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=97.36041349860362 stress="-0.0017719937847777854 -0.0004526592597520093 -0.0008413265617287391 -0.0004526592597520093 -0.002212560244937931 -0.00019010343948225986 -0.0008413265617287391 -0.00019010343948225986 -0.0018196018403351466" pbc="F F F" Si 35.22086729 34.98310996 34.77096654 -4.65289821 -4.11897750 -2.84944213 Si 36.59933616 35.93572417 35.98055861 -11.39451672 -31.43544269 19.02632016 Si 37.14715992 37.22516294 35.23402360 -3.61488469 11.60549089 -34.78096275 Si 37.93229823 38.31172061 36.19084223 26.30448477 17.55016111 15.07807510 Si 37.29465675 35.14771729 38.20399864 -8.47612612 -8.09430566 -7.89537665 Si 38.85840215 36.26405997 38.83490027 -0.09455878 18.06950314 -13.22268216 Si 34.76884260 38.20444678 38.02575960 -1.92304995 -2.70541102 0.59590621 Si 36.55604684 39.07636534 38.99475015 -50.05083222 86.62530999 -63.19199523 Si 40.23975440 35.55577733 35.25284888 -3.23482311 -3.48278050 -6.62380879 Si 41.57116719 36.00454661 36.78983070 -9.07588286 5.24067942 -3.96165166 Si 42.51432400 36.93324962 34.69615509 0.95908787 1.16641000 1.21003543 Si 43.67982227 38.56376137 36.30461569 3.08951032 -3.43944921 -4.63004684 Si 42.56694525 35.29825864 38.33577043 0.81787035 -10.49916815 0.80976069 Si 43.94092265 36.65775521 38.91455633 8.12044675 -0.11029982 0.82000812 Si 40.12809830 37.67682157 37.70524095 -46.59061778 -63.27696124 -52.66714291 Si 40.92663375 38.43667420 38.53414661 59.02280107 57.31137674 52.01889714 Si 34.71438530 40.36150737 35.14218700 -29.90929454 -14.79884249 -29.26109410 Si 35.83966317 40.75635164 36.21696173 26.30745378 17.32829228 28.36912238 Si 36.92616544 42.30861451 35.01570212 5.61410531 1.74050099 -0.62415981 Si 38.61643991 43.32327578 36.40123177 -55.58624709 40.40363764 -44.05180559 Si 37.95366604 39.88968876 37.71888199 -29.94207532 -15.77488743 -21.97552535 Si 39.18297782 40.79320854 38.39174556 14.65610041 22.03986208 13.13641617 Si 34.98481081 42.44102317 37.63905551 -3.18768539 -3.02867588 -2.72243669 Si 35.99862678 43.47076546 39.11824152 0.99080501 3.19271797 2.78849604 Si 40.77137056 40.30010582 34.72444622 -3.77682548 -1.82307477 -6.96124115 Si 41.60365422 41.12475624 36.46651109 -23.19039943 24.97200632 -19.34645477 Si 42.47152985 42.68560390 35.34884679 -3.91300759 -0.01916302 -8.75202746 Si 43.90115472 43.92104870 35.88926905 6.29813960 5.70476171 2.06697821 Si 42.58087455 40.09122498 37.35935114 8.95509733 -31.26884138 21.04338397 Si 43.62110655 41.43106942 38.19906879 9.73834259 7.56986575 10.84008329 Si 39.66448343 42.68403127 37.11226018 59.95844052 -42.28715410 42.03488133 Si 40.97555741 43.31914392 38.89352680 -26.88150185 21.92228317 -17.87175172 Si 35.05683674 35.46916971 39.29623789 -4.71131866 -2.06050484 -8.58984073 Si 36.17607196 36.09305905 40.95070687 -5.07094162 12.28071637 3.62167155 Si 37.00297454 37.99791377 39.62151619 49.11801548 -102.76145394 79.40480720 Si 38.29517079 38.51894432 41.37761528 -0.87382185 -12.41042354 6.86441650 Si 36.58701770 34.91927757 42.62646796 3.50785895 -3.19760618 5.52352209 Si 39.08450338 35.75571598 43.58475277 -30.90384822 -52.65045825 28.54045969 Si 34.99655912 37.96978731 42.51668654 -15.30109305 -14.35025427 -16.95402681 Si 36.22422232 38.75942778 43.54655608 1.32446730 -2.11336544 21.83746143 Si 39.25218309 35.20197720 40.33758909 9.98428768 -9.66786113 8.89326807 Si 41.48837336 36.00831489 41.43404765 -39.03812564 63.20647873 -37.25654187 Si 42.84911873 37.67261282 40.32855624 -69.26077252 -62.62989894 -37.65474112 Si 43.60556472 38.49425818 41.03735392 64.60515429 65.57345643 52.05649759 Si 42.20384740 34.85081933 42.03810700 38.06934784 -56.55317477 33.33200492 Si 43.24802608 36.25091938 43.76534421 -2.07077713 -0.34205743 -0.67620168 Si 39.73333753 37.00409575 43.00005349 19.85015035 46.69588301 -36.29139036 Si 41.03695434 38.28719268 43.94632733 8.28480000 5.94752941 4.72270144 Si 34.94292271 39.80099153 40.20999044 -3.09926969 2.56301533 2.16521955 Si 36.26332309 41.49467021 41.17665376 -4.37107801 -2.33547084 6.34927920 Si 37.82350393 42.21827495 39.80335328 -8.54149159 -10.14416692 -13.99913344 Si 38.63834321 43.28337470 40.87827378 14.63891417 14.91824658 21.21249065 Si 37.36102597 39.94186987 42.87644269 9.98431000 16.19157510 -6.83878704 Si 39.23911782 40.86547492 43.69892213 0.42889938 1.52870494 2.26206927 Si 35.06236183 42.74812411 42.77511221 -1.10272185 -1.67935422 -1.80824910 Si 36.48115325 43.96771709 43.78828861 1.59491024 1.87673629 1.68443849 Si 39.50493887 39.74812168 40.36805486 14.88892988 6.97648245 -5.85788028 Si 40.89974943 41.22892384 41.12165250 44.06276264 -53.10917244 -58.09717732 Si 42.34497277 42.80178516 39.71375535 31.14889896 -15.58854466 15.35416548 Si 43.84367792 43.49431287 41.66372074 -1.97898560 1.38114370 -2.00649740 Si 42.43419395 40.73449740 42.72488829 -16.78242644 -8.77138580 -12.53192285 Si 43.77099171 41.28111300 43.66957874 17.72276586 7.29479760 12.56656181 Si 40.39757659 42.11536967 42.13716159 -43.14093190 56.72922482 64.48765901 Si 40.99934153 43.70821989 43.60820831 1.69567221 0.92173853 -0.76506244