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=-166.92635872182132 stress="4.9021929490112486e-05 -4.778605404692348e-05 -3.817703096479051e-05 -4.778605404692348e-05 2.584804738233945e-05 -2.457606270164088e-06 -3.817703096479051e-05 -2.457606270164088e-06 1.668832484330371e-05" free_energy=-166.92635872182132 pbc="F F F" Si 34.75900849 34.98477095 35.18408192 -0.30015004 -0.06821917 -0.22730251 Si 36.59933616 35.93572417 35.98055861 -1.23124937 -2.15072233 1.10489731 Si 37.14715992 37.68702173 35.23402360 -1.90016993 2.03061463 -2.54916005 Si 38.38021302 38.78131475 35.96390753 5.08032133 2.23302771 0.05428405 Si 37.29465675 34.93158033 37.83765651 -4.30093571 -1.17219838 0.93348732 Si 38.85840215 35.76443239 38.32368882 2.22754790 2.00961079 -0.37187804 Si 34.64671032 37.87128473 37.80973961 1.98853667 0.75522777 1.29806244 Si 36.55604684 39.07636534 38.99475015 -1.51312226 -1.23827030 -1.68666534 Si 40.44932342 34.88065517 34.98364268 0.54540678 0.51449758 0.48640161 Si 41.59993901 36.23678549 36.50500385 -2.34917838 0.92164658 -2.68735626 Si 42.56413860 37.42957765 34.86420263 -1.15624120 -1.57650792 -1.30118412 Si 43.67982227 38.56376137 35.86736005 0.41414639 2.40132679 1.98344995 Si 42.42679798 35.29825864 38.20181815 1.86869101 -0.00301006 2.84059522 Si 43.94092265 36.67056849 39.49803907 1.26821960 -1.81940635 -2.41736261 Si 39.94391718 37.67682157 37.44339995 -1.75629157 -2.73789582 -2.26406875 Si 40.92663375 38.45262663 38.77269330 1.92812829 3.41388834 2.99028303 Si 34.75331176 39.95945902 35.10549878 -1.09682477 -2.15651141 -1.02867810 Si 36.14575737 40.88078096 36.24085714 2.50005130 3.05282349 2.24980475 Si 37.23544699 42.16002737 34.69446895 0.75142734 0.42114610 1.56074459 Si 38.61643991 43.32327578 36.40123177 -2.94850078 1.09086703 -2.42496828 Si 37.95366604 40.01182104 37.71888199 -1.86665773 -0.58756346 -2.16939319 Si 39.18297782 40.79320854 38.72490762 1.89346212 2.06656569 -2.78888837 Si 35.30609528 42.83814538 37.63905551 -1.07572485 -2.08000090 -2.85761012 Si 35.90975672 43.87951090 39.11824152 1.78992671 -0.36095903 2.51108964 Si 40.38619242 40.30317212 34.70305829 -0.81897270 -0.44017905 1.49771407 Si 41.60365422 41.12475624 36.46651109 -2.39009508 2.63955403 -1.69577253 Si 41.92743849 42.97130329 35.10350000 1.28065674 -0.63593811 2.24320957 Si 43.97271432 43.46171569 36.62924727 -2.22378338 -2.46019060 -0.06967027 Si 42.19028865 40.09122498 37.16781115 2.91204637 -3.35915139 2.08714693 Si 43.94892175 41.09133389 38.54532507 -2.49886297 2.87959067 -1.53057552 Si 39.66448343 42.68403127 37.11226018 2.18360611 -4.30589774 -0.38448296 Si 40.97555741 43.31914392 38.66128792 -2.07249258 2.61796791 0.55456783 Si 35.05615299 35.04331559 39.53882749 0.71395587 -0.88225925 -3.47750221 Si 36.18959060 36.09305905 40.84266193 -0.37186984 4.72509417 0.83226474 Si 37.00297454 37.99791377 39.62151619 1.44488159 -2.71873992 1.15213041 Si 38.55150311 38.51894432 41.34725891 -0.72613648 -1.39925802 1.39901260 Si 37.07742728 34.96989052 42.36669775 3.41461310 -0.87690193 1.24983600 Si 39.08450338 35.75571598 43.58475277 -3.00385842 -1.99169515 0.66518135 Si 34.99655912 37.96978731 42.51668654 -1.16928164 -1.61320697 -4.03173912 Si 36.50904917 38.86968740 43.54655608 1.12818866 -0.72230796 3.19137142 Si 39.03541174 35.43863234 40.41040162 -0.05759250 0.04366314 3.94205230 Si 41.48837336 36.00831489 41.43404765 -2.28115590 -1.42726160 -2.17130403 Si 42.84911873 37.00584912 40.43810114 -2.73747105 0.46406372 -2.29593623 Si 43.60556472 38.49425818 41.03735392 0.84801580 3.30070084 1.72189850 Si 42.20384740 34.85081933 42.03810700 2.87199975 -0.43968022 2.98015748 Si 43.64763455 35.83675700 44.00814638 -1.51368003 -1.09434543 -1.99879948 Si 40.45333786 37.00409575 42.77385137 -1.73888056 3.12503121 -0.43310283 Si 40.85657366 38.73073442 44.06646954 0.48264215 3.46059936 -0.82471948 Si 34.83286624 39.78943560 39.93496123 -2.22511925 -1.49209720 1.13833318 Si 35.87103602 41.61356488 40.62338780 -1.41022078 1.40092333 1.71826991 Si 37.82350393 42.21827495 39.80335328 -0.90455528 0.09758814 -1.24434296 Si 38.63834321 43.28337470 40.87827378 1.82533417 1.37852266 2.45838996 Si 37.36102597 39.94186987 42.87644269 0.65765387 1.47315911 -2.95233426 Si 39.23985324 40.79357549 43.74612596 2.05604807 -1.42522418 0.12948490 Si 34.62935593 42.80367007 42.32271401 2.63921784 0.38591972 0.24765193 Si 36.64289762 43.79540286 43.37563583 -1.06430701 -1.00020407 -1.85374199 Si 39.50493887 40.15017002 40.36805486 0.77377676 -1.58428527 -0.10221557 Si 40.89974943 41.22892384 41.12165250 3.09759161 2.11377900 -1.34120768 Si 42.34497277 42.80178516 39.71375535 4.49839435 -2.64924703 3.48853386 Si 43.96837464 43.91658749 41.68534593 -1.77054966 -0.80810577 -1.99310388 Si 42.51989586 40.42044581 42.44053329 -0.49748959 -3.67837789 0.74454904 Si 43.85996323 41.06450817 44.08965562 0.16706643 0.51035090 0.28615144 Si 40.39757659 42.11536967 42.13716159 -2.00541244 2.94256839 2.89465347 Si 41.15942128 44.06242240 43.78359587 -0.27472100 -1.51449891 -1.46059408