1.35717906 1.84052374 -2.16682827 N 23.71824351 22.63616082 25.26429260 0.24055365 1.14598048 -2.13250645 N 21.12968218 23.98153195 24.35309859 1.24311074 1.73866372 1.41822050 N 22.56980279 25.45460942 24.07327937 -0.76558077 -2.49030836 0.83552906 N 22.93100412 24.12961200 25.37425859 1.63971845 1.92092634 -2.39337219 N 21.15720406 25.26564846 25.38507600 1.84648273 -1.42082344 -2.41919850 N 24.29768454 23.98089712 23.86065667 1.61507061 0.75640648 -0.29992839 N 25.67089611 25.47011124 23.70220318 -2.26273685 -1.98462293 -1.31143079 N 25.21755886 23.85541431 25.39917148 -3.59516119 -0.17862430 -2.45393689 N 24.27518614 25.34838096 25.71005355 -0.52285626 -3.61270935 -0.77628305