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=48.0704033275215 stress="-0.0015856726341944441 -0.00033740938552649055 -3.285398471830164e-05 -0.00033740938552649055 -0.0017823892741854481 -0.00043416833065847203 -3.285398471830164e-05 -0.00043416833065847203 -0.0014866780108773194" free_energy=48.0704033275215 pbc="F F F" Si 34.99734341 35.18949273 35.23735862 -10.56961519 -20.56171668 -8.99774293 Si 35.75203356 36.63688112 35.83824509 8.74845728 21.24815120 8.74434574 Si 37.19645751 38.24831835 35.31841281 -29.73760018 -1.71386452 -12.25042267 Si 38.69751650 38.67139371 35.88921942 5.11653933 -7.94333527 25.82327870 Si 36.65668272 35.09433965 37.24380690 0.40707174 -2.78128656 0.81954352 Si 37.97534466 36.65565462 38.35244733 2.57455629 -1.01282453 -1.41958155 Si 34.86230136 37.75156541 37.74673192 -7.85350262 -17.22665638 -17.41707776 Si 35.85694090 38.99211558 38.81343399 33.34551403 -21.22658721 -44.32015095 Si 40.12996245 35.44332522 35.29863537 -5.03227080 -3.22056444 -4.74049297 Si 41.53637237 36.30507268 36.55387680 -18.54425778 40.27496408 -16.13385365 Si 42.55165555 37.73480535 35.11944526 -7.05916515 -3.74429791 -11.76885402 Si 43.62647937 38.27038785 36.53966064 12.30264875 10.20974308 11.50592041 Si 42.03761280 35.00711223 37.17175856 21.17979369 -41.13084969 27.50041021 Si 43.35217375 35.95675640 39.55859979 -3.38613015 -1.79433465 -6.46445824 Si 40.06647125 37.55836878 37.78301330 -4.48448375 -12.50419336 -12.01153125 Si 41.19046025 38.78640482 39.00032572 37.91367308 -39.40278143 -16.99828210 Si 35.22251000 40.24364830 35.39090109 -20.62654661 -29.99047781 -14.09895105 Si 36.30800575 41.30517182 35.93842517 18.53189180 8.44413194 17.21894781 Si 37.24120044 42.43450067 34.99880483 11.82332132 13.37203370 -10.70029191 Si 39.14927955 43.29262288 36.09963249 -11.61067719 7.77028684 -9.05985906 Si 37.92329988 39.95895876 37.84838244 -15.16442516 -31.46871710 -14.62918987 Si 38.40983348 41.44754589 38.25237227 12.70720498 32.18754046 9.90698607 Si 35.17969955 42.05695144 37.40284988 -5.26673497 4.72144326 7.40892862 Si 36.26293710 43.98515741 38.43613822 1.22156288 -2.55000103 1.70281205 Si 39.92293429 39.53900512 35.19919299 22.14213875 16.95853800 -13.12119386 Si 41.19635628 41.47405928 36.36196296 20.66381701 -34.64128325 -25.72976054 Si 42.51912768 43.05020301 34.63213332 -2.21349484 -2.43082624 -0.97564503 Si 43.71975550 43.78217117 36.23987635 2.06988493 1.42374722 2.03563475 Si 42.25283595 39.94774168 37.93579195 2.41080952 -0.37784200 -15.33582254 Si 43.76227964 41.25842636 38.13863963 6.76069346 3.20369195 -0.81119324 Si 40.59500816 42.63920620 37.23960379 -11.90686416 26.57857319 31.30926139 Si 41.10623437 43.91330861 39.11494048 1.96153326 -0.98342270 0.26829776 Si 35.78250730 35.42633066 39.53578513 -3.55273178 -6.13410562 -6.47991593 Si 36.12914847 35.95214372 41.48093396 13.54631864 -23.47101751 -10.81449566 Si 37.15301596 37.96366766 39.89857673 9.90506472 -1.64106477 4.68844780 Si 39.04368674 38.97025637 40.76725030 -12.72704432 -12.78981561 16.31149535 Si 37.56538150 35.06459029 42.69533077 2.72821492 -2.03288928 2.64572246 Si 39.38443764 36.16466385 43.74400789 -0.35920068 -0.49056806 -0.59232612 Si 35.47052717 37.26368095 42.17392832 -19.79020196 25.57380254 20.36297353 Si 35.46289683 39.45958563 42.87156230 -0.82962977 -2.06213275 2.28245005 Si 39.74672522 34.67953345 40.06317802 -0.62952640 -0.61980123 -0.83384957 Si 40.80658407 35.63378668 41.76818908 2.28536084 -13.33969333 -0.64588452 Si 43.05020596 38.22993981 40.30821032 -90.53010558 -59.17340385 -103.30328998 Si 43.75722923 38.63074953 41.06932012 89.85105096 57.61713850 102.43962852 Si 43.08360612 35.14567368 41.70581033 -0.93461060 -0.91893141 -0.52079866 Si 43.72169554 36.01501033 43.64162390 0.86288597 0.44640166 1.11604086 Si 40.58584737 37.51429434 41.87209285 -3.61976271 12.30556511 0.97105719 Si 41.47185425 38.76239893 43.41958417 -16.57321927 -29.76343322 14.12024992 Si 35.11824608 39.74564588 39.80882088 -32.86355500 44.32178951 54.44989012 Si 36.20127958 41.50126359 40.85683667 -23.93400293 -25.37206989 1.77455012 Si 37.44242952 42.23512663 40.17100236 25.92287343 22.19892414 -18.18733936 Si 39.06578688 43.51412584 41.46975669 -35.98127529 18.11708325 -27.20283653 Si 37.52412012 39.71764102 41.84008653 -3.29282149 9.68693171 9.44153788 Si 38.71174133 41.70626853 43.47436885 -4.98084845 -7.36535185 -2.12063367 Si 34.89427709 42.38682009 42.28662243 -18.47456239 -10.77416251 -14.04725849 Si 36.00625701 43.16002401 43.28187355 16.20569934 20.29764457 27.62483233 Si 40.19207782 39.77111732 39.63839627 -16.43259990 53.28581795 19.60970821 Si 41.62875023 41.19208948 40.82060998 -12.23081789 -5.61319821 10.91541468 Si 42.89077222 42.10944294 39.86485401 9.81669839 16.30887298 -0.66208507 Si 44.02452066 43.81305054 41.33869395 -0.24171175 -0.95149782 -0.86382014 Si 42.17596048 40.06943278 42.87937435 17.58646275 29.62919321 -14.78471688 Si 43.73216400 41.08851970 43.89786158 2.21628694 1.61738179 1.92043358 Si 40.21643940 42.95798776 42.33981730 39.59327138 -18.72332998 24.07311461 Si 41.95126967 43.56197736 44.05930114 -0.96730370 0.14293780 -0.94830849