64 Lattice="35.0 0.0 0.0 0.0 35.0 0.0 0.0 0.0 35.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=3212.420088796468 stress="-0.11959458272433511 -0.022628442958793224 -0.0272188795703607 -0.022628442958793224 -0.10612375697962133 -0.017402767546375996 -0.0272188795703607 -0.017402767546375996 -0.10204057439784568" pbc="F F F" C 17.72086729 17.48310996 17.27096654 -764.40414798 -837.77792053 -331.45430561 C 18.02642137 17.81072417 17.38596447 628.97442362 687.47510485 324.35138136 C 18.62409462 18.47516294 17.34117794 135.12665247 133.46806824 -28.71725038 C 19.22134999 19.77265688 18.33853511 -260.99566566 52.34816335 -475.97761412 C 18.85372017 17.35592937 19.20978879 -83.20663942 -154.20018714 -28.99154789 C 19.48340215 17.97259444 19.36685685 125.57099407 104.81601748 31.99379186 C 17.40871710 18.73069883 18.86819962 -90.04509987 11.41654652 -38.34458873 C 18.43104684 19.70136534 20.11589105 -0.17128389 191.29124551 6.26053310 C 20.42055159 17.56153166 17.54153483 -485.35854031 -92.82163379 -359.66353693 C 20.92512441 17.61545746 17.90926861 452.79067192 -5.18156571 315.39372840 C 21.07316245 18.67957765 17.36420263 -110.15124265 -40.61906461 -74.93054988 C 21.80482227 19.18876137 17.57431252 146.87003016 80.88725268 18.22353527 C 21.56964364 17.79825864 19.23568119 -35.44483779 -123.45609283 -5.86328549 C 22.06592265 18.61648200 19.37071310 159.11419962 80.36780331 -134.92890091 C 19.98494301 19.28035042 18.60954479 221.14512386 -267.54029796 -104.92400148 C 20.79487829 19.33946762 19.38174087 7.44155125 -36.72951156 63.11500657 C 17.21438530 20.36150737 17.64218700 -319.87810934 98.72724488 -264.02202419 C 17.71466317 20.13135164 18.09196173 238.89857163 -155.57780027 259.37284620 C 18.17616544 21.05861451 17.51570212 26.60623798 59.73183919 -58.64183604 C 19.24143991 21.12699131 18.27623177 -1278.11558799 -132.26914286 -286.38273366 C 19.20366604 19.49256655 19.05775205 -124.57071243 -167.23494603 353.02043902 C 19.80797782 20.16820854 18.82402012 203.42732929 259.89150122 148.72451203 C 18.19127342 21.58507907 18.88905551 -18.74203917 40.65719692 -10.00411989 C 17.80614464 21.78849090 20.07776387 11.77781715 95.45956546 -197.53432236 C 20.10049303 20.54851891 17.35209736 12.23953028 -15.08191049 -78.73670463 C 20.97865422 20.49975624 18.34151109 -322.36663929 454.39156738 -301.94159981 C 20.81544791 22.18063630 17.96577408 -111.28278424 45.60198139 0.07941536 C 21.74112729 21.92645122 17.89598422 123.87780696 -23.15637245 -13.84135883 C 21.33087455 20.09122498 18.60935114 404.56178210 -436.47936462 205.46080176 C 21.65627631 20.46701764 19.59617919 59.34388035 43.01378230 64.26201608 C 19.66448343 21.19144167 18.36226018 1248.28562019 300.66710256 232.89311318 C 20.35055741 21.43062528 19.62657174 -53.05980581 -10.37778822 -52.58051777 C 17.55615299 17.57367197 19.04841791 -38.39794727 -60.94338195 -18.04435365 C 18.01397766 18.22782927 20.05758771 -15.92379422 -65.05078650 39.26224484 C 18.25297454 19.24791377 19.34195952 -81.31160824 -60.20375209 -113.98391649 C 18.72732978 19.14394432 20.72225891 103.46014581 -161.08486978 117.48263891 C 18.52802779 17.39707798 21.53076306 -35.46049898 -11.53472132 -5.96767136 C 19.70950338 17.63071598 21.95029712 -106.77080195 -145.43217736 115.11540838 C 17.49655912 19.21978731 20.86707807 -118.79365949 -45.34135158 -4.79294874 C 18.09922232 19.54450201 21.67155608 -193.72749708 -127.08528695 -43.92853432 C 19.94590214 17.93324153 20.72739038 -92.80916617 -9.80775659 -113.93376627 C 21.19466860 17.88331489 20.99040288 51.86409603 173.30812754 -99.13017828 C 21.59911873 18.72938511 20.25519775 -527.71121522 -853.16634474 -289.95138850 C 21.82127438 19.11925818 20.41235392 552.84899519 934.53420567 422.96548957 C 20.95384740 17.35081933 20.54530484 -92.78428492 -337.21947351 -235.98086559 C 21.40616307 17.93795912 21.68960464 168.98961146 15.94948617 376.37494367 C 20.24150778 18.25409575 21.63390785 71.86741988 177.41022893 63.19501689 C 20.32698476 19.63076363 21.81073388 144.23068651 -125.85349263 25.38175256 C 17.33286624 20.10415488 19.93422581 -100.15385346 17.52656907 -57.73796385 C 17.83388789 20.90243460 20.66994038 35.00425045 -188.44537857 27.38234898 C 19.07350393 20.96827495 19.80335328 -109.17106101 -357.92691016 -373.45612304 C 19.20779725 21.40837470 20.25327378 80.69358385 401.84651412 402.16158721 C 18.61102597 19.94186987 22.07884089 145.46894329 158.23120124 192.15370615 C 19.70310887 20.16857549 22.08236664 -89.62706081 148.13159737 95.27212984 C 17.54200871 21.73730845 20.94801729 -362.73543009 67.33708044 2.27247211 C 18.09562300 21.89877768 21.41493392 258.45066733 109.69642057 266.98087479 C 19.81899047 19.74812168 20.65240986 -102.40540311 -147.86027156 -23.53749942 C 20.27474943 20.60392384 20.49665250 -376.94002660 -366.17855662 -953.17195300 C 21.09497277 22.03794862 19.66147206 109.15749962 99.06584985 7.19143185 C 22.00388527 22.10577226 21.31006244 124.18506431 26.70644130 -35.45418897 C 20.84981898 20.13593674 20.83633078 359.56156533 -291.56031614 75.98454073 C 21.77288745 20.54549910 21.92239875 22.15250406 -1.09061917 18.85823863 C 20.39757659 20.86536967 20.88716159 172.82700311 772.64611448 888.73429071 C 21.09233303 21.98202197 21.61243696 -104.29781468 11.68722633 56.63191406