500 Lattice="31.395527713118668 0.0 0.0 0.0 31.395527713118668 0.0 0.0 0.0 31.395527713118668" Properties=species:S:1:pos:R:3:Z:I:1:forces:R:3 energy=-616.3641146634487 pbc="F F F" Sr -0.02605986 0.03400419 -0.02308186 38 -0.09291839 -0.11233099 -0.10765544 Sr 3.08763345 3.17753655 0.05776187 38 0.14157972 0.09890207 -0.25423747 Sr 3.09908378 -0.04203107 3.15995573 38 0.10932400 -0.20411867 0.14899949 Sr -0.05528123 3.13731021 3.11319095 38 -0.17755749 0.16862882 0.18284099 Sr 6.20228124 -0.01636913 0.01145917 38 0.03359780 -0.11134857 -0.16462469 Sr 9.42569019 3.17412922 -0.00744820 38 -0.03193152 0.07684218 -0.17050695 Sr 9.39527834 -0.03011243 3.07825507 38 0.01789368 -0.16094048 0.19638570 Sr 6.22269593 3.11225672 3.17093106 38 0.07929606 0.21236836 0.12336042 Sr 12.56009357 -0.04454054 -0.00061838 38 -0.05079654 -0.17026272 -0.18775530 Sr 15.61488049 3.08684673 0.06145160 38 0.08776058 0.27018775 -0.29359122 Sr 15.64133399 0.05643379 3.10746673 38 0.05197742 -0.27065738 0.24418561 Sr 12.58513671 3.12093717 3.10431381 38 -0.12947555 0.28268309 0.32010020 Sr 18.75590316 0.00554212 -0.05729262 38 0.04189603 -0.12909284 -0.13375244 Sr 21.95017804 3.19391118 0.02669983 38 0.00604668 0.11081312 -0.23729559 Sr 21.95519350 -0.00222861 3.08174706 38 -0.07488773 -0.19607089 0.18490633 Sr 18.83901653 3.13283269 3.14481035 38 -0.00160841 0.21918862 0.19684146 Sr 25.09117920 0.03595883 0.01767562 38 -0.10799126 -0.18579462 -0.20520331 Sr 28.22601976 3.13576161 -0.03936685 38 0.15008455 0.12862100 -0.12958346 Sr 28.21643172 -0.03135684 3.15258487 38 0.18681449 -0.16248134 0.07651571 Sr 25.05612401 3.13038505 3.16132135 38 -0.14144129 0.21378908 0.10425309 Sr -0.02537743 6.35900232 0.00261133 38 -0.17237886 -0.03576205 -0.17430386 Sr 3.15399650 9.39156968 0.04574315 38 0.17778035 0.06957415 -0.26862844 Sr 3.16556299 6.33232234 3.07833067 38 0.10889023 -0.07717583 0.31843189 Sr -0.02553806 9.41951464 3.10845452 38 -0.21683358 -0.01016441 0.25769272 Sr 6.24692268 6.23134809 -0.02825332 38 0.05767647 0.05511271 -0.16972808 Sr 9.42319278 9.37912626 -0.04686707 38 -0.10010501 0.06481309 -0.13523879 Sr 9.36490173 6.32304132 3.09432382 38 0.05090752 -0.07977734 0.29485169 Sr 6.26790076 9.40011789 3.19423100 38 0.09883788 0.08224225 0.11776105 Sr 12.52334914 6.28544317 0.00878753 38 0.03748699 -0.00108707 -0.15868513 Sr 15.64257676 9.35685632 -0.02548329 38 0.03343899 0.04782891 -0.17248189 Sr 15.75113928 6.27942153 3.10031721 38 -0.08446327 0.04487890 0.29447722 Sr 12.49716169 9.39837827 3.15079613 38 0.06998587 0.01506552 0.26616788 Sr 18.85889543 6.28537365 -0.04746017 38 -0.03851355 0.01590739 -0.15155591 Sr 22.02926906 9.43149510 -0.04355737 38 -0.07890896 -0.03086279 -0.13284733 Sr 21.99703055 6.28846090 3.11591253 38 -0.07330680 0.09125994 0.26591777 Sr 18.78722480 9.41887446 3.10958825 38 0.11078873 -0.03778332 0.24135742 Sr 25.13609308 6.38192641 -0.02697839 38 -0.13226471 -0.08936409 -0.16130665 Sr 28.27169752 9.42889552 -0.03554217 38 0.14546724 0.00573947 -0.10957027 Sr 28.23869682 6.22368482 3.20072234 38 0.21265492 0.07211088 0.02460420 Sr 25.12179448 9.44408796 3.15513820 38 -0.21559868 -0.01885335 0.20157499 Sr -0.03520425 12.54903885 0.03362232 38 -0.12087895 0.04989159 -0.16525325 Sr 3.19536208 15.73160388 -0.02031987 38 0.02398425 -0.03681678 -0.14445128 Sr 3.08541404 12.50234083 3.13180658 38 0.28248690 0.13413062 0.24483834 Sr -0.04365552 15.75661836 3.17451961 38 -0.13415686 -0.04388338 0.07748141 Sr 6.24620656 12.61349105 0.01362619 38 0.05564903 -0.09771733 -0.14900344 Sr 9.46009907 15.67981500 -0.05325624 38 -0.02689280 0.04219849 -0.13501665 Sr 9.38059534 12.60836045 3.12215732 38 0.08877163 -0.08366736 0.25568342 Sr 6.34269646 15.70384227 3.13868103 38 -0.04348493 0.00524507 0.28455355 Sr 12.51652496 12.49575224 -0.00619823 38 0.03702937 0.04781805 -0.14918290 Sr 15.68333325 15.71938465 0.04206020 38 0.02311037 -0.06078682 -0.13378864 Sr 15.64917602 12.47304200 3.10890157 38 0.04955119 0.08384010 0.17445740 Sr 12.57905824 15.66986814 3.16865277 38 -0.04419935 0.01032549 0.15834420 Sr 18.89817596 12.50233687 -0.00705291 38 -0.12604378 0.04863628 -0.15180222 Sr 21.98272483 15.64867205 0.05161578 38 -0.03953937 0.11778768 -0.20218795 Sr 21.96705260 12.54429575 3.09641564 38 -0.03869405 -0.09188977 0.33000168 Sr 18.86734102 15.74007773 3.15268433 38 -0.07264629 -0.07763599 0.18992810 Sr 25.06493512 12.58329211 -0.05404078 38 -0.05019611 -0.05453423 -0.19953871 Sr 28.20595024 15.73615774 0.01861061 38 0.18261136 -0.05242784 -0.15042212 Sr 28.23155584 12.50435089 3.14523469 38 0.21787608 0.08101905 0.11120567 Sr 25.08158874 15.64371558 3.08916302 38 -0.12330215 0.11598112 0.24614878 Sr -0.02559951 18.87276944 0.02813300 38 -0.12472611 -0.05367000 -0.17731340 Sr 3.15979580 21.95687292 -0.01344413 38 0.14632440 0.04345392 -0.16817702 Sr 3.18569773 18.79348746 3.16649011 38 0.14714442 0.01766395 0.21448073 Sr 0.04883057 21.90104214 3.12724122 38 -0.17912052 0.02915641 0.18231712 Sr 6.24010137 18.84609004 0.04124720 38 0.10162131 -0.01058406 -0.15176357 Sr 9.39595064 21.86526859 -0.03986219 38 -0.04428448 0.09001038 -0.09737952 Sr 9.41595915 18.80495731 3.19331100 38 -0.03518700 0.01069309 0.17041281 Sr 6.23383921 22.03140590 3.19984472 38 0.11170456 -0.06930182 0.07760982 Sr 12.51874606 18.82485133 -0.03172119 38 0.05340396 -0.02443743 -0.11380039 Sr 15.66795182 21.99196321 0.04676011 38 0.04931753 -0.02304613 -0.17131005 Sr 15.67702712 18.87412942 3.16956070 38 0.02554959 0.00286297 0.19515326 Sr 12.53007038 21.98167814 3.08129191 38 0.01784377 -0.03095877 0.30620096 Sr 18.86999146 18.81077577 -0.02335909 38 -0.03632833 0.03018608 -0.13750009 Sr 21.93284790 22.03142456 0.03830167 38 0.02454123 -0.11509313 -0.19901828 Sr 21.95582983 18.89258856 3.16544707 38 0.11033852 -0.08112981 0.08931680 Sr 18.89682425 21.99302933 3.12567948 38 -0.14100779 0.01914043 0.22816039 Sr 25.15007735 18.87898888 -0.06246488 38 -0.29068528 -0.02431538 -0.16967330 Sr 28.29211512 21.93057107 0.02597306 38 0.16585956 0.10480209 -0.19601915 Sr 28.21802496 18.89177023 3.09021924 38 0.19156642 -0.11593040 0.27063222 Sr 25.17785713 21.97344719 3.12294216 38 -0.31578645 -0.03807664 0.25619103 Sr -0.01706609 25.13243718 0.02412299 38 -0.16729866 -0.13334826 -0.16475903 Sr 3.19990392 28.20851207 -0.04231257 38 0.04455665 0.20538540 -0.18115349 Sr 3.09457061 25.17832415 3.16389879 38 0.25609576 -0.29130639 0.09165409 Sr 0.04387762 28.23966375 3.19233420 38 -0.23362204 0.23231686 0.03994276 Sr 6.29801494 25.16008171 0.01982716 38 0.02261306 -0.28797734 -0.17012103 Sr 9.35805743 28.21625266 -0.01311183 38 0.03911350 0.22056040 -0.15400846 Sr 9.46728784 25.15432207 3.14133570 38 -0.12619810 -0.28451814 0.16587353 Sr 6.24965947 28.26974820 3.14194331 38 0.07225651 0.21038658 0.19172549 Sr 12.49776312 25.14294603 0.02312119 38 0.04021338 -0.19017634 -0.24753656 Sr 15.72216781 28.23360799 -0.00427893 38 -0.03863522 0.15370883 -0.16888832 Sr 15.68499253 25.16196867 3.16102258 38 0.01475218 -0.26967763 0.22127765 Sr 12.55158712 28.21598723 3.14776728 38 0.01300203 0.28185551 0.11289869 Sr 18.85804923 25.13153683 0.05591038 38 -0.05386841 -0.17130764 -0.21303133 Sr 21.95404577 28.22050363 -0.00435760 38 0.00123540 0.20613293 -0.16389095 Sr 22.03290459 25.14239407 3.14495646 38 -0.12339097 -0.22337950 0.28818393 Sr 18.82290288 28.29516039 3.11522591 38 0.00845587 0.18198189 0.21464119 Sr 25.01841504 25.09339124 0.04270402 38 0.04727063 -0.10889432 -0.25232458 Sr 28.26596789 28.27480497 0.06233241 38 0.07276375 0.05827730 -0.10001629 Sr 28.27412632 25.12306266 3.20097317 38 0.21699783 -0.14671453 0.03630545 Sr 25.11732692 28.30168253 3.16103069 38 -0.12419235 0.25099024 0.09891482 Sr -0.02291904 0.05386047 6.31321200 38 -0.15048390 -0.15159922 0.00048380 Sr 3.17930275 3.15017061 6.33143951 38 0.10684191 0.19715311 -0.07361874 Sr 3.10750824 0.05101138 9.45909898 38 0.19587554 -0.26795390 -0.05149735 Sr 0.05559852 3.13599191 9.44853010 38 -0.27707419 0.16013542 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6.34012567 12.59816505 6.26321156 38 -0.06406388 -0.08651755 0.05088523 Sr 9.48206025 15.70885808 6.36344322 38 -0.04475985 0.00245654 -0.07506297 Sr 9.49489568 12.58802300 9.36613938 38 -0.06081645 -0.05434403 0.13178243 Sr 6.27199513 15.63751810 9.36358471 38 0.08654653 0.05512772 0.11641305 Sr 12.61492017 12.60295759 6.33772661 38 -0.08763916 -0.06049343 -0.07244261 Sr 15.71435871 15.65497699 6.22485472 38 0.02797172 0.08432556 0.08506238 Sr 15.69417943 12.52927017 9.40013166 38 0.06937856 0.08844968 0.08832714 Sr 12.61929825 15.73487152 9.47212234 38 -0.04061371 -0.09450941 -0.07212250 Sr 18.82404794 12.53461036 6.23200485 38 0.08733760 0.04504950 0.08316339 Sr 22.03351865 15.65996950 6.21845299 38 -0.13510419 -0.01186686 0.12739658 Sr 21.98963002 12.52455712 9.46030572 38 -0.00251323 0.08199564 -0.12418905 Sr 18.85448621 15.74751939 9.35597980 38 0.02615044 -0.06532679 0.00766693 Sr 25.16441801 12.58110759 6.25125733 38 -0.28474421 -0.08767814 0.08251889 Sr 28.23515405 15.74485258 6.31563609 38 0.20540663 -0.05770462 -0.12487230 Sr 28.26285551 12.53206588 9.42762509 38 0.15660502 0.02536284 -0.02592813 Sr 25.16875398 15.66603822 9.36304668 38 -0.33519584 0.01829050 0.16241257 Sr -0.04597133 18.80901316 6.30215188 38 -0.08436166 0.07018113 0.08377595 Sr 3.19896223 22.01686270 6.27171179 38 0.07592235 -0.15794933 0.06749659 Sr 3.19095207 18.79205543 9.46747470 38 0.12246178 0.10973776 -0.02704612 Sr 0.04194852 21.97736480 9.47197721 38 -0.15076809 -0.06663505 -0.05272568 Sr 6.21655865 18.86499150 6.33598476 38 0.15211081 -0.05362978 -0.01185647 Sr 9.40178308 22.00842967 6.22345823 38 0.04231660 -0.08607446 0.09171673 Sr 9.46858771 18.80868023 9.36520094 38 -0.06420605 0.09497521 0.04764105 Sr 6.31822472 22.03741422 9.37691923 38 0.04611863 -0.09393358 0.10810383 Sr 12.53501261 18.83673603 6.25428707 38 0.11422507 0.06162275 0.09774369 Sr 15.70886189 22.03954835 6.31901768 38 -0.05269284 -0.12002781 -0.03194174 Sr 15.74433358 18.78170230 9.45219594 38 0.00585982 0.11565739 -0.16891902 Sr 12.58486779 22.02497516 9.44342288 38 -0.03948382 -0.15117548 -0.03883840 Sr 18.89191063 18.90466530 6.20160803 38 -0.12879331 -0.12024420 0.14666912 Sr 21.95307779 21.92136055 6.25961957 38 0.12057202 0.14026877 0.04278832 Sr 22.01722863 18.88223243 9.39778923 38 -0.07412085 -0.09171573 0.07282260 Sr 18.90122984 21.97538861 9.35858976 38 -0.05115012 -0.04053805 0.12350890 Sr 25.06547714 18.77078600 6.31495102 38 -0.13854125 0.10814526 -0.05533914 Sr 28.21614884 21.97771528 6.27754243 38 0.15427636 -0.05694695 0.03601275 Sr 28.31005748 18.79665051 9.36478439 38 0.10765025 0.10094260 0.12130910 Sr 25.16637639 22.01900167 9.44206681 38 -0.26405227 -0.12532505 -0.07471955 Sr 0.05494918 25.05402786 6.24030865 38 -0.25591558 -0.15113666 0.08214857 Sr 3.10779973 28.28883771 6.24237801 38 0.17902080 0.20579948 0.10555020 Sr 3.16543670 25.07996767 9.38492004 38 0.16334753 -0.12281238 0.05797553 Sr -0.06088573 28.25174344 9.35523012 38 -0.09860114 0.11339441 0.01626257 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