108 Lattice="15.56041525956106 0.0 0.0 0.0 15.56041525956106 0.0 0.0 0.0 15.56041525956106" Properties=species:S:1:pos:R:3:forces:R:3 energy=-101.61995868125119 stress="-0.0003857056621938105 1.4587821861218898e-05 -2.2340035095335842e-06 1.4587821861218898e-05 -0.00039266701205342637 3.529626184787648e-05 -2.2340035095335842e-06 3.529626184787648e-05 -0.00032471791003616164" free_energy=-101.61995868125119 pbc="F F F" Na 0.02866309 0.02824385 0.04877221 0.03039183 0.02222749 0.01963488 Na 2.59678167 2.55693175 0.00704115 0.04289593 0.07666436 -0.06249521 Na 2.56227379 0.04334786 2.58329802 0.04589123 -0.09221617 0.04883539 Na 0.02989979 2.56285834 2.55472564 -0.08884382 0.05881448 0.04122724 Na 5.12255579 0.01116173 0.04835761 0.01635366 -0.01485121 -0.01737265 Na 7.80205299 2.56710477 0.00235787 -0.02135824 0.04007115 -0.05486085 Na 7.74079412 0.01110949 2.58291470 0.00983523 -0.08931133 0.03900306 Na 5.22140141 2.57346689 2.60962710 -0.04088241 0.06246718 0.00416629 Na 10.36538035 0.02213542 0.06998021 -0.01718196 -0.00412057 -0.00734404 Na 12.99164338 2.56747306 0.01393514 -0.01238571 0.03527267 0.02564920 Na 12.98201435 0.00292265 2.58014198 -0.01734428 0.00817640 0.05274254 Na 10.35722778 2.55528763 2.63145209 -0.00816820 0.06256225 0.02763052 Na 0.05928347 5.20447587 0.03957030 -0.01954048 -0.02693152 -0.02031193 Na 2.59609059 7.75858094 0.00772917 0.03312902 0.00980881 -0.07384922 Na 2.59560817 5.20866042 2.60213250 0.05081470 -0.02869366 0.01998862 Na 0.04708613 7.79012241 2.54196731 -0.09520961 0.01166185 0.05479064 Na 5.23359182 5.23398667 0.03193047 -0.02326956 -0.03635635 -0.07436832 Na 7.81938915 7.82259070 0.01637550 -0.00057075 -0.03938878 -0.08067463 Na 7.74638689 5.23013500 2.60033849 0.05934968 -0.03364524 0.01886134 Na 5.20818903 7.74865642 2.60852370 -0.02039149 0.04114341 0.03938123 Na 10.41612295 5.11427855 0.03129914 -0.05411988 0.01221280 -0.04330382 Na 12.91551203 7.74218562 0.01928525 0.00765763 0.02484834 -0.01401577 Na 13.00015488 5.23025851 2.59835994 0.04346184 -0.02885588 0.02303096 Na 10.36677830 7.81789847 2.57915877 -0.00999978 -0.03262305 0.04487270 Na 0.08140367 10.41430141 0.01074376 -0.02237567 -0.05749548 0.00227711 Na 2.54791879 12.89471286 0.01150863 0.07495358 0.01317692 0.01757321 Na 2.59257333 10.32390329 2.64377197 0.04568896 0.01047098 -0.00660894 Na 0.03467143 12.94382031 2.64320272 -0.00312963 -0.00267173 0.02024414 Na 5.15439350 10.28516206 0.03958998 0.01362891 0.03408423 -0.04969931 Na 7.75095594 13.00603179 0.01319849 0.00644002 -0.03617867 0.03342588 Na 7.79411430 10.35194534 2.60602616 -0.03542455 0.02174387 0.02704305 Na 5.15131887 12.99814515 2.62532039 0.00891889 0.03448123 -0.01913550 Na 10.33616618 10.35310645 0.04565782 0.01160660 0.03461167 -0.07228879 Na 12.95507930 12.95118116 0.00975549 -0.06332927 -0.05418736 0.05420473 Na 12.99536045 10.39278983 2.58486315 0.05995397 -0.04193908 0.02161658 Na 10.41344657 12.93429851 2.67239429 -0.03973357 0.06555506 -0.02067335 Na 0.02645316 0.02877367 5.20776224 -0.00427841 -0.00590488 0.00456911 Na 2.55454052 2.61015905 5.13504674 0.05479555 0.02910411 0.01713466 Na 2.65033048 0.01881412 7.78244067 -0.00425751 -0.07147201 0.00271383 Na 0.04749735 2.58060468 7.82758165 -0.07777396 0.03353930 -0.06086194 Na 5.14532305 0.01236945 5.20733024 0.00372490 -0.08150857 -0.03146766 Na 7.73071066 2.57992227 5.14956456 0.04073827 0.04666529 0.02981036 Na 7.78067312 0.00223454 7.74545422 -0.01173762 -0.04123054 0.03000499 Na 5.14089330 2.58592275 7.73427164 0.02843299 0.06450245 0.02027888 Na 10.33605139 0.00478398 5.23746123 0.01133999 -0.04701156 -0.02628429 Na 12.99228251 2.61697672 5.14381301 0.03622784 0.01747692 0.00642426 Na 13.01537281 0.04316745 7.73824189 -0.02715495 0.01804651 0.02714227 Na 10.39012062 2.63314870 7.82390310 -0.03421951 -0.01325510 -0.03348074 Na 0.01536266 5.19699712 5.17246518 -0.07979155 -0.01117330 -0.01124552 Na 2.57891659 7.81103854 5.16486715 0.06188506 -0.03158145 0.02190179 Na 2.57282393 5.15694726 7.74957338 0.07444451 0.02520599 -0.00071087 Na 0.04588534 7.78669013 7.73322963 -0.09071062 -0.01061317 0.02626227 Na 5.20024408 5.21344060 5.15670567 -0.02230287 -0.00162492 0.04108393 Na 7.78912432 7.81466881 5.15754502 -0.02460662 0.01688587 0.04039780 Na 7.81317641 5.16183066 7.71802499 -0.05759684 0.01530226 0.03409199 Na 5.14986408 7.82880657 7.79612483 0.03246165 -0.04132124 -0.03311047 Na 10.36741847 5.23562417 5.17589072 -0.04468353 -0.06260664 -0.04722515 Na 12.91757984 7.75603459 5.19995604 0.09451737 0.04224380 -0.01510148 Na 12.92570269 5.21467994 7.73232678 0.07910594 -0.02149515 0.02988523 Na 10.33816500 7.73701128 7.73602713 -0.03249359 0.04784094 0.05410103 Na 0.02744494 10.38172941 5.20444445 -0.07864806 -0.02870711 -0.01350342 Na 2.59450146 12.98985673 5.15769614 0.02844431 0.05786950 0.02529352 Na 2.56408143 10.36495367 7.80557469 0.04417239 0.02716133 -0.02927346 Na 0.00824971 13.00899360 7.68517584 0.00476965 -0.01103335 0.02821141 Na 5.15917086 10.42488446 5.19588586 0.01132399 -0.07289331 0.00334446 Na 7.76599277 12.92836334 5.18564636 0.01583167 0.07049598 -0.00463236 Na 7.77232438 10.41681127 7.81562225 0.01269685 -0.06328607 -0.03504468 Na 5.19681445 12.98879071 7.76881125 -0.03168176 0.06053280 0.01741613 Na 10.42541261 10.37319305 5.19649135 -0.05024921 -0.03412586 0.01907909 Na 12.99573430 12.95680570 5.21118066 0.02052638 0.00493592 -0.00946599 Na 12.99510174 10.40442672 7.80209956 0.05481463 -0.05283102 -0.01924377 Na 10.41421249 12.99407487 7.73769214 -0.03487264 0.05541044 0.01780577 Na 0.01159656 0.06508332 10.29227866 0.00793439 -0.02109649 0.01308836 Na 2.57670227 2.59389086 10.38722606 0.05570019 0.01591142 -0.02527862 Na 2.57930191 0.04719186 13.01298256 0.03333630 -0.01560850 -0.03080157 Na 0.04888158 2.54366589 13.00733801 -0.00756275 0.05184280 -0.01976269 Na 5.21010425 0.05078449 10.38225962 -0.01301693 -0.07938363 -0.02397353 Na 7.74075781 2.60901078 10.39864867 0.00754491 0.03055185 -0.05747728 Na 7.80880135 0.03126005 12.95858358 -0.01330372 -0.00154844 0.02255399 Na 5.14193666 2.57685635 12.95128803 0.02360778 0.03522632 0.08827407 Na 10.32366740 0.00261966 10.41457444 0.02343336 -0.04397651 -0.06895702 Na 12.97576093 2.66246459 10.37863938 0.06187283 -0.01584901 -0.03503184 Na 12.96469269 0.03836410 12.95100192 -0.05286600 0.05396816 -0.05770117 Na 10.39111832 2.60607034 12.91983069 -0.03015629 0.01413576 0.08460715 Na 0.03603812 5.14073095 10.33212517 -0.07245890 0.03328773 0.01795999 Na 2.57962608 7.81133596 10.32475761 0.03064236 -0.04162317 0.02749336 Na 2.59615713 5.17099556 12.95223317 0.01159921 0.02630150 0.05841413 Na 0.00086872 7.79491216 12.97005677 0.01090495 -0.01471969 -0.01709470 Na 5.18375767 5.16465557 10.39552738 0.00511865 0.03384862 -0.05956629 Na 7.73256476 7.82991005 10.36565025 0.02355683 -0.03898946 -0.02499099 Na 7.78462121 5.21921782 13.00963079 -0.02202326 -0.00601943 0.05501482 Na 5.15435245 7.83909753 13.00244212 -0.01011768 -0.02726600 0.04336034 Na 10.33319752 5.15686386 10.41063883 -0.03350788 0.05114834 -0.06458578 Na 12.94408054 7.78555262 10.33436522 0.06073696 -0.01617502 -0.02357478 Na 12.91659501 5.21200880 12.94789829 0.03104138 -0.00582435 0.01564897 Na 10.41083878 7.74522926 12.96184280 -0.06251433 0.03900563 0.05074695 Na 0.00721369 10.37835479 10.38816523 -0.07793016 -0.01644196 -0.04847707 Na 2.54639228 12.95196457 10.37544357 0.03248419 0.06834982 -0.03411316 Na 2.54618131 10.37866766 12.98219226 0.04519737 -0.02276530 0.05939237 Na 0.02616220 12.91735273 12.96994190 0.03266337 -0.03278617 -0.03416579 Na 5.14096751 10.40518274 10.40081609 -0.00011180 -0.01533343 -0.03404693 Na 7.79973789 12.93587503 10.34992374 0.00914484 0.07170509 0.00208801 Na 7.74914279 10.38182715 12.95616325 0.03887126 -0.01818463 0.05640802 Na 5.16833927 12.98923665 12.96649020 -0.00602994 -0.00874585 -0.01087760 Na 10.41587392 10.36905174 10.35118886 -0.05370200 -0.01577168 -0.00373829 Na 12.99610683 12.91768956 10.38528576 -0.02417005 0.00373353 -0.01525422 Na 12.94582506 10.34653767 12.96878907 -0.01438645 -0.01922508 -0.00897888 Na 10.35659855 13.00761327 13.01454759 -0.02244048 -0.04181603 -0.04210035