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=-28.321751285544508 stress="-0.000663167509478158 3.62149218099048e-05 -0.00027326183722362914 3.62149218099048e-05 -0.0007103310586864433 4.628659660056248e-05 -0.00027326183722362914 4.628659660056248e-05 -0.0006079125606043875" pbc="F F F" Si 35.22086729 34.98310996 34.77096654 -2.20516491 -1.72704984 -1.57461058 Si 36.59933616 35.93572417 35.98055861 -6.65940887 -18.88747049 12.65048352 Si 37.14715992 37.22516294 35.23402360 -0.71500881 6.55113401 -20.14046084 Si 37.93229823 38.31172061 36.19084223 10.64392362 12.84522030 8.86595595 Si 37.29465675 35.14771729 38.20399864 -2.11357099 1.10878678 -0.19506722 Si 39.35802973 36.07349581 38.45018589 -2.57841124 -9.34591157 7.98550621 Si 34.76884260 38.20444678 38.02575960 -3.70114257 -1.31415025 -3.95219350 Si 36.55604684 39.07636534 38.99475015 -17.65752824 44.46699984 -26.90774463 Si 40.23975440 35.55577733 35.25284888 -1.39205347 -0.58201583 -2.09371571 Si 41.57116719 36.00454661 36.78983070 -3.35269892 5.34833999 -3.91039817 Si 42.51432400 36.93324962 34.69615509 0.07032737 1.09446911 1.79599729 Si 43.42712388 38.91385061 36.22088890 4.35155984 -7.30657357 -5.91294518 Si 42.73578848 35.29825864 37.98568119 5.58725136 -3.65794890 5.78808669 Si 43.94092265 36.79747090 39.26025248 9.91864190 -9.77053421 -11.91075422 Si 39.61890133 37.43827487 37.40447350 2.60960053 8.01981885 -6.55421771 Si 41.32868209 38.48931485 38.46659910 0.58211652 0.87925172 1.87150880 Si 34.72941635 39.65017747 35.17843495 -2.10918511 -3.63274097 -1.25633943 Si 35.67994952 41.20201413 35.91957267 -2.07527241 -1.12541205 7.00572685 Si 36.83832478 42.32454839 35.07964709 5.97388793 4.97810686 -3.61861881 Si 38.61643991 43.32327578 36.40123177 -29.53348556 17.68250634 -19.75493851 Si 37.95366604 39.88662246 37.71888199 -10.87175750 -3.71495338 -10.30461566 Si 39.18297782 40.79320854 38.39174556 8.89034985 10.48337447 3.24346138 Si 35.32748320 42.83814538 37.63905551 -4.47607211 -3.00492237 -6.94052817 Si 36.24427906 43.37779151 39.11824152 -0.36708562 7.75528462 1.17400388 Si 40.63153922 40.45221119 35.16239131 -6.39849405 -3.23584076 -8.82262122 Si 41.60365422 41.12475624 36.46651109 -4.50755046 17.28403025 -1.01476823 Si 41.65903605 43.33357737 34.74691298 0.74412644 -1.78770329 2.24208911 Si 43.62645804 43.01529842 36.36792425 -2.35569476 -1.77131102 0.02745171 Si 42.58087455 40.09122498 37.35935114 2.97378034 -7.43886651 11.49089510 Si 43.73510397 41.07781524 38.65337001 1.70030429 3.86652419 2.04411248 Si 39.66448343 42.68403127 37.11226018 30.56683679 -19.57270265 18.68673074 Si 40.97555741 43.31914392 38.89352680 -12.89566708 5.28866661 -5.43643624 Si 34.79982066 35.07367197 39.04841791 2.17977235 0.91956934 0.51345236 Si 36.13897766 36.35282927 40.68258771 -2.75084343 -0.56896960 -3.00173451 Si 37.00297454 37.99791377 39.62151619 24.23000595 -49.85039331 28.09772531 Si 38.27194644 38.51894432 41.34725891 2.03807684 -0.42129278 2.14615822 Si 36.62825395 35.17049102 42.29388522 2.14603656 -0.99598071 3.24100009 Si 39.08450338 35.75571598 43.99881808 -3.66652587 -4.48847877 3.64107690 Si 35.23710347 37.57017884 42.51668654 -2.24382324 -3.30656263 -2.60134002 Si 36.22422232 38.91950201 43.54655608 -7.85335235 -5.89470436 9.23336910 Si 39.94590214 35.43324153 40.72739038 -11.33754281 -2.87695365 -6.76439315 Si 41.48837336 36.00831489 41.43404765 -4.58645086 27.52041841 -8.62721519 Si 42.84911873 37.58984275 40.26936712 -27.78734290 -8.39971723 -4.94673085 Si 43.82640232 38.49425818 41.03735392 15.24465268 19.03572553 16.32989668 Si 42.20384740 34.85081933 42.03810700 18.11019023 -23.18162253 14.89987196 Si 43.81482041 35.92746667 43.76534421 -1.35952808 -0.88148912 -1.43301488 Si 39.73333753 37.00409575 42.77385137 1.84120132 6.34288612 -4.92614562 Si 41.16663094 38.82725993 43.36108682 -0.69480186 2.21447125 -0.07679904 Si 34.97456502 39.89949207 39.94651716 -4.33877828 5.98213144 4.05134159 Si 36.16201767 41.98989951 40.74303982 -9.76705996 -6.37841349 6.76790434 Si 37.82350393 42.21827495 39.80335328 4.34255200 -9.19345735 -9.80646612 Si 38.63834321 43.28337470 40.87827378 11.15100467 7.86402600 8.46055967 Si 37.36102597 39.94186987 42.87644269 11.18174848 9.56757625 -6.63543952 Si 39.55457252 40.79284007 43.85695185 -0.28173770 -1.91492764 -1.34797391 Si 35.06236183 42.74812411 42.77511221 -0.16817417 -0.89970730 -1.53861668 Si 36.48115325 43.96771709 43.78828861 0.84620413 0.75755594 0.65416378 Si 39.68857725 39.62342496 39.94578024 3.96832563 -2.19333173 3.84868831 Si 40.89974943 41.22892384 41.12165250 13.88785851 -20.02799974 -27.04951102 Si 42.34497277 42.80178516 39.71375535 12.35848368 -6.36700660 8.61861231 Si 43.94674946 43.83088558 41.99939752 -1.37293675 -2.75080727 -0.21297818 Si 42.80425086 40.90660926 42.38824999 -6.02151214 -8.86100504 -11.42488301 Si 43.73378564 41.43478714 43.66957874 8.05775694 6.73615071 10.29361822 Si 40.39757659 42.11536967 42.13716159 -16.58692663 22.35790571 24.87285513 Si 40.99934153 43.70821989 43.60820831 0.58601295 0.37799785 0.15191202