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=1127.3122203207156 stress="-0.0069247202741079174 -0.00012953926587063724 -0.0028155394039968756 -0.00012953926587063724 -0.007477016142510071 0.0006140217937185691 -0.0028155394039968756 0.0006140217937185691 -0.006361780067319542" free_energy=1127.3122203207156 pbc="F F F" O 35.22086729 34.98310996 34.77096654 -25.56342184 -26.98563420 -32.05507036 O 36.15142137 35.93572417 35.98055861 -20.93089272 -82.33479882 87.91419260 O 36.67756578 37.22516294 35.23402360 40.70826918 102.84816778 -64.82323985 O 38.60714772 38.38846909 36.18004449 -47.24347746 11.06795654 -69.70185284 O 37.66099888 35.43120791 38.14671993 -262.33736832 -111.04300615 -167.00684414 O 38.78275119 35.88656467 38.85899891 247.02155852 118.47038103 136.05204889 O 34.86273032 37.66171571 38.07174639 -8.83173023 -3.21707584 -3.39546274 O 36.55604684 39.07636534 38.99475015 -173.38574213 425.24832515 -247.60871709 O 40.05873752 35.10223056 35.25284888 -4.06910922 -4.69186757 -5.66238899 O 41.57116719 36.00454661 36.78983070 -16.78677055 1.36396454 -20.43000682 O 42.51432400 36.93324962 34.69615509 2.26915116 -0.52986461 -6.90649330 O 43.42712388 38.91385061 36.22088890 33.96551454 -34.96888297 -25.72099622 O 42.73578848 35.79150318 38.24752218 -267.96688629 -127.37568293 -100.47078131 O 43.94092265 36.28827392 38.75986480 298.02705261 111.81069184 117.29915352 O 39.59592731 38.07886991 37.48008817 -3.75047246 -29.81199530 -4.73956912 O 40.62053955 38.32819731 38.74879789 55.97513895 13.14131694 68.35064841 O 34.82624793 39.49365118 35.42673195 -51.78077249 -47.16837201 -46.30418058 O 35.82447290 40.48365875 36.32972720 42.60126190 48.97455388 40.36642643 O 37.04272155 42.62085647 34.71585688 -2.88401616 0.30898501 -6.60168501 O 38.61643991 43.32327578 36.40123177 -221.61975859 141.20519229 -150.86674385 O 37.95366604 40.22421110 37.43318260 -21.72014417 -8.41455499 -21.58811383 O 39.18297782 41.03855533 38.54078463 23.63265823 11.83810972 21.16078691 O 35.23453568 43.29747839 37.16108406 -3.94804066 2.64769694 -2.90390530 O 36.27203080 43.30690388 39.45797705 -9.85773299 17.28091323 -7.45809186 O 40.03993614 39.85675485 34.70374204 0.54966665 1.22471423 -6.49623243 O 42.02950833 41.12475624 36.22392148 -96.53318202 249.80158366 -210.29738698 O 42.12348886 43.07934823 34.84716767 -3.58391848 4.44958626 -11.33346795 O 43.48230473 43.41110275 36.62701071 7.81617408 5.97874024 3.71009739 O 42.42080033 40.09122498 37.07979447 63.12907706 -225.36906843 225.99794121 O 43.52852024 41.29193439 38.47251254 34.35212505 -18.19909104 -5.95966437 O 39.66448343 42.68403127 37.11226018 224.22592879 -128.42951769 144.45917633 O 40.97555741 43.73320924 39.13407115 -22.15292857 27.25959027 -0.83629672 O 34.65654452 35.45747797 39.97069233 -7.45588105 -5.10750104 -1.99743612 O 36.50657936 36.42435429 41.02401715 -4.42081475 9.66018215 -9.85122922 O 37.00297454 37.99791377 39.62151619 178.43980241 -420.54018126 242.42776750 O 38.77234072 38.68613018 41.43796857 -18.00512027 -38.26976336 15.71704361 O 36.83462511 35.19609263 42.46322326 -1.62404767 -21.87988632 18.61773306 O 38.64096164 35.89741475 43.69480924 -21.39321529 -18.09961239 17.65081654 O 35.00811505 38.24481653 42.89302117 -76.53025264 -66.68252812 -40.43925466 O 36.10532765 39.23422129 43.54655608 14.76781559 33.50411701 86.17318300 O 39.53100435 35.07327613 40.32427134 13.19208535 -22.25067463 29.22486160 O 41.48837336 36.00831489 41.43404765 -94.06388273 156.14033908 -83.37195031 O 42.84911873 37.69155341 40.03246593 -58.88669584 -70.63987261 -110.42537101 O 43.44382035 38.49425818 41.20966815 64.52307307 78.32679489 116.04701268 O 42.20384740 34.85081933 42.03810700 97.46005471 -165.06636199 81.74829973 O 43.83127293 35.71206028 43.58587175 5.07681131 0.94564980 4.90688311 O 40.07818382 36.91839384 43.08790297 22.81330171 17.77823293 -4.12916916 O 41.22478383 39.21689787 43.75234525 -14.73638521 -15.55247244 24.65599248 O 34.74337686 39.85362037 40.18467774 -44.20836861 -67.92282072 -12.56658139 O 35.46691157 41.32905582 40.50773197 30.93739737 54.68474511 0.46305510 O 37.64811637 42.01817168 40.27161489 -5.89832039 -38.55635230 -21.86407969 O 38.34608634 43.28337470 41.31175621 17.65861734 40.88541648 28.01624869 O 37.36102597 39.94186987 42.67104226 44.69101087 29.95952029 -34.71226049 O 38.94369432 41.26792070 43.37416104 -3.81953677 1.26324563 17.05407071 O 34.82758830 42.35295238 42.05413934 -11.33785772 13.21431274 19.72005346 O 36.70834461 43.95484767 43.58445220 -0.63316920 2.71013677 3.21107398 O 39.70549175 40.04527080 40.72110304 -18.18726690 -12.43767848 -30.62036253 O 40.89974943 41.22892384 41.12165250 133.66431612 -121.03100930 -181.58777239 O 42.34497277 42.45681557 39.26778844 2.11778359 4.26391656 18.13526391 O 43.64260964 43.84306647 41.60697114 2.52034933 2.63152032 -0.02310885 O 42.26459378 40.20201412 42.51948547 23.17041396 11.55189735 -11.36452999 O 43.87725473 41.77735174 43.86983378 4.08773065 0.70851906 3.11520054 O 40.39757659 42.11536967 42.13716159 -83.59282554 175.41970758 185.91391253 O 41.49947850 43.65939049 43.93558996 0.34586583 4.00740423 4.01135355