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=-45.59496553715769 stress="-0.00015620796195869952 0.00012476922261876768 -1.673201573062034e-05 0.00012476922261876768 -0.0002948792779461249 -1.794486122949396e-05 -1.673201573062034e-05 -1.794486122949396e-05 -0.0001640111120516143" pbc="F F F" N 20.98453339 21.10170120 20.87793365 1.12259271 2.00437723 1.40110393 N 22.20178077 22.50082602 21.24624097 -0.77844269 0.20916420 -3.62385440 N 22.64302402 20.85498893 22.61042859 -0.15526245 -0.22516471 -1.80864998 N 21.20947124 22.35512851 22.55280714 -3.36706765 -3.10338130 -0.53353575 N 23.91333883 20.84655491 20.87241235 1.92416724 3.01598214 0.85235032 N 25.32230844 22.41049160 20.72286420 -5.83462707 -2.46758800 -0.69744001 N 25.43858073 20.75205420 22.65488783 -3.06845551 2.33580634 1.71059363 N 23.92054207 22.20245745 22.66431082 2.49103767 -2.95518138 0.81536106 N 20.81425730 23.98844065 21.20367324 -0.00296202 -0.05710889 -0.77562288 N 22.36983098 25.37366136 20.96097674 -0.26675775 1.50814923 0.41521598 N 22.28219307 24.21813893 22.26716069 3.95257040 -3.65732625 -0.35960589 N 21.19410236 25.33096497 22.38201197 -2.91381993 3.34390823 1.26525424 N 23.93300593 23.72002482 20.77696427 5.83415015 -1.86301267 -1.54028833 N 25.41661558 25.16732510 21.22586561 -2.70407715 -2.95076997 2.22544047 N 25.79391194 23.72614529 22.52103145 0.35212608 1.75227759 0.29696284 N 23.77761356 25.39976090 22.39362841 -0.02230411 1.03058002 -0.08814811 N 21.09115288 21.02724172 23.77538150 1.86310184 -1.99396835 -1.40994395 N 22.20296332 22.24804449 24.48318630 -1.99357404 -1.63270377 -1.69270526 N 22.28984966 20.98735431 25.42299150 -1.26388798 -5.01440025 1.38294082 N 20.90698366 22.68107110 25.32825321 -3.65358309 4.36833998 1.95366440 N 24.13102478 21.09995250 24.26120756 4.90359872 -5.22824270 -3.59428313 N 25.36031848 22.75226748 24.17437352 1.77770247 4.21475871 -2.70608017 N 25.54396501 21.07236142 25.70379337 -1.98489811 -0.63534500 0.25058788 N 24.23854596 22.26922180 25.28229695 4.88990400 0.29574380 6.05250823 N 21.02031036 24.18745344 24.02015752 -2.40127715 2.48466667 2.24435449 N 22.59182508 25.77711528 23.87871118 0.50204163 1.59148953 -2.21244488 N 22.25213077 23.68093802 25.21824351 -3.24164021 2.49920045 1.64525483 N 21.13616082 25.26429260 25.62968218 0.44286584 -2.18476239 -1.08345860 N 24.21980528 24.29977655 24.18543805 5.56677995 6.38107286 1.54535119 N 25.75055615 25.73038396 24.19989723 -3.87622446 -3.37869822 -0.42710044 N 25.62961200 23.87425859 25.65720406 0.31697600 -0.49865701 -1.11699671 N 23.75607700 25.24194799 25.77432867 1.58924667 0.81079389 -0.38678581