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=37548.49169828829 stress="-2.2256313475193195 -0.22754677954018224 -0.33056360349377234 -0.22754677954018224 -1.7948546007781228 -0.5967696340148041 -0.33056360349377234 -0.5967696340148041 -2.534140255848597" free_energy=37548.49169828829 pbc="F F F" Hs 20.99990824 20.76730036 20.98769983 -373.09911176 -96.13379020 -264.94722572 Hs 22.30744158 22.83417382 21.21394378 6861.49147791 -1074.01197569 -5295.11851233 Hs 22.68573759 21.00660120 22.12858861 -2242.08998008 -2627.54388928 -239.11473418 Hs 21.01805438 22.78610643 22.26651400 -6358.31890796 -2643.67888193 6383.37095473 Hs 24.11318000 20.81229044 20.82307155 349.40152985 -266.96390963 -1048.97779400 Hs 25.36838109 22.74117012 20.95234360 8361.16554089 -8479.00609389 -4260.49157210 Hs 25.32314168 21.24826503 22.39383568 1103.46040904 -1120.62311077 131.06386087 Hs 23.73795371 22.27806993 22.77899530 10375.79711734 -572.49719363 -7290.43667339 Hs 21.09030242 24.22746636 21.20313075 -14331.81239483 -30363.40901527 -16384.49769364 Hs 22.23114056 25.20836786 20.82279169 15787.11595278 12751.46760329 -6605.80334525 Hs 22.72183307 24.50137681 22.69450202 -7630.38769669 -37247.61042755 -40744.67247424 Hs 21.00482954 25.34185393 22.21745499 -3488.56966872 21892.37681528 20565.00941956 Hs 24.16145986 23.78688503 21.25216238 -30826.04635669 3694.47903479 -20702.64560695 Hs 25.38764449 25.71725836 21.16373728 159.74670401 313.05961844 -258.96703270 Hs 25.22981220 23.94499573 22.28810816 23566.00992847 7170.33439024 20241.24883798 Hs 23.82794292 25.74125471 22.72807564 17025.49418837 10298.11934200 -12325.75040253 Hs 21.07719058 21.08910726 24.27499830 -36760.16661786 6034.50011620 -36243.47229655 Hs 22.55301740 22.62688313 23.80052431 -9227.44731734 2350.93616815 8161.67641387 Hs 22.10030717 20.90347819 25.27756814 35262.32817292 -6942.72244082 36803.63141595 Hs 21.06171088 22.71657067 25.44591830 -156.46919224 -2585.16103570 4371.39320881 Hs 23.71429305 20.87106506 24.35567884 773.20325130 -779.44960301 -1432.05177897 Hs 25.56972084 22.84140183 23.62541023 2923.12654445 -3195.19416605 2894.80516842 Hs 25.25373743 21.03841475 25.52010960 1514.88184622 -833.28116104 600.50703920 Hs 24.06989484 22.54300697 25.50698318 -681.68429521 913.25213036 367.41861273 Hs 21.00362558 23.82456405 24.13197002 -890.39941594 3569.13823715 -3737.77623211 Hs 22.77106928 25.39254197 23.83150161 -11109.97473468 28389.10830612 51154.47905068 Hs 22.67612402 24.25822370 25.52613734 -9775.08452963 -13295.54243334 740.24567861 Hs 21.10410934 25.54061527 25.42325532 -438.42798493 494.92680339 145.26035624 Hs 24.14039922 23.95574424 23.76871831 -901.83087442 907.69335037 3081.19672474 Hs 25.49828906 25.58584654 24.32854774 292.98740318 785.83385132 -645.52232016 Hs 25.45370889 24.17652568 25.67200414 242.90659616 -555.44754344 729.02592752 Hs 23.65065292 25.49551502 25.51093001 10592.69241607 13113.05090412 1109.91302491