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=4165162.3350111335 stress="-17.28387095566025 -19.52656899978134 -25.42015062582227 -19.52656899978134 -49.19313183592628 -56.30773746459396 -25.42015062582227 -56.30773746459396 -79.47146384947277" pbc="F F F" Er 35.39834194 35.26213752 34.68495916 -560314.30624121 -1036330.17293672 -1249154.90934411 Er 35.83480695 36.06940076 35.65800372 560481.84119537 1035886.97718328 1247938.87695540 Er 38.12797542 37.88640064 34.83321241 211865.13237426 -604938.10593106 -1691443.30733950 Er 37.97194248 38.33196149 36.07895111 -212103.69810947 604656.55991272 1690123.44854098 Er 37.67224369 34.93834096 37.62756072 -19.81273705 -140.33088619 -39.61414820 Er 39.53922316 36.64782103 38.62048746 -21236.96932436 -139081.68793773 112132.13216911 Er 35.41693835 36.84653735 37.80127884 -14290.14299020 -27502.18608697 -5448.47009595 Er 36.21225890 38.43518358 38.17537168 -14727.10315342 -58616.66988905 54217.21955884 Er 39.80336628 35.27188527 34.93963250 -430.41503812 -341.17517105 -321.43968722 Er 41.50341873 36.51878710 36.17178677 -9799.17898464 -6341.42693534 5049.16684272 Er 43.02829667 37.32367332 35.18162156 -201798.51314792 -7933690.65305768 -11126164.89866725 Er 43.04575944 37.98608819 36.10972341 212115.47199523 7940300.50684557 11121140.25353660 Er 42.85601253 34.61599056 37.55628431 -2094.64075253 -2928.98927121 -1557.90596668 Er 44.03515711 36.15160448 38.44565617 2372.32193939 2722.44511175 1498.38177968 Er 39.68602829 37.85651809 37.60280519 -139019.69092713 90560.59666378 -224017.07285741 Er 40.95143062 38.26406532 38.45701844 158157.08856485 50970.99094838 103015.07691871 Er 35.11594125 39.33267043 34.84724556 -34.52125426 -5.85479475 -35.50985354 Er 36.24630894 41.38152129 37.09922674 112535.66668638 -72440.26274914 41661.69374192 Er 37.36281790 41.90716677 34.68819493 -503.47405640 -906.07229350 -709.63770644 Er 38.50572989 43.65987513 35.70134281 557.73086952 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38.63463621 -315293.47330978 186519.76583713 -482161.38469930 Er 35.67803200 34.92350487 39.93672412 -18875.95145961 -82805.89603947 -89151.20871298 Er 35.92823414 36.02401229 41.12323956 6722.45873887 73597.01527874 90514.51702813 Er 37.56475202 36.94977518 40.71793141 -12292.02890564 -10110.84543138 440.14199512 Er 39.04000555 37.99487402 40.48994230 383.55945644 43115.75002064 -45212.61855140 Er 38.07537406 34.55736097 41.88400267 56.41022478 -286.68487872 149.50639934 Er 39.62765617 35.83593760 44.00440460 -52.49768270 -220.75341022 317.03980741 Er 35.28171867 37.56755382 42.52950932 -77386.91583595 -58934.80439065 -127714.51481106 Er 36.03754878 38.16908485 43.80896797 76506.60518149 60875.89744171 129571.28156205 Er 40.05083880 35.39756875 40.10979287 -2233.87089165 -6862.43174796 2241.87775724 Er 41.61693501 35.79317344 41.40282483 -46111.61964071 51748.42258503 -39779.32672512 Er 42.10124041 37.02807207 39.95242330 2333.51319291 4227.25697898 -8584.08855451 Er 43.15687986 38.54470699 41.09441740 1527.38771168 -1820.76702856 -202.01299045 Er 42.50298484 34.72669642 42.34214158 48301.75546129 -58795.85241693 51248.53152463 Er 43.92388150 36.30908255 43.63065000 297.34236781 314.21199705 265.02342730 Er 39.80419157 37.19832829 41.83831050 23371.46599488 -23774.23349419 42719.96351923 Er 41.22682390 38.15579564 44.08552327 83.00075504 102.18702501 71.86608893 Er 34.62215947 40.30230882 40.21525011 -56741.00468997 -22811.82892831 -32996.04655756 Er 36.01942393 40.86401237 41.02751858 69.55319662 39422.37035343 -38778.96786080 Er 37.51713350 42.21355394 39.65956733 -10179.08031181 3358.27970483 5656.78450323 Er 38.40365244 44.16185382 41.41592701 -9336.04822920 14579.23367771 -10346.68191216 Er 37.20561503 39.94755498 41.77694321 64537.34489913 -49866.33814121 40666.10969468 Er 38.99673796 41.16329879 44.01155590 -182.35898555 -826.20901869 893.17702891 Er 35.70545645 42.11846523 42.22943407 -8646.79615368 28830.72744895 29475.03328400 Er 35.86603248 44.00527386 43.14864106 331.29342938 4116.45837486 2019.01772063 Er 40.93508494 40.22510581 39.34789850 -196.74243499 2141.67103987 2204.32186261 Er 40.94398511 40.91095851 41.93496753 -1735.46367423 197.35615316 34.88126492 Er 42.20403155 42.96923881 39.79062084 313477.78570242 -182929.24853524 483456.11849168 Er 43.77233703 43.48318484 40.89754483 7740.37575486 2543.35033091 5463.53610083 Er 43.13873256 40.46780453 41.97304237 319.30867029 3088.49098155 -3433.51357554 Er 43.74831078 40.63186938 43.94987876 1630.94292500 440.16739687 5282.08527835 Er 39.27988789 42.80980969 42.38616986 9329.22825446 -13419.47838030 9632.74989096 Er 41.71822538 44.09131361 44.16521968 5.88215363 1.29278669 2.55941649