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=-92.37934437987235 stress="-0.0008497667025773542 -9.565677722651964e-06 -0.0004372454670401485 -9.565677722651964e-06 -0.0011143643184845567 3.79672597643399e-05 -0.0004372454670401485 3.79672597643399e-05 -0.001058769885078618" pbc="F F F" Si 35.22086729 34.98310996 34.77096654 -2.01862171 -0.48776626 -2.20944148 Si 36.59933616 35.93572417 35.98055861 -3.46545713 -20.29980899 12.60257997 Si 36.69924512 37.22516294 35.23402360 -0.39933532 22.75803989 -14.88236621 Si 37.91061888 39.00824945 35.96390753 4.13361009 -2.27177384 -9.27335115 Si 37.29465675 34.93158033 37.44481085 2.73867445 -2.96702804 8.88290073 Si 39.07453911 36.13077452 39.02546443 -3.75648909 1.12115454 -7.09843356 Si 34.95577374 37.79563377 37.93187189 0.59988071 -4.10692267 -0.70210244 Si 36.55604684 39.07636534 38.99475015 -23.36997530 37.67146965 -24.35589899 Si 40.78248547 35.50979054 35.01871475 0.81722706 0.10906060 -2.34892908 Si 41.20935311 36.04524550 37.00114475 -25.50532887 13.86491167 -14.43074107 Si 42.56413860 37.40080582 34.86420263 -3.36545529 -4.82488338 -2.94508069 Si 43.44758338 38.84858822 35.81754545 3.82298105 2.54849562 1.06031761 Si 42.32331561 35.29825864 37.51494595 27.46740948 -21.92966509 11.79674757 Si 43.94092265 36.06325021 38.83036396 8.59730820 -4.79616369 -4.63574382 Si 40.07210940 37.67682157 37.19070156 -5.16159921 2.19386846 0.37363448 Si 40.92663375 38.80271588 39.12622215 4.90805688 -0.90013314 -1.01584085 Si 34.66945659 40.45270357 35.36733977 -11.93331091 -2.38697205 -6.80367873 Si 36.12980493 40.64223427 36.20193068 11.32843910 7.59001967 4.65363580 Si 37.63749534 42.27236655 34.76740513 -1.59549190 -1.46353990 -0.87756373 Si 38.61643991 43.32327578 36.40123177 -28.76380301 20.67955120 -19.18087221 Si 37.95366604 39.88968876 37.71888199 -13.65289546 -6.65087243 -7.95307688 Si 39.18297782 40.79320854 38.39174556 10.62267185 9.38425582 8.67694992 Si 34.84028743 43.15937855 37.63905551 -5.65117764 -2.79961394 -13.95208250 Si 35.58847225 43.26636869 39.11824152 6.48442357 1.12965777 14.08660079 Si 40.47506249 40.11044668 35.08823643 -2.64380496 -4.40514750 -3.19210133 Si 41.60365422 41.12475624 36.46651109 -7.47884484 9.22064218 -7.60348235 Si 42.13394120 42.99269121 35.43802235 -2.25627189 1.97067596 -2.92011826 Si 43.68701492 43.70706248 36.51627956 2.36492433 1.49982170 2.12784353 Si 42.58087455 40.09122498 37.35935114 7.89116827 -9.13896142 10.85849995 Si 43.90613398 41.09133389 39.00465809 0.60101405 -0.35451232 1.60661284 Si 39.66448343 42.68403127 37.11226018 26.93186050 -15.75725249 13.47593243 Si 40.97555741 43.31914392 38.41555535 2.60497036 7.29275314 -1.11086703 Si 35.41842707 35.38305112 39.53882749 -11.84856405 -6.74040037 -41.90924143 Si 35.84333432 35.64664179 40.84334568 10.38740923 12.42565084 36.05106494 Si 37.00297454 37.99791377 39.62151619 17.33829815 -47.36868547 25.29091305 Si 38.97735723 38.51894432 41.34725891 -17.35043746 -38.23741847 20.47461431 Si 36.83483768 34.95637187 42.47474269 4.51042905 -1.87613432 2.51611708 Si 39.08450338 35.75571598 43.32842044 -6.50521679 -6.30133398 1.00221775 Si 34.99655912 38.00014368 42.51668654 -5.19375533 -3.77811716 -7.15015259 Si 36.22422232 38.91950201 43.54655608 -5.76915620 -7.01271454 12.89335755 Si 39.04133018 34.95076375 40.67017184 -1.76610342 -3.31952746 4.38224761 Si 41.48837336 36.00831489 41.43404765 -11.84589251 18.54631939 -12.32277629 Si 42.84911873 37.09847329 39.80845522 -7.56228605 4.24761316 4.07752449 Si 43.60556472 38.49425818 41.03735392 3.55654687 5.53852061 2.93613527 Si 42.20384740 34.85081933 42.03810700 15.88773244 -22.20630592 12.52112187 Si 43.19846121 36.03735751 43.93533384 -2.03404358 0.05629142 -1.79259073 Si 40.51387432 37.00409575 43.01439572 4.03254766 1.92410289 0.64959460 Si 40.54082036 38.73073442 43.98598378 -0.24473235 6.54796654 3.15972275 Si 35.05370384 39.95662146 40.02567089 -8.77931111 -7.56017394 -1.64220608 Si 35.64418629 41.24709340 41.08813660 5.22459682 10.56110843 6.19528549 Si 37.82350393 42.31480047 39.80335328 -13.47738338 -5.71740819 -8.81735152 Si 38.63834321 43.28337470 40.87827378 8.04540928 9.76236548 11.81303222 Si 37.36102597 39.94186987 42.87644269 6.07620119 8.46299241 -10.86731569 Si 38.79631150 40.93527427 43.89510889 4.45775714 1.97305751 5.12853152 Si 34.64091186 43.07869929 42.69904864 -0.58074128 -1.45020028 -1.31672400 Si 36.52400295 43.79466744 43.44753526 1.82813766 0.38429879 -0.37544419 Si 39.50493887 39.66199139 40.80106076 19.21955680 35.33437965 -16.44109068 Si 40.89974943 41.22892384 41.12165250 20.23311919 -15.25868303 -20.41242034 Si 42.34497277 42.80178516 39.71375535 5.29220942 -1.11260179 4.39951653 Si 43.91282868 43.75484312 41.85766015 -4.75999568 -2.77587456 2.03027838 Si 42.93254863 40.60408419 42.31583657 -1.32767736 -3.10138292 -4.37234490 Si 43.40100039 41.34897719 44.00395371 0.36062153 6.10367275 3.59889751 Si 40.39757659 42.11536967 42.13716159 -12.09910715 22.18345297 28.63508100 Si 41.59790219 44.01013910 43.69410650 3.79707386 -3.72819119 -3.04607874