108 Lattice="19.100667316191306 0.0 0.0 0.0 19.100667316191306 0.0 0.0 0.0 19.100667316191306" Properties=species:S:1:pos:R:3:forces:R:3 energy=-54.86650121230106 stress="-0.00014310314959991476 -6.377886253482548e-07 -4.1577666558528335e-06 -6.377886253482548e-07 -0.00013213238043016993 7.248211408453921e-07 -4.1577666558528335e-06 7.248211408453921e-07 -0.0001248468724654433" free_energy=-54.86650121230106 pbc="F F F" Na 0.02589837 0.00925380 0.00642362 -0.04175705 -0.04426097 -0.03695531 Na 3.13756713 3.17163719 0.04656267 0.10489037 0.08137377 -0.10124451 Na 3.19925895 0.05292451 3.21374869 0.09017404 -0.11383663 0.06532643 Na 0.03835590 3.12615373 3.23913508 -0.11692955 0.09619049 0.05138027 Na 6.44558185 0.05316372 0.04423541 -0.00566219 -0.05503166 -0.06597109 Na 9.60339291 3.23591912 0.02466262 -0.04078553 0.09668979 -0.07171523 Na 9.57366372 0.00276105 3.15982043 -0.02920425 -0.08434521 0.09955449 Na 6.35457798 3.16317583 3.19097357 0.04318413 0.13817899 0.11010110 Na 12.79396957 0.05982200 0.01131552 -0.07822491 -0.08667956 -0.08626030 Na 15.90597741 3.17041780 0.03566621 0.07627099 0.08120744 -0.08120843 Na 15.92052791 0.03728558 3.13673813 0.07914069 -0.07324106 0.08042539 Na 12.67428371 3.14998888 3.17761209 -0.06981116 0.12491314 0.11851415 Na 0.03282937 6.33039338 0.04324632 -0.06656074 0.00370913 -0.06303032 Na 3.11988769 9.56961594 0.00587757 0.10582826 -0.02480977 -0.07195517 Na 3.17911866 6.34574947 3.20373501 0.13491906 0.02237950 0.09807436 Na 0.02774971 9.45965563 3.16626386 -0.08058246 0.01961476 0.11386186 Na 6.33412022 6.43494691 0.00060515 0.02853135 -0.00792844 -0.03477760 Na 9.56370988 9.56799815 0.00969806 -0.02029982 -0.01108242 -0.03869579 Na 9.59737383 6.41484890 3.23161797 -0.06507914 0.00972823 0.08619111 Na 6.31015940 9.53916797 3.17779740 0.04166631 -0.02622649 0.11635963 Na 12.74249676 6.41101218 0.05736735 -0.08397226 0.00956774 -0.08068964 Na 15.88613845 9.58955802 0.01860602 0.06845027 -0.02767207 -0.05882171 Na 15.86043088 6.32221289 3.18834542 0.07959686 0.01481980 0.09561155 Na 12.76941728 9.56276200 3.20607597 -0.13271851 0.00022540 0.10770380 Na 0.01691818 12.67213309 0.05908197 -0.07678823 -0.03683451 -0.07283056 Na 3.21246430 15.95031561 0.04453704 0.05182203 0.06625873 -0.07363564 Na 3.15673893 12.75959803 3.20898672 0.09910180 -0.12165577 0.09399922 Na 0.02015894 15.92090228 3.16168641 -0.08171176 0.06585041 0.06419803 Na 6.31871643 12.73932293 0.00072780 0.02805108 -0.08699158 -0.06501428 Na 9.58308892 15.90233298 0.06324639 -0.02686871 0.05033527 -0.05668688 Na 9.48943381 12.70810882 3.21548308 0.00855123 -0.11524062 0.11157898 Na 6.36778241 15.89956466 3.23268547 0.02125472 0.07437642 0.06632771 Na 12.77859365 12.76037417 0.04299282 -0.11566016 -0.09212973 -0.11014979 Na 15.97314256 15.85716422 0.04805581 0.05442841 0.05877819 -0.06046659 Na 15.85629317 12.77064664 3.13266166 0.11455234 -0.09514611 0.13098850 Na 12.78879886 15.88209631 3.13469443 -0.10708279 0.09987400 0.12007758 Na 0.00917225 0.01096511 6.31099417 -0.06960285 -0.06754000 0.03107939 Na 3.13502820 3.21938245 6.35064103 0.15369502 0.10829993 0.03054856 Na 3.14671350 0.02418839 9.46061133 0.07707756 -0.07667561 0.01749935 Na 0.05530968 3.23513125 9.52508078 -0.08767819 0.06727259 0.00175836 Na 6.32226685 0.03599430 6.42714512 0.03945396 -0.04847636 -0.01469523 Na 9.60687725 3.13937931 6.32279027 -0.05791666 0.14333400 0.05686119 Na 9.49318376 0.01758278 9.55886103 0.00424400 -0.05245909 -0.02298330 Na 6.33993956 3.12181514 9.57004190 0.04734509 0.16874288 -0.03322000 Na 12.77065526 0.01076985 6.34422954 -0.08514147 -0.08258157 0.03756492 Na 15.91573605 3.14883879 6.43640156 0.05778648 0.09268376 -0.01357799 Na 15.95837144 0.00797089 9.60902472 0.04185165 -0.06349605 -0.01821756 Na 12.71380101 3.19394761 9.54369424 -0.11671108 0.12989820 -0.01945258 Na 0.05757775 6.34244306 6.32069539 -0.06435933 0.03712864 0.03925797 Na 3.19744472 9.55309883 6.32457625 0.11963349 -0.03642892 0.04610079 Na 3.24420043 6.31720272 9.53525034 0.12150596 0.04297948 -0.03963957 Na 0.04634022 9.50826010 9.53523998 -0.05110609 -0.02308662 -0.03782704 Na 6.39285547 6.33286702 6.31841619 0.02568220 0.02019323 0.04657966 Na 9.56640758 9.50154561 6.35495956 -0.05573310 0.01161227 0.03577049 Na 9.49827752 6.42860646 9.58221440 -0.02269924 -0.02123666 -0.02610028 Na 6.32898564 9.48148216 9.57443345 0.03316722 0.01182353 -0.04079404 Na 12.67287578 6.40632321 6.31883009 -0.08956236 -0.00819843 0.06381134 Na 15.89130973 9.54835089 6.34334296 0.05003076 -0.00442061 0.03239246 Na 15.97343190 6.34338861 9.48280038 0.02289666 0.03869627 -0.00896389 Na 12.68001115 9.50273268 9.57499440 -0.08779689 -0.02289593 -0.02301574 Na 0.04505995 12.76881636 6.46858799 -0.08970948 -0.11267652 -0.03523378 Na 3.18009750 15.90519011 6.32492026 0.09656413 0.08115772 0.03725608 Na 3.12815240 12.70953656 9.54268993 0.16955003 -0.12065976 -0.01708298 Na 0.06264997 15.88786018 9.54218676 -0.06069854 0.08719520 -0.00187041 Na 6.32711867 12.69689408 6.32110441 0.04475219 -0.12295527 0.07862086 Na 9.51044489 15.93501899 6.37890936 -0.00606916 0.03416642 0.01630159 Na 9.57834397 12.69732289 9.55301536 -0.07022613 -0.12168910 -0.03774276 Na 6.33920001 15.92134628 9.59474104 0.02479120 0.03297273 -0.05120793 Na 12.73181309 12.72967729 6.43114126 -0.11643170 -0.11529440 -0.01813328 Na 15.93264113 15.97118696 6.38598269 0.05354063 0.04010754 0.00155541 Na 15.86290041 12.77016032 9.60575144 0.08113547 -0.12658641 -0.02617826 Na 12.74273092 15.85730027 9.49728250 -0.10439210 0.09801332 0.01355782 Na 0.05901533 0.00113105 12.79177483 -0.08147848 -0.05971110 -0.08640569 Na 3.17563345 3.19522445 12.73287032 0.09688378 0.09930840 -0.10818378 Na 3.15559698 0.02637519 15.86486381 0.07618312 -0.07048806 0.09312749 Na 0.01883694 3.21215011 15.97577042 -0.07263777 0.07109155 0.05407412 Na 6.33063461 0.04980885 12.77239203 0.02176764 -0.07455970 -0.09083867 Na 9.59031982 3.18168455 12.72901389 -0.04940430 0.14495788 -0.12238706 Na 9.56457008 0.05723895 15.91615233 -0.01651238 -0.06083587 0.06055425 Na 6.39223605 3.21900285 15.95160762 0.01576506 0.06524188 0.06472724 Na 12.70621925 0.01806877 12.74020776 -0.06244484 -0.09015803 -0.08398821 Na 15.96911433 3.19771064 12.67632864 0.07355408 0.08413563 -0.06306506 Na 15.92310857 0.05937518 15.88802938 0.03325278 -0.03297657 0.03738987 Na 12.71671540 3.24422757 15.87361821 -0.05919297 0.06363866 0.09184680 Na 0.06199877 6.45566989 12.68998041 -0.08382932 -0.03080585 -0.06885927 Na 3.14443151 9.50516932 12.74093394 0.15685184 0.01501841 -0.10480888 Na 3.24054630 6.31353633 15.88977066 0.06762042 0.04561294 0.08734352 Na 0.01762996 9.54751250 15.87476717 -0.05309619 -0.00800042 0.06654382 Na 6.30705532 6.37117136 12.77934308 0.06705663 0.01960257 -0.13266662 Na 9.53482865 9.55317403 12.79528988 -0.03219701 -0.04004122 -0.14678043 Na 9.53840698 6.35820998 15.97864303 -0.01921447 0.01884100 0.03168243 Na 6.44487268 9.59415627 15.97506732 -0.02558242 -0.03937690 0.03381086 Na 12.77302444 6.40422187 12.77670128 -0.13246825 0.00190782 -0.13888665 Na 15.88678667 9.46960897 12.79242793 0.06805844 0.01059184 -0.10989429 Na 15.95095579 6.32656654 15.94429206 0.05305240 0.01191205 0.06188604 Na 12.69127344 9.54679318 15.94533987 -0.07378464 -0.01522347 0.07332501 Na 0.01101691 12.75190145 12.68025920 -0.08959158 -0.07778507 -0.04637087 Na 3.22666077 15.88863994 12.74706777 0.04571178 0.09244555 -0.07778883 Na 3.22230275 12.71701317 15.93052264 0.06323390 -0.08368617 0.07822447 Na 0.03588716 15.93888579 15.95796341 -0.02930714 0.02547137 0.02607445 Na 6.35412761 12.75725459 12.68788138 0.01123069 -0.15932255 -0.11829294 Na 9.49334450 15.88310935 12.79665159 0.01511030 0.08087762 -0.11116381 Na 9.48235026 12.69409057 15.89122975 0.00637069 -0.05444224 0.08322938 Na 6.33563777 15.92715912 15.85645686 0.01555306 0.06000414 0.07955704 Na 12.67049162 12.76248302 12.72039359 -0.08583238 -0.11784626 -0.08768307 Na 15.95857238 15.88235944 12.75196944 0.05500463 0.07755505 -0.05441467 Na 15.85547398 12.71594389 15.89227514 0.06973853 -0.06465004 0.06965122 Na 12.72950642 15.91190072 15.96507381 -0.06500971 0.06181613 0.05868579