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=215.69864922420032 stress="-0.002041053431787725 -0.0005794020231914195 -0.00037189041043707315 -0.0005794020231914195 -0.002653227726126991 -0.001610282636959481 -0.00037189041043707315 -0.001610282636959481 -0.003482089087546245" pbc="F F F" Cn 35.15939235 35.01274993 34.89920579 0.02980051 0.04103611 0.05103766 Cn 36.08013734 36.95482159 36.78525337 11.34161160 -0.58382841 -15.56723794 Cn 37.30526884 38.41051002 35.43300226 -49.82127138 3.68031284 -30.60726581 Cn 38.63910775 38.31575349 36.25183683 49.62544514 -3.68146436 30.89476775 Cn 36.72130192 35.36727682 37.97540241 -0.16662288 -0.74074432 0.43246422 Cn 38.79788541 35.49790929 38.55490605 -8.85115168 3.90719002 -6.03795258 Cn 35.04216332 37.06807702 38.13045302 -11.59800329 1.32238209 15.11705225 Cn 36.12573643 39.52167969 38.82892914 0.44465250 -0.17912778 -0.94305941 Cn 39.36114421 34.93373706 35.08762647 0.01316523 0.05984045 0.06334413 Cn 40.80252594 36.55415694 36.62630510 2.94250778 -2.16659846 -4.44496780 Cn 42.98057087 37.75993259 35.10954174 -88.24138109 -195.34573020 -121.21180990 Cn 43.48459477 38.87679192 35.80296122 91.88679943 193.82724432 117.60337113 Cn 42.81483056 35.12936938 37.47235701 -0.32365918 -0.41621895 -0.29859044 Cn 43.66591591 36.77982700 38.52747587 0.33302573 0.49056809 0.19850150 Cn 39.86210759 37.26083531 38.05834642 -2.58066741 2.76307756 4.40925833 Cn 41.05771466 39.15941542 38.82559902 -0.45919762 0.20426762 0.47479078 Cn 35.05962302 40.42875244 35.27915102 -63.24203676 -29.42823143 -47.70292686 Cn 36.20156779 40.95955188 36.14061886 57.92515370 30.00073174 44.97077686 Cn 38.07220887 43.15125578 35.46831690 -1.35012612 -4.70317959 -13.82039300 Cn 38.22889963 43.69591462 37.10826863 4.15563541 5.95067717 9.54135092 Cn 37.82966024 40.78897731 36.99338793 4.82833374 -0.75435670 1.75880841 Cn 38.80686535 41.11810699 38.76303482 -1.54998246 -1.84736488 0.10633113 Cn 34.75840701 42.86326283 37.21363980 0.10735771 -0.05794829 -0.00289899 Cn 37.09426858 43.29898645 38.53122385 -73.88599567 49.45351773 -111.98320160 Cn 40.11627624 39.23814654 34.90612975 0.26822846 0.13980071 -0.11906913 Cn 41.34481405 40.86369260 36.38299474 -3.78627149 4.82707216 -1.91734304 Cn 42.30046358 42.28125845 35.20068515 0.45040267 0.66221978 -0.52205895 Cn 43.61184474 44.00660504 36.39558901 -0.05000565 -0.03392402 0.04273349 Cn 42.21341013 39.39946127 37.05518902 -0.17269183 -3.97543837 5.70336608 Cn 44.04742470 41.63129186 39.06865787 2.70476888 -1.46157324 -1.65418390 Cn 39.78158711 42.72171254 38.20787362 1.49088126 1.65167830 -0.39258011 Cn 41.69939880 43.88800048 38.23781898 0.22430871 0.07680005 -0.02531309 Cn 34.92914626 34.68812324 40.31441071 0.04004919 0.04427947 -0.03347583 Cn 35.85046577 36.65918150 41.41316044 40.30362350 -69.77400259 -48.08728149 Cn 38.18601305 37.39686087 40.13628653 -0.72167237 -2.04216407 -1.04968924 Cn 38.80840841 39.05747800 40.99064316 0.11736182 0.85919131 1.39333028 Cn 37.85290907 35.29520007 42.53141572 -65.60294483 -518.99559038 -528.38132366 Cn 37.96713564 36.19903617 43.45134048 65.10596995 518.87774607 528.32751106 Cn 35.20194967 37.78583804 42.18914599 -40.20114884 69.75811030 47.94384419 Cn 36.39416546 39.16562509 43.55118378 -22.74067460 -21.22243129 36.68383177 Cn 40.13582635 34.84597381 39.49827403 8.93508311 -4.61977936 6.16186284 Cn 40.67668201 36.73935750 40.45395851 -142.84302229 -66.41899869 90.95996226 Cn 41.80740562 37.26825359 39.73521529 142.75731881 66.62092066 -90.61931622 Cn 43.61258151 39.04318923 41.15085128 -0.11304142 0.01838557 -0.02958235 Cn 42.11684758 35.35935908 42.03854813 -2.33156295 -1.25089650 -2.00210647 Cn 43.45785807 36.13820512 43.18324750 2.24639099 1.34309274 1.91519619 Cn 39.83274034 37.24516246 43.18870657 0.45347903 0.26716040 -0.17409622 Cn 41.17526147 39.30873364 43.61421891 -0.53020644 -0.74585041 0.67162533 Cn 35.36417858 39.88930036 40.73007432 -0.33612959 0.12480964 0.93708294 Cn 36.35980393 42.02564722 41.13292178 55.44909260 -12.90747573 -57.67631361 Cn 37.80798339 42.78666569 39.70387724 69.22928125 -51.76153934 113.97117213 Cn 38.81505646 43.79752453 41.01864146 1.52267196 1.41856226 1.97518502 Cn 37.14927874 39.87047520 42.34116751 22.15854049 20.46609817 -37.51789726 Cn 38.01138108 41.21401355 43.59535311 -28.26634615 -12.24136472 21.33154267 Cn 35.31347668 42.26512816 42.22344302 -55.57645616 12.59434729 57.89161958 Cn 35.52940860 43.67942697 44.06007153 0.02970811 0.03027080 0.04926624 Cn 39.92533611 40.62671175 40.34017367 -47.99403200 -10.58860842 -22.24662500 Cn 41.32039914 40.94293337 40.99432475 10.15208209 27.59172560 -47.97185418 Cn 42.55566489 42.42512171 39.97211528 -3.42937965 0.83770143 0.94447205 Cn 43.84329320 43.75196691 40.84205868 0.80291136 0.79977864 0.53780508 Cn 42.04270425 40.63825272 42.30522996 39.88310642 -15.81265102 70.72347830 Cn 43.80771647 41.92229781 43.86252453 -0.08131006 -0.00655883 -0.05922660 Cn 39.24861919 41.77974886 42.71602274 28.88446693 13.13705813 -20.63425040 Cn 41.41610816 43.46466876 43.68028323 0.00377579 -0.08401487 -0.05285147