64 Lattice="70.0 0.0 0.0 0.0 70.0 0.0 0.0 0.0 70.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=3770.596207190385 stress="-0.05130868055347966 0.025647597181148275 -0.008243621609767696 0.025647597181148275 -0.054851619684164785 0.012112067780697115 -0.008243621609767696 0.012112067780697115 -0.05097221538150757" pbc="F F F" Rg 35.28568345 34.65036311 34.60286106 0.85974216 1.15062218 1.14589616 Rg 36.14826559 36.85123316 37.00527172 704.91319001 -693.66649995 -28.72032192 Rg 37.21150740 38.08051084 35.48414845 4.22883925 8.93681891 -5.76870009 Rg 39.04264157 38.63478281 36.92857268 -6.82119653 7.83819750 -6.37538212 Rg 38.23604752 35.19071656 37.00604564 -26.55848443 -67.76637211 -115.80993109 Rg 38.63121013 36.20447638 38.60719960 -25.69717249 50.72866476 152.06178640 Rg 34.93955464 38.02718792 37.07247424 -701.94685677 689.85399029 38.81063906 Rg 36.20656768 38.69323500 39.18796007 169.52182589 -215.25132923 -242.38202539 Rg 39.68318974 34.88273135 34.62188571 1.24320083 2.49046527 4.56745374 Rg 41.47844037 35.88193084 36.25245678 -5027.89245792 5188.38361590 -3477.26949105 Rg 42.32691520 37.03438418 34.66779460 10.37475261 15.28690267 -17.04679079 Rg 43.85682575 38.89317145 36.38494888 355.53379294 -295.63144561 -340.22933433 Rg 42.38282007 34.94442882 36.87686133 5034.43401138 -5216.05387974 3477.76406904 Rg 43.70762915 36.33408795 38.88401890 82.83353491 -67.27732865 -83.08575125 Rg 40.19814145 36.93451442 37.55457472 43.24890156 16.91679210 -9.27435591 Rg 41.17441108 38.86258799 38.33439588 -30.26443703 -42.03018734 -14.39277973 Rg 35.46063063 39.86183155 34.97959720 4.28052320 0.66303968 5.21724765 Rg 36.57694055 41.52818354 36.68925274 1908.89530012 -1706.48838310 151.13773030 Rg 37.30639571 41.71682747 35.18137429 434.55322054 110.25972145 -892.68957153 Rg 39.05573392 43.37401742 36.54826221 -9.68056029 0.69736495 -5.84238766 Rg 37.95134357 40.28538106 37.93583570 -504.19298346 -965.73719290 -647.68856365 Rg 38.60427762 41.54321003 38.79297082 638.31032570 888.06814871 601.85359446 Rg 35.33175790 42.37685765 37.08369272 -2344.17752659 1596.44376920 742.69761039 Rg 36.46588526 43.61953262 38.74107913 -434.62499153 1100.32325779 -621.29612276 Rg 39.77636700 39.79634678 35.05129842 -9.16568172 -8.01521438 -5.55199588 Rg 41.09056422 41.34452941 35.92339579 12.10694989 7.24227020 3.70128467 Rg 42.73026565 43.02731984 34.94245916 -124.37836018 -94.05515054 -108.89176370 Rg 43.95803478 43.94722456 36.05591515 121.59970250 90.25855248 112.55723332 Rg 42.76543877 39.79200224 37.42325257 -506.63796553 -164.37774120 173.01845955 Rg 43.37165580 41.37799823 37.89638674 180.98706535 485.38861505 143.42323376 Rg 40.39686107 42.23981668 37.90252418 -211.70182030 -412.63913903 -461.29246971 Rg 41.03364868 43.31762714 39.10482248 218.04741486 413.46200716 457.23229437 Rg 35.02704482 35.24483045 40.40136750 -208.42232998 -102.71322211 -162.46751129 Rg 36.38190460 35.91722826 41.45365050 -1275.57525943 1905.30032293 -2664.00758671 Rg 37.52044722 37.78436093 40.83327362 -619.19676799 -425.49459744 -340.95543195 Rg 38.80290713 38.66413170 41.54015206 -621.28545333 1191.03989405 -226.34428510 Rg 37.00167218 35.16398312 42.63499168 1381.40928812 -1871.69616183 2719.42122453 Rg 38.19018096 35.97980193 43.89279703 101.86765893 73.65920087 104.71675472 Rg 35.36183567 37.74423602 42.68867538 -147.14641154 -108.94955362 -164.59509713 Rg 36.50673935 38.56589125 43.90560149 144.75619322 93.50411593 165.24942021 Rg 40.08131986 34.73949707 40.42818894 -6.42401769 -5.11327509 -9.51360846 Rg 41.04659180 36.18257902 41.79835684 -415.84711152 230.75138451 -177.00863069 Rg 42.48325129 37.29585234 40.03764307 -90.96686638 70.04581898 82.68170319 Rg 43.27974397 39.14337043 41.53810566 706.72050516 -1222.07403943 -1040.39972932 Rg 42.45127616 35.25999584 42.29052963 472.78725895 -308.66042358 164.10103884 Rg 43.95260094 36.45261331 43.84392764 -1.96498320 0.59730583 -1.84143946 Rg 40.10120285 37.87471916 42.13417339 1179.35024543 -680.83869058 563.04266140 Rg 41.17643585 38.88576817 43.64623315 13.06227901 14.75599195 21.80304073 Rg 35.35645756 39.78185197 40.36191978 -171.71744202 204.75792125 232.73367293 Rg 36.24629737 41.74785681 40.82889911 -502.16567556 -965.95040922 1150.59713784 Rg 37.00517321 42.26193759 39.50873971 1179.31953693 -425.98684904 -894.38241049 Rg 38.00640029 43.42067042 41.13389467 3.18504311 2.30451094 6.91273717 Rg 37.62656993 40.21535965 43.01392805 -160.83649755 -76.10717242 -69.88273453 Rg 39.22480994 41.06121106 43.55468322 -475.91491170 -1596.88161400 2165.71373476 Rg 35.24928086 42.65947122 41.91259727 -396.74717694 355.68169335 420.81673336 Rg 36.01467091 43.93581903 43.58704378 4.87506534 4.70085517 5.98936945 Rg 40.74507786 39.85292688 40.10427157 -36.27776946 -54.60517390 -17.48764976 Rg 41.25395908 41.35349421 41.28777748 39.39986923 78.25428012 20.48798208 Rg 43.10236111 43.10906739 39.61537658 24.01769701 -5.34673411 7.90967096 Rg 43.99629116 43.02325595 42.06425760 -1.39755207 9.35040630 -11.97337372 Rg 42.62362827 40.26981646 42.49655365 -864.91874473 1039.41748995 898.34072269 Rg 43.72746063 41.36297447 43.48583657 168.65061959 158.38087755 162.65339702 Rg 39.59043089 42.00998768 42.36621533 616.28630864 1696.48240679 -2090.92260134 Rg 40.99820315 43.64815554 43.89390006 -1.11439654 -3.96951257 -2.96970624