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=90.93130457121707 stress="-0.0017161677129970535 0.00013930460069563763 -0.0003130715277066071 0.00013930460069563763 -0.0018384366967370482 0.0002778401804530496 -0.0003130715277066071 0.0002778401804530496 -0.0011967161490577674" free_energy=90.93130457121707 pbc="F F F" Si 35.22086729 34.98310996 34.77096654 -2.82319382 -2.19114113 -2.14874530 Si 36.59933616 35.93572417 35.98055861 -16.52976440 -43.63541098 27.86133288 Si 37.14715992 37.22516294 35.23402360 -2.20554503 14.19447982 -48.90946643 Si 37.93229823 38.31172061 36.19084223 25.41301127 29.67110518 27.23804669 Si 37.29465675 35.14771729 38.20399864 -3.94579672 1.04864287 -0.98703950 Si 39.35802973 36.07349581 38.45018589 -7.63339580 -29.67770461 24.04809416 Si 34.76884260 38.20444678 38.02575960 -1.76072285 0.54395205 -0.52114450 Si 36.55604684 39.07636534 38.99475015 -45.07471486 118.35092080 -71.48657475 Si 40.23975440 35.55577733 35.25284888 -1.68932222 -0.77584299 -7.33345518 Si 41.57116719 36.00454661 36.78983070 -0.26089891 5.38937792 1.60786369 Si 42.51432400 36.93324962 34.69615509 -2.89730498 -1.40752528 1.72106303 Si 43.42712388 38.56376137 36.21744929 1.79989174 -3.46194296 -3.00072504 Si 43.17317250 35.29825864 37.90182602 4.34407632 -4.08266864 1.52332315 Si 43.94092265 36.79747090 39.26025248 147.81440949 -62.90211914 -58.58611180 Si 39.61890133 37.43827487 37.40447350 8.07975384 28.87311581 -21.43713104 Si 40.92663375 38.85467497 38.77269330 -0.01433722 -0.54484907 -3.40593981 Si 34.78999998 39.65336482 34.98106946 -4.29919324 -3.00995175 -4.17225827 Si 36.12186196 40.57149940 36.31379331 3.97303432 10.00002241 7.21393677 Si 36.76963915 42.55691150 34.78333901 -0.59036786 -1.66303605 1.03781342 Si 38.61643991 43.32327578 36.40123177 -71.35253161 43.60868117 -48.17107579 Si 37.95366604 39.88968876 37.71888199 -39.94670507 -24.61077361 -24.75688020 Si 39.18297782 40.79320854 38.39174556 33.02821313 32.79258961 21.80962168 Si 35.11336984 42.83814538 37.63905551 -1.97148005 -9.98566031 -9.61265433 Si 35.90975672 44.04866904 39.11824152 5.01391806 1.60801752 9.35714137 Si 40.38312612 40.32456005 35.03758064 -2.67073621 -2.16292989 -3.20778110 Si 41.60365422 41.12475624 36.46651109 -22.37836951 30.54912186 -21.65945146 Si 41.85130811 43.21665008 35.25253907 -1.54730526 -2.58588826 1.51648063 Si 43.90115472 43.92104870 35.88926905 0.92767356 0.38654923 0.26802829 Si 42.58087455 40.09122498 37.35935114 12.69661375 -35.33613272 19.60061642 Si 43.62110655 41.43106942 38.19906879 6.69785962 13.74156336 10.58619737 Si 39.66448343 42.68403127 37.11226018 74.37236850 -44.56479723 53.19012096 Si 40.97555741 43.31914392 38.89352680 -41.02963879 14.25004404 -26.25843126 Si 35.05683674 35.46916971 39.29623789 -9.75675744 -9.83541491 -17.63901189 Si 36.17607196 36.20110399 40.58632960 13.27059778 9.29407257 21.20317382 Si 37.00297454 37.99791377 39.62151619 51.82201021 -123.50737484 72.47607235 Si 38.55150311 38.51894432 41.34725891 -13.02322497 -13.10716378 17.28494430 Si 37.10778366 34.91927757 42.62646796 2.57469205 3.68874509 -1.60147986 Si 39.08450338 35.75571598 43.42467855 -34.05454770 -59.43935634 30.29985190 Si 34.71700245 37.52061398 42.71728704 1.16917160 -1.49416886 -2.33595779 Si 36.22422232 38.91950201 43.54655608 -29.91818341 -26.42715473 18.51910559 Si 39.45892723 35.41544201 40.65094597 2.91440178 0.84313490 -2.00910201 Si 41.48837336 36.00831489 41.43404765 -42.72707500 59.66360474 -30.02859445 Si 42.84911873 37.25854751 39.68840342 -146.24525510 63.10961838 56.76695858 Si 43.60556472 38.49425818 41.03735392 0.42889010 2.18092234 2.38154267 Si 42.20384740 34.85081933 42.03810700 39.01692141 -59.36568872 33.26251058 Si 43.96462330 36.16805224 43.76534421 -1.53013077 -1.14501896 -1.50100446 Si 39.73333753 37.00409575 42.77385137 31.52306053 60.79119867 -33.12280390 Si 41.16663094 38.82725993 43.36108682 -0.70778012 1.71903390 -0.26382099 Si 34.97456502 39.89949207 39.94651716 -3.66966925 5.12497826 2.67603431 Si 36.16201767 41.98989951 40.74303982 -19.23788188 -2.29453142 6.24389906 Si 37.82350393 42.21827495 39.80335328 -1.54160116 -22.42402125 -34.70988735 Si 38.63834321 43.28337470 40.87827378 22.39513087 21.90744256 25.37048886 Si 37.36102597 39.94186987 42.87644269 34.81807272 24.06345539 -20.52398450 Si 39.55457252 40.79284007 43.85695185 -1.04000093 -1.18141351 -2.15562144 Si 35.06236183 42.74812411 42.77511221 -1.21139285 -2.33090330 -2.95254808 Si 36.48115325 43.96771709 43.78828861 2.15419521 1.90648310 1.62886538 Si 39.50493887 39.74812168 40.36805486 13.80711611 16.38466210 -10.15428112 Si 40.89974943 41.22892384 41.12165250 37.73425255 -65.18693609 -72.87947180 Si 42.34497277 42.80178516 39.71375535 42.08118576 -17.61889231 21.12785343 Si 43.84367792 43.49431287 41.66372074 -1.50105347 -1.77738971 -0.74254007 Si 42.43419395 40.73449740 42.72488829 -29.45442645 -12.67254694 -19.89541113 Si 43.77099171 41.28111300 43.66957874 26.57921901 12.09739388 17.90472785 Si 40.39757659 42.11536967 42.13716159 -39.97878998 65.62586603 73.41819300 Si 40.99934153 43.70821989 43.60820831 -0.23064640 -1.00244527 -0.97351558