108 Lattice="12.822420507987673 0.0 0.0 0.0 12.822420507987673 0.0 0.0 0.0 12.822420507987673" Properties=species:S:1:pos:R:3:forces:R:3 energy=-233.09587131683892 stress="1.4394927767694128 0.4625472123421366 -0.14673442005570791 0.4625472123421366 3.64997129676982 -0.7718818339650966 -0.14673442005570791 -0.7718818339650966 4.57563157541599" pbc="F F F" Si 0.02616527 0.03004371 -0.01144357 1.14468705 1.31717699 1.23399250 Si 2.11018657 2.11509873 0.00344974 -0.72677471 0.59452733 -1.25983928 Si 2.15371513 0.04248499 2.12527184 -0.13914518 -1.28213085 0.49310366 Si -0.00075241 2.10386500 2.13120472 -0.53881385 0.41500595 -0.00661574 Si 4.24373385 0.00919427 -0.00343892 0.32638168 0.97912338 0.96520439 Si 6.41132066 2.16566460 0.02469281 0.62749960 -1.30923070 -1.44977527 Si 6.43028097 0.01183571 2.17906017 -0.23922857 -1.33758039 -1.12364130 Si 4.29321684 2.12791273 2.07816571 -0.68169999 -0.60474664 0.61727002 Si 8.55252737 -0.02741409 -0.03839503 0.35257050 1.85710130 1.81517701 Si 10.69111052 2.17768701 -0.01597918 -1.56367733 -0.50151734 1.55549063 Si 10.67249885 0.03356772 2.11189243 -1.41412762 1.30850147 -0.61876302 Si 8.56193269 2.11425286 2.13095942 0.86931873 -0.46331762 -1.35298522 Si -0.04149881 4.35085463 0.00279801 1.67455623 -0.30687541 1.75909559 Si 2.11521383 6.42150289 0.02488529 -0.61985880 -0.48235735 -1.37641347 Si 2.15119025 4.26963283 2.13084913 -0.74657491 -0.41566078 -0.32136383 Si -0.01379906 6.41565516 2.15593253 -1.12000908 -0.48213429 -0.45271925 Si 4.29629818 4.25347506 -0.03158152 -0.32154829 0.79672790 -0.68794110 Si 6.41703479 6.46900680 -0.03159176 -0.31761462 -0.27777313 -0.93633517 Si 6.42896755 4.24608979 2.10828391 -0.87500924 1.11673540 -0.27638809 Si 4.27539376 6.44177996 2.10551642 0.29317736 -1.56999306 -0.71427213 Si 8.56909266 4.33562062 -0.00316603 0.57584069 -0.36364500 -1.57243904 Si 10.67121152 6.43189156 -0.03815943 -1.45636181 0.47532694 1.44226970 Si 10.70110124 4.24820567 2.10672325 1.18249045 0.05628823 -0.15458808 Si 8.55063951 6.33656996 2.13030642 1.60435360 0.71481581 -0.42880110 Si 0.02233955 8.57206897 -0.01213717 1.15270981 0.29509645 1.00780171 Si 2.07117186 10.68381232 0.00283485 -0.06887296 -1.33731980 1.33278824 Si 2.13171508 8.50852091 2.13988436 -0.44517095 0.47276856 -0.50550666 Si 0.02668173 10.66817392 2.14727646 1.04648829 -1.05029109 -0.28214521 Si 4.24650040 8.55777973 -0.03723002 0.27091658 1.15805123 -0.77915950 Si 6.40380680 10.66974908 -0.01184434 0.01091619 -1.64555382 1.62104036 Si 6.43029586 8.51631600 2.11899522 -0.19460451 1.71120110 -0.80899486 Si 4.23163455 10.68786309 2.11061078 0.68123780 0.39287787 -0.70346094 Si 8.53924400 8.57513246 -0.02088362 0.63680789 0.39279180 -0.29140084 Si 10.71506069 10.70404128 -0.02034235 -1.61245596 -1.67694258 1.58982990 Si 10.65812680 8.61248125 2.11866817 0.46012320 -0.15555519 -0.83440885 Si 8.57450544 10.69992600 2.17735999 0.02399886 0.93840005 -0.71783776 Si -0.02735635 0.04077467 4.29887361 0.80017327 1.03692571 -0.34725532 Si 2.14658596 2.13253060 4.30236515 -0.16923954 -0.15616021 -1.58534912 Si 2.12093186 0.00982130 6.36386403 -0.25036348 -1.59869819 0.46776963 Si 0.00384331 2.15418043 6.36222903 -1.87493381 -0.51918392 0.24542909 Si 4.30320377 -0.03548430 4.29732632 0.01023434 -0.76251705 -0.23023933 Si 6.40404282 2.14413547 4.25662124 -0.33477296 -0.86379070 0.47640517 Si 6.39586392 -0.03225600 6.44521302 -0.08948602 -0.74166835 -0.14379142 Si 4.27330627 2.16042657 6.37097786 0.26932356 -1.14930926 0.53735843 Si 8.53860037 0.02214871 4.25592875 0.88497282 -1.14782381 0.62313315 Si 10.68185156 2.17981092 4.28287126 1.04813298 -0.54509689 0.23081374 Si 10.68797599 -0.00037312 6.38436614 -1.45217469 1.52942519 0.07579046 Si 8.53089181 2.14052854 6.41792083 0.66109567 -1.57922555 -0.53961708 Si -0.03336066 4.30255657 4.30280551 -0.96990777 -0.48723604 -1.09637691 Si 2.10609927 6.41399841 4.30747250 -0.67768858 -0.57763727 -1.49964758 Si 2.10839493 4.28804507 6.40120142 -0.57233290 -0.61576238 0.55638791 Si 0.02656826 6.42606500 6.41742956 -2.26707644 0.18071678 0.09338961 Si 4.28544254 4.27774251 4.29259785 0.23915812 0.86597182 -1.39250819 Si 6.41967827 6.47290639 4.24347365 -0.55718340 -0.65751532 1.08479331 Si 6.42660571 4.27310479 6.41125098 0.56040651 1.07947370 -0.60244849 Si 4.23174082 6.38500978 6.42371237 0.94013572 0.24837664 -0.82839916 Si 8.53182751 4.26850490 4.26089242 1.15422807 0.77353403 0.52448985 Si 10.72688860 6.44216927 4.28224246 0.43614082 -0.56272951 -0.22995205 Si 10.69905617 4.25157704 6.41664849 0.74573804 0.58609961 -0.21400507 Si 8.58665184 6.45209401 6.38934260 0.61463363 -0.74593270 0.45265294 Si -0.01599794 8.59033610 4.26367529 -1.13147394 0.89483173 0.19665271 Si 2.17854519 10.68259391 4.25391654 -0.74387198 1.70093203 0.22339139 Si 2.17792951 8.52460818 6.37648665 -0.40150038 2.00335400 1.16188288 Si 0.01023673 10.68281826 6.37628102 1.45157690 -1.66277153 0.14715670 Si 4.24166339 8.53719947 4.25445973 1.71677482 1.39993398 0.25610876 Si 6.44787073 10.72290454 4.20547225 -0.57362745 -0.13453461 0.27719932 Si 6.39624724 8.56380713 6.42359239 -0.56706216 1.31424914 -1.03026506 Si 4.24691298 10.71898092 6.38869270 0.38107799 -0.02073183 0.50120813 Si 8.58280122 8.53298855 4.23517075 0.14351531 0.58647982 0.19731397 Si 10.71921678 10.68937235 4.33971280 -0.96730539 -0.97957294 -0.17901740 Si 10.70231561 8.58647111 6.39530404 1.33117833 0.44435013 0.34644730 Si 8.54693679 10.64363191 6.41207953 0.12070480 1.04592662 -0.35256278 Si 0.02626863 0.02367072 8.56532330 1.49622270 1.43053616 0.64185617 Si 2.11429233 2.13073632 8.50980564 -0.44101567 -0.63738331 0.88592265 Si 2.11379597 -0.02413773 10.69090193 -0.29489271 1.86898346 -1.72176927 Si -0.04026720 2.13405842 10.70257684 1.86891971 -0.29934654 -1.82044894 Si 4.27184254 0.01460423 8.51771637 0.22453981 -0.43514664 1.02864933 Si 6.40133260 2.17138232 8.54668510 -0.97523794 -1.67059294 1.23100543 Si 6.39871689 -0.02395683 10.68270518 -0.08840813 1.84177850 -2.02083055 Si 4.20297834 2.17917532 10.66011882 0.08206228 -1.15133082 0.48037844 Si 8.54175487 0.00904752 8.52499177 0.45669367 -0.58975322 0.73740873 Si 10.70365093 2.13593265 8.53628769 0.92454103 -0.75874511 0.58731733 Si 10.67113255 0.01113558 10.69713940 -1.67847258 1.70913205 -1.77644237 Si 8.54179142 2.16644526 10.65310659 0.70101626 -1.12825061 1.08930282 Si 0.00326679 4.27766462 8.56401667 -0.88227824 -0.39353643 0.99056772 Si 2.11315454 6.41597048 8.55983051 -0.71417139 -0.07412147 0.48458694 Si 2.12569847 4.29172902 10.68562834 -0.78562661 -0.51999939 1.07365794 Si 0.04157481 6.45117056 10.71546608 0.79438173 -0.19242848 -0.81578781 Si 4.27668197 4.29131727 8.53708077 -0.16418702 -0.71804230 1.13268793 Si 6.36909330 6.41006635 8.51132668 1.26390556 -0.24743211 0.50002603 Si 6.45337519 4.27029174 10.68449472 -0.38410170 0.35031093 1.38043298 Si 4.25960143 6.39627246 10.66816873 0.33286196 -0.40156543 1.76276516 Si 8.55530253 4.23389044 8.52775107 1.62171982 1.80854896 0.47361364 Si 10.72024590 6.44092898 8.55004878 0.14726851 -0.50040920 0.79048176 Si 10.70623091 4.27721950 10.68634604 -1.53302175 0.24937010 -1.74461489 Si 8.50677202 6.40898178 10.65214567 0.71888930 -0.43760345 0.70407511 Si 0.00663972 8.54906266 8.49720887 -1.13439506 1.04362221 -0.04431759 Si 2.13384099 10.69068645 8.57344257 -0.05782575 0.51183299 -0.45795906 Si 2.11492650 8.53518691 10.65369342 -0.65717309 0.59976402 1.72281264 Si 0.02686767 10.64943008 10.68318327 1.39758975 -1.31406460 -1.42659782 Si 4.31084600 8.50633434 8.60253047 -0.07349193 2.02409793 -0.12782348 Si 6.43664984 10.68485892 8.55115392 -0.75685061 0.93686694 0.61196098 Si 6.44713379 8.54025786 10.71010157 -0.07472133 0.71332535 1.14214348 Si 4.23616199 10.68180441 10.65414819 0.34153258 -1.06674419 -1.46539569 Si 8.55095185 8.54668316 8.56718287 0.88101701 -0.10436350 0.22791750 Si 10.66872013 10.70345167 8.56830723 -1.51175853 -1.61037758 0.60828286 Si 10.70586188 8.51662785 10.68500616 -1.39120906 0.47525469 -1.70106300 Si 8.52908646 10.68374742 10.66715530 0.58395052 -1.22476256 -1.34641058