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=37548.49169828823 stress="-164892.57527501122 -16858.485802573123 -24490.796255647118 -16858.485802573123 -132977.18766244935 -44213.468644888926 -24490.796255647118 -44213.468644888926 -187749.3832753111" pbc="F F F" Hs -0.00009176 -0.23269964 -0.01230017 -373.09911176 -96.13379020 -264.94722572 Hs 1.30744158 1.83417382 0.21394378 6861.49147791 -1074.01197569 -5295.11851233 Hs 1.68573759 0.00660120 1.12858861 -2242.08998008 -2627.54388928 -239.11473418 Hs 0.01805438 1.78610643 1.26651400 -6358.31890796 -2643.67888193 6383.37095473 Hs 3.11318000 -0.18770956 -0.17692845 349.40152985 -266.96390963 -1048.97779400 Hs 4.36838109 1.74117012 -0.04765640 8361.16554089 -8479.00609389 -4260.49157210 Hs 4.32314168 0.24826503 1.39383568 1103.46040904 -1120.62311077 131.06386087 Hs 2.73795371 1.27806993 1.77899530 10375.79711734 -572.49719363 -7290.43667339 Hs 0.09030242 3.22746636 0.20313075 -14331.81239482 -30363.40901527 -16384.49769364 Hs 1.23114056 4.20836786 -0.17720831 15787.11595278 12751.46760329 -6605.80334525 Hs 1.72183307 3.50137681 1.69450202 -7630.38769669 -37247.61042755 -40744.67247424 Hs 0.00482954 4.34185393 1.21745499 -3488.56966872 21892.37681528 20565.00941956 Hs 3.16145986 2.78688503 0.25216238 -30826.04635669 3694.47903479 -20702.64560695 Hs 4.38764449 4.71725836 0.16373728 159.74670401 313.05961844 -258.96703270 Hs 4.22981220 2.94499573 1.28810816 23566.00992847 7170.33439024 20241.24883798 Hs 2.82794292 4.74125471 1.72807564 17025.49418837 10298.11934200 -12325.75040253 Hs 0.07719058 0.08910726 3.27499830 -36760.16661786 6034.50011620 -36243.47229655 Hs 1.55301740 1.62688313 2.80052431 -9227.44731734 2350.93616815 8161.67641387 Hs 1.10030717 -0.09652181 4.27756814 35262.32817292 -6942.72244082 36803.63141595 Hs 0.06171088 1.71657067 4.44591830 -156.46919224 -2585.16103570 4371.39320881 Hs 2.71429305 -0.12893494 3.35567884 773.20325130 -779.44960301 -1432.05177897 Hs 4.56972084 1.84140183 2.62541023 2923.12654445 -3195.19416605 2894.80516842 Hs 4.25373743 0.03841475 4.52010960 1514.88184622 -833.28116104 600.50703920 Hs 3.06989484 1.54300697 4.50698318 -681.68429521 913.25213036 367.41861273 Hs 0.00362558 2.82456405 3.13197002 -890.39941594 3569.13823715 -3737.77623211 Hs 1.77106928 4.39254197 2.83150161 -11109.97473468 28389.10830612 51154.47905068 Hs 1.67612402 3.25822370 4.52613734 -9775.08452963 -13295.54243334 740.24567861 Hs 0.10410934 4.54061527 4.42325532 -438.42798493 494.92680339 145.26035624 Hs 3.14039922 2.95574424 2.76871831 -901.83087442 907.69335037 3081.19672474 Hs 4.49828906 4.58584654 3.32854774 292.98740318 785.83385132 -645.52232016 Hs 4.45370889 3.17652568 4.67200414 242.90659616 -555.44754344 729.02592752 Hs 2.65065292 4.49551502 4.51093001 10592.69241607 13113.05090412 1109.91302491