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=29.669359794849708 stress="0.0005711525871882816 9.20513386028917e-05 -0.00011283161224732519 9.20513386028917e-05 0.0003683182138758233 -6.928391854421665e-05 -0.00011283161224732519 -6.928391854421665e-05 0.0006045879203260069" free_energy=29.669359794849708 pbc="F F F" N 20.83694141 21.29004398 20.91258970 0.64700583 1.69652879 0.90538723 N 22.58501927 22.56603388 21.19798125 3.44316974 6.86244565 -1.13956516 N 22.63352743 21.22580078 22.42866320 -0.91117381 -0.42142979 4.47320044 N 21.18883157 22.45239498 22.54313966 1.62288599 -1.84329593 0.76618601 N 23.94832183 21.25980354 20.75020408 -1.91750737 4.30372970 -0.52745394 N 25.47216850 22.40295338 21.10338854 1.82668164 -7.16476169 1.36048603 N 25.74759167 21.11018303 22.43747587 2.89836102 1.60906988 -1.18137599 N 23.74663523 22.48702489 22.44857885 0.12608839 2.80427859 4.78191622 N 21.03471510 24.17061300 21.08231560 2.24564374 0.11425155 4.51002295 N 22.46863002 25.44630638 21.28190363 5.83548120 0.78765952 -7.18257404 N 22.64982991 23.74795387 22.32929456 0.77643145 -5.16351053 2.20924826 N 20.78747849 25.10633079 22.37993804 -5.14819943 -0.51260265 -4.58536006 N 24.19833778 23.82464588 21.26008946 -4.66501431 -5.18635864 16.06362080 N 25.37675974 25.32230465 21.43554637 0.63427302 2.80270859 1.26178019 N 25.25346517 23.76772449 22.27715687 -9.28275446 1.07806390 -14.26346978 N 23.74014891 25.58002809 22.32743118 -4.25386580 -1.64184067 -2.27750155 N 20.79546282 20.85467556 24.15699982 1.13697083 1.69604012 -0.76821931 N 22.22956938 22.33885520 24.03926819 12.58033508 8.85688887 2.05829960 N 22.73010044 21.09566688 25.62528982 2.37175192 2.83131672 -3.77996689 N 21.19830920 22.94428461 25.70692126 6.99174144 1.09802270 -3.51467461 N 23.79301824 20.73241985 24.07255377 -10.44613876 -2.96791034 -4.30058822 N 25.51129231 22.54358115 24.16911338 1.96162422 0.70141591 2.39382723 N 25.30454100 21.12365747 25.64634539 4.71809362 1.59160316 2.65867630 N 23.95297513 22.41848591 25.36894099 -15.36189219 3.92135767 -3.48593313 N 21.04737131 24.03238783 24.16993724 -2.22410933 -8.13494706 -2.30118598 N 22.36810690 25.62937675 23.75818085 7.80339262 1.92318568 3.49065962 N 22.59119645 23.79640878 25.42679513 6.40911566 -13.62929310 -6.97281123 N 21.27913633 25.35263676 25.68492541 -5.61976492 7.42937725 4.55508933 N 23.83178173 23.88323780 23.76192411 -6.71577932 -8.73432719 3.03637663 N 25.63870608 25.16671434 24.12263099 0.31305346 1.08369908 4.32199712 N 25.54530481 23.90948163 25.62593290 3.46808717 0.55578069 -2.93292950 N 23.84000708 25.39901191 25.29064847 -1.26398835 1.65285355 0.36683544