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=-5.9364682934054835 stress="0.00024231281051496356 -2.412719022291764e-05 5.833843828447787e-05 -2.412719022291764e-05 0.00034370091435966584 -2.94733155364259e-05 5.833843828447787e-05 -2.94733155364259e-05 0.00025608056802954354" free_energy=-5.9364682934054835 pbc="F F F" H 20.97874189 20.85801900 21.18118055 0.57339718 0.48754289 -0.03894654 H 22.34000645 22.16144642 20.92698340 -0.42097156 -0.55462498 0.13133837 H 22.34534147 21.01329996 22.71629914 0.01871298 0.29096269 0.30063042 H 20.77999345 22.89481576 22.15954534 0.20689045 2.32134784 -1.57639794 H 24.02922005 21.02242936 20.99562463 0.45756331 0.67645305 -0.00057463 H 25.27696427 22.41661558 20.96512192 -0.01151230 -1.92359585 1.48760750 H 25.72586561 21.29391194 22.22614529 -0.53770778 1.30681328 -1.49898446 H 23.73424858 22.49497800 22.46824983 -2.79063003 2.89136470 0.03330370 H 20.89362841 24.23573857 21.23108303 0.94133225 -1.25852979 1.59550764 H 22.27538150 25.20296332 20.84887301 -0.02777738 -1.36574479 0.46887852 H 22.72083292 23.58209589 22.48735431 2.76312594 -2.90228813 -0.07932128 H 20.92340175 25.40698366 22.68107110 1.43659359 -0.53669008 0.95408345 H 23.82825321 24.38653725 21.09995250 -0.72158714 2.00334506 1.29268276 H 25.76120756 25.36638375 21.25226748 -0.68654800 -0.22905584 0.73409548 H 25.45620879 24.04396501 22.63718838 0.04786454 0.72639036 -0.00841928 H 24.20379337 25.58474656 22.26922180 0.24149456 -1.63533585 -1.81418138 H 20.78229695 21.02031036 24.18745344 0.35280372 0.46278367 0.54160126 H 22.53837135 22.08546202 24.27711528 -0.08228131 -2.56522866 1.53510335 H 22.37871118 20.75213077 25.23125112 -0.06322378 2.36688813 -1.87295926 H 20.71824351 22.60579306 25.26429260 0.28355271 -0.23633255 -0.37641519 H 24.28554431 21.21980528 24.29977655 0.48456369 2.60913755 2.74663547 H 25.58939352 22.45460942 24.07327937 -0.45698619 -0.95627061 0.67293118 H 25.69989723 21.12961200 25.37425859 -0.73100042 0.65238899 -1.09064370 H 23.98947006 22.26564846 25.38507600 0.37744762 -2.22945418 -2.57620185 H 21.29768454 23.98273691 23.86065667 0.72224269 0.53598023 0.73849399 H 22.40139211 25.59047154 23.65851566 -1.50708370 -0.39003220 -0.85435105 H 22.21755886 23.85541431 25.39917148 -1.78953331 1.29834657 -1.07961855 H 21.26235339 25.34838096 25.47028847 0.88183849 -1.41452805 -0.08830027 H 24.21211731 23.94968690 24.29594673 1.36974373 0.21313155 1.42761410 H 25.75741611 25.49042854 23.91129778 -0.04834292 -0.30991128 -0.26586435 H 25.47664413 24.09554770 25.52201293 -1.33838722 -0.15170391 -1.30802585 H 23.59646059 25.42534241 25.48566276 0.05440558 -0.18354979 -0.13130161