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=157.56560290971169 stress="-0.0008238282357457644 -5.4517587877747154e-05 -5.8208683299150194e-05 -5.4517587877747154e-05 -0.0007676510507657638 -3.888601085733984e-05 -5.8208683299150194e-05 -3.888601085733984e-05 -0.000794286362520489" pbc="F F F" Na 34.75900849 35.18525799 35.18408192 -3.09295211 -1.35092834 -1.26404626 Na 36.59933616 35.93572417 35.78007156 -1.44672307 -1.99380902 -0.64109909 Na 37.60901872 37.22516294 35.23402360 0.59085239 0.58351087 -4.68537513 Na 38.38021302 38.78131475 35.96390753 0.67787715 1.71717443 -4.08313781 Na 37.29465675 34.93158033 37.63550848 -3.04064779 -3.60557322 0.18714940 Na 38.85840215 35.35131701 38.07792206 3.75830056 -1.43731015 1.61185097 Na 34.64671032 37.87128473 37.80973961 -2.90070329 -0.46373732 -1.04153971 Na 36.55604684 39.07636534 38.99475015 -4.18144247 4.60790933 -2.53997570 Na 40.44932342 35.29377055 34.75670798 -0.73308499 -2.27313288 -2.55224856 Na 41.13034487 36.23678549 36.73193855 1.19369806 -1.70568532 0.73605354 Na 42.17129293 37.42957765 34.86420263 0.40008955 0.00251647 -3.24595259 Na 43.67982227 38.56376137 36.08349701 3.56222126 -0.43397605 -0.91268196 Na 43.18598577 35.29825864 37.98568119 0.60888241 -3.44924350 -1.37380914 Na 43.94092265 36.80385394 39.30747491 6.38851980 -2.65277823 -2.31982294 Na 39.55920280 37.67682157 37.44339995 0.43804366 -1.29003608 0.33714299 Na 40.92663375 38.57475891 38.77269330 1.34383459 -0.25536898 0.73633575 Na 34.75331176 39.95945902 35.10549878 -2.35857302 -0.90622213 -1.37661920 Na 36.47891942 41.09680096 36.03128812 -1.83831142 -0.21217081 0.89604919 Na 37.49745377 42.23567833 34.69446895 0.03501905 1.37162688 -4.51991854 Na 38.61643991 43.32327578 36.40123177 -1.87711663 5.78067332 -1.28155623 Na 37.95366604 39.49910286 37.71888199 -1.60597688 0.23241434 -0.89280161 Na 39.18297782 40.79320854 38.20020557 1.44083825 0.14781760 1.73916248 Na 35.30609528 43.33428628 37.63905551 -2.96752156 -0.00329777 -4.49035571 Na 35.88098490 43.66349090 39.11824152 0.48759276 3.26831330 3.20527310 Na 40.38619242 40.30317212 34.70305829 -0.49270550 -0.92838573 -3.87308517 Na 41.60365422 41.12475624 36.46651109 -0.06288356 1.18064648 -2.01702013 Na 41.90476862 42.97130329 35.10350000 0.30815329 2.39094029 -2.96119883 Na 43.97271432 43.46171569 36.65206735 1.86188401 1.48779198 0.04427583 Na 42.58087455 40.09122498 37.35935114 1.69985990 -2.60134530 1.20684179 Na 43.97769358 41.04151929 38.54532507 4.51601261 0.31788248 1.38153275 Na 39.66448343 42.18770324 37.11226018 1.52655966 1.42666584 -0.46707458 Na 40.97555741 43.31914392 38.89352680 -1.02714194 4.78357512 -0.72219738 Na 35.05615299 35.04331559 39.53882749 -3.79212313 -2.03511945 -2.28948283 Na 36.18959060 35.62232381 40.84266193 -0.37859624 1.16912931 0.05870340 Na 37.00297454 37.99791377 39.62151619 1.14620363 -7.08572520 2.61027756 Na 38.31052696 38.51894432 41.34725891 -0.38413620 -3.08994467 2.22295676 Na 36.90937975 34.96989052 42.36669775 -0.07755725 -2.59435273 3.80515847 Na 39.08450338 35.75571598 43.58475277 -1.81803555 -2.13568436 3.69248956 Na 34.99655912 37.96978731 42.95394218 -4.88609859 -3.13754656 -0.50560772 Na 36.22422232 38.91950201 43.54655608 -0.10459781 0.01062357 5.15361024 Na 39.27904137 35.00137669 40.76049087 -0.26897068 -2.18259156 -1.19777431 Na 41.48837336 36.00831489 41.43404765 -1.03075519 1.82254330 -3.62916649 Na 42.84911873 37.61207636 40.00415673 -4.36251068 0.40996534 -0.91136853 Na 43.60556472 38.49425818 41.03735392 4.47357628 3.36423492 4.18979383 Na 42.20384740 34.85081933 42.03810700 3.56536169 -6.77321808 2.08710421 Na 43.64763455 36.33000155 44.00814638 1.43260188 0.09471650 1.49740925 Na 40.36165000 37.00409575 42.75789894 -0.74451188 1.09322056 0.33372614 Na 40.94042883 38.49218772 43.80462855 1.20696020 2.12998517 3.62773180 Na 34.83286624 39.75050914 40.33700957 -4.48433247 -0.40027415 0.30960407 Na 35.88698845 41.65025310 40.86193449 -1.14827808 0.28527493 0.55921245 Na 37.82350393 41.91218075 39.80335328 -0.52096900 -0.24178156 -1.10932402 Na 38.63834321 43.28337470 40.87827378 0.31385795 4.71640964 1.41441006 Na 37.36102597 39.94186987 42.75201337 0.77720109 3.11218625 0.40346670 Na 39.21595783 40.79357549 43.78505241 0.16317126 0.71676302 3.75019121 Na 34.62935593 42.80367007 42.32271401 -3.07962573 0.79730811 1.28705345 Na 36.64289762 43.79540286 43.37563583 1.00404171 1.36446902 1.63742104 Na 39.50493887 39.43884012 40.44099104 2.17510445 0.34750893 -0.31990803 Na 40.89974943 41.22892384 41.12165250 0.98018784 -2.80883811 -3.56768444 Na 42.34497277 42.33597732 39.71375535 3.39690349 0.99709100 0.89777565 Na 43.96837464 43.91658749 42.00657910 1.13424830 0.82243985 -0.15867067 Na 42.51989586 40.42044581 42.11924882 2.42961167 -0.73573255 1.24276140 Na 43.82327501 40.97348016 44.08965562 1.40938846 0.16657406 1.90467118 Na 40.39757659 42.11536967 42.13716159 -1.60312236 4.68967224 4.85947006 Na 41.37272066 44.06242240 43.78359587 -0.13665377 1.37423535 1.32383703