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=217.57233144174324 stress="-0.0012691303064424446 0.0004672279802862009 -0.0009815787714129599 0.0004672279802862009 -0.001422984165501991 0.00047618225827627105 -0.0009815787714129599 0.00047618225827627105 -0.001903750609618825" free_energy=217.57233144174324 pbc="F F F" Si 35.10312726 34.77506826 35.49039933 -3.19559763 -1.54879397 -1.29567021 Si 36.68780757 37.01021268 36.62317368 -10.27011230 3.31295443 -2.06718574 O 36.96793912 37.42693925 34.70567793 0.86218208 -2.78188425 8.01093491 O 39.34204825 38.64942420 36.12980498 8.24325474 -3.34725316 8.01860861 O 37.27125868 35.05100805 38.05807179 2.69304266 5.90229659 -5.61628377 Si 39.19745798 36.40964872 38.51356128 -19.54588990 -13.40829750 14.64274785 O 34.98370231 37.60775945 37.47501395 6.61865244 -3.76907232 -3.62645954 O 36.76080726 39.57430568 38.62464005 -69.55339996 -52.95647860 147.08329166 Si 39.69947704 34.76585771 35.12414001 -6.81696611 -8.07001858 -9.26811300 Si 41.34355442 36.12276968 36.08924335 4.58301861 1.75951664 -18.45731067 O 42.36557685 37.55948738 34.69967256 -2.66719580 -2.04178319 10.16021546 Si 44.11561839 38.92082476 35.95160561 5.11197246 1.57206410 -8.56954436 Si 42.45663229 34.88101038 37.19923323 8.40089735 -17.13283660 -3.27026299 Si 42.89942780 36.23604408 38.85341892 11.23546262 -8.52934289 1.15446205 Si 40.21493861 37.42642281 37.18451024 -12.87824449 10.52815478 -13.22783253 Si 41.17357189 38.57493726 38.44013001 -1.67550828 18.47311126 2.87300312 Si 34.95690807 40.59105289 34.66751270 4.16587066 2.28617116 3.52547662 O 36.41751857 40.73635886 35.63013761 -3.42231331 -5.18960698 -0.80822714 O 37.79181884 42.92865612 35.61417617 -0.90634100 -3.28013930 -1.07209432 Si 38.95437292 43.68398438 36.05538600 2.44623625 8.46117620 0.55751794 Si 37.28481291 39.92291825 37.61138709 69.41254633 56.12500877 -156.20826036 Si 39.03161551 41.60104396 38.79036911 -3.29114264 6.50006689 2.79128155 O 35.18562852 43.31581076 37.11514172 3.56320413 0.44738805 3.72649670 Si 36.47911164 43.74930750 38.78132051 -2.87182603 -3.60861335 3.40516378 Si 40.10294139 40.44731917 35.09243241 -7.34189302 -4.39866537 -9.24600108 Si 41.02592992 41.65113724 36.07221596 6.57278244 13.47343133 4.07755196 O 42.73049179 42.76419800 34.87951049 -37.95668088 -43.78945792 -32.33106224 O 43.65217772 43.83421734 35.88108015 31.85540565 35.45727495 37.99305780 O 42.31621493 40.26484645 37.63650003 1.38536396 -4.07391598 1.65104596 Si 43.98140506 41.13692653 37.95554359 0.86320426 4.93254769 -3.19240036 O 39.81613781 42.10342270 37.43240775 1.63775855 -6.31184132 -0.79485291 O 42.02119328 44.06815272 38.93248695 0.18814468 -9.66515907 6.21322109 Si 34.64184311 35.12409218 39.96545628 3.80399426 -1.13180569 2.43738192 O 36.59112459 35.47857068 41.23199023 -207.40215023 131.68998483 -216.71121833 O 37.56834819 37.90894010 40.27494560 9.88300962 -0.02548616 2.87412806 Si 38.94910272 38.19218773 41.22066099 -10.48315824 -0.26261905 1.89969709 O 37.47455913 34.90990620 42.17416671 197.50755241 -129.41710382 212.35665334 O 38.97566399 35.67002805 43.87460910 5.95402337 3.85751636 3.12171980 Si 34.81336004 37.51502925 42.58497451 -1.89211401 -4.28333335 -2.25869585 Si 36.17784154 39.10167722 43.72668393 5.73089133 4.20686400 4.26038882 O 39.05449039 34.97264351 40.04475715 8.98536379 6.43205670 -8.87124674 Si 41.84053643 36.70130887 41.24708197 -7.54862121 -2.39416835 7.03539764 Si 42.79348332 37.88170332 39.96903749 15.15338663 16.20914876 10.57406145 O 44.16991875 38.65792088 40.90346651 -9.31323058 -7.11741160 -6.09602083 Si 42.30382926 35.42342340 42.71012050 -6.64203461 -12.91983310 7.47928119 Si 43.93448303 36.52931385 43.68306888 9.61175507 0.59785023 8.10820291 O 40.40658146 36.75110570 41.69753007 6.44827743 6.61386757 -3.75549699 Si 41.17417261 38.46221498 43.76073950 -6.77188565 4.13174574 4.52059156 O 34.99628282 40.09688512 39.92440248 -2.07372103 1.13465286 6.31312710 Si 36.38768139 40.99848456 41.60203474 -7.90766777 8.99095743 -1.82496491 O 37.20925024 42.56189841 39.82669840 -43.78420169 -34.13736049 -44.56683906 O 38.32683866 43.42605562 40.78916316 47.49921917 31.50752907 35.94105364 O 38.31368554 39.54855426 43.28979952 -3.03882297 -5.68510706 -4.25587774 O 38.81961223 41.88006075 44.14751685 3.80285500 1.60881443 -2.59605251 O 34.89426473 41.94546387 42.17382137 5.86140973 -5.61465668 -1.51733039 O 36.41161539 44.00781075 43.93259008 0.30527806 0.00396579 -0.07680088 O 39.67501009 39.66142093 39.95637066 3.42427405 -4.74891273 -4.19668207 O 41.69138345 41.00058087 41.68113249 -134.63964711 218.58842316 -153.08311151 Si 42.00714305 42.57106846 40.03412094 -4.96206834 6.80699318 -4.76852600 Si 43.50042880 43.20492473 41.36733589 4.81546826 5.87515861 5.14426131 O 42.34885626 39.96350480 42.40551208 138.18021129 -216.91505902 155.98273280 Si 43.25177315 40.56899232 43.83981795 -2.16923471 2.72027387 -2.74820842 Si 40.34138842 42.93746258 42.61900494 -4.63966407 1.89288538 8.04296259 O 41.85495863 43.68754704 44.04826199 -1.14463577 -3.54383334 -5.59708486