32 Lattice="6.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 6.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-94.573457129091 stress="178.0401144288654 -7.272748692435616 0.46532211338853813 -7.272748692435616 174.1716097563108 -0.6942935009047346 0.46532211338853813 -0.6942935009047346 173.32691062213127" pbc="F F F" O -0.08820902 -0.15739184 -0.13356896 1.83175322 1.76529141 1.10857930 O 1.36399723 1.34060950 0.16102698 5.07160849 -5.00876466 4.12612932 O 1.66613242 0.20538023 1.59507746 5.48067135 3.25845607 1.87028827 O -0.28272095 1.64745835 1.62003647 3.59258644 1.18508122 1.64398102 O 2.60105415 0.22405307 0.03343310 -5.82760355 6.63980228 5.92411835 O 4.73522695 1.50998715 0.04226511 -6.06723891 2.47469123 6.35293157 O 4.73332704 -0.15303450 1.40484324 -1.93633196 3.10311904 0.10307564 O 3.41055115 1.69836841 1.22202902 4.60345050 11.64547243 -6.76163836 O 0.05196532 3.17076767 -0.08936839 3.49048644 3.30370673 5.13810317 O 1.49159252 4.41601681 0.00867684 0.82936305 -6.58308824 7.03418670 O 1.75168999 3.26014671 1.30905098 7.33555869 4.78133350 -4.92681794 O -0.20445394 4.33924776 1.27988235 3.82781511 -4.00026237 -2.60539659 O 3.04995444 2.74196748 0.23390655 2.85898823 -2.58932180 15.47633454 O 4.73268927 4.30724036 -0.22831517 -2.16805534 -1.92373727 2.40966521 O 4.40432376 2.91877888 1.33040515 -12.74377689 -6.56414082 -4.01359238 O 3.01961341 4.34788163 1.07789886 -5.01176999 -11.25078407 -0.90097363 O 0.26342837 0.02166201 2.99203014 3.68567341 3.16897825 -0.21949649 O 1.69853236 1.76870191 3.27768871 -4.36589666 5.49682052 6.35704472 O 1.29136233 0.29833747 4.74852369 -4.65597596 7.70015881 -3.50625169 O 0.19983420 1.49796014 4.77945073 10.65288572 -0.13010297 -4.68092816 O 2.71970202 0.05379886 2.77884468 -4.41723929 5.48958104 -5.25187112 O 4.23189602 1.30194990 2.96345893 -5.67119424 -0.50115412 0.34697580 O 4.30267498 0.15312156 4.72408734 -4.39971863 5.96621999 -2.62241860 O 3.26170850 1.48466771 4.53938663 3.14074343 -3.74195343 -4.81215577 O 0.25957166 2.79537451 3.06373601 9.24365553 -0.58800984 5.07765654 O 1.21644945 4.43933915 3.04282971 -4.66250812 -6.07378770 4.70146351 O 1.24493589 2.76585844 4.41578305 -5.59339191 -7.48269879 -11.90868775 O 0.13874167 4.35967490 4.27226637 7.02993495 -4.21072008 -7.16741224 O 3.10736720 3.29845149 2.77664173 4.86015003 4.46836759 -1.21116558 O 4.23867007 4.26945955 3.22865171 -9.37394931 -8.04675210 1.56411094 O 4.50995068 3.21719088 4.75377581 -3.48792641 1.65956626 -4.15613503 O 2.95277718 4.53075476 4.53460533 2.84725258 -3.41136811 -4.48970329