108 Lattice="16.466407219926058 0.0 0.0 0.0 16.466407219926058 0.0 0.0 0.0 16.466407219926058" Properties=species:S:1:pos:R:3:forces:R:3 energy=-103.27952241400247 stress="-3.5579032968588186e-05 2.811130855173493e-05 2.259121233233191e-05 2.811130855173493e-05 -0.0001106272869485937 2.7790074752124222e-05 2.259121233233191e-05 2.7790074752124222e-05 -0.00011984220841161516" free_energy=-103.27952241400247 pbc="F F F" Na 0.03352305 0.03130005 0.02344628 0.00396299 0.02642343 0.03602873 Na 2.70587614 2.70281743 0.02218188 0.03324168 0.01159702 -0.04099402 Na 2.76338209 0.00501413 2.68788191 -0.04645928 -0.01604440 0.03168252 Na 0.04436997 2.79719901 2.78106963 -0.02018389 -0.06181907 -0.02998624 Na 5.52536816 0.00225662 0.01497758 -0.00082710 0.01444133 0.01863324 Na 8.23993861 2.70716007 0.03082026 -0.01819848 0.02728544 -0.01997613 Na 8.25658504 0.05252288 2.75534341 -0.03390199 -0.03889901 -0.00702134 Na 5.44427402 2.70276539 2.79090913 0.02827586 0.02970726 -0.06619423 Na 10.94042471 0.01779868 0.02037977 0.02872992 0.01850989 0.01562266 Na 13.74703998 2.74983303 0.00242681 -0.06272065 0.02519941 0.02578092 Na 13.73679908 0.08903982 2.66294237 -0.01793444 -0.01412308 0.01686955 Na 10.97053040 2.69505100 2.79188451 0.04281836 0.05709099 -0.07772706 Na 0.04590076 5.50550484 0.02802306 0.00230469 0.00265851 0.02132005 Na 2.69795470 8.27613175 0.04416708 0.02929254 -0.01367733 -0.01573179 Na 2.77585564 5.43698585 2.69419792 -0.00996903 0.04767510 0.02315512 Na 0.05415265 8.26911906 2.79586737 -0.04189980 -0.02158975 -0.05526302 Na 5.48625670 5.51539942 0.01834018 0.00179756 -0.01510979 -0.01085916 Na 8.25820411 8.26632794 0.02575128 -0.02722030 -0.01428252 -0.01768933 Na 8.24673963 5.45456770 2.73948937 -0.04560682 0.00505256 -0.01139429 Na 5.51973022 8.28537772 2.79244490 -0.02814982 -0.03794478 -0.06279382 Na 10.94136474 5.51803479 0.04814485 0.04037867 -0.04521155 -0.01621881 Na 13.66974647 8.21883671 0.00081326 -0.02044056 0.00039349 0.01479199 Na 13.75380961 5.51745796 2.74961605 -0.01000152 -0.03185376 -0.01756638 Na 10.95688864 8.19526324 2.78929810 0.04217476 0.03024086 -0.02073365 Na 0.00081038 10.99262946 0.02153229 0.03455256 0.01947607 0.03476352 Na 2.77472326 13.73977695 0.01571903 -0.02876409 -0.02994204 0.04040474 Na 2.78506262 10.97689551 2.75677681 -0.02757357 0.04561782 -0.01483261 Na 0.03129994 13.70004523 2.75616965 0.02188192 -0.02147483 -0.01535003 Na 5.45198507 11.00907331 0.01825599 0.04697423 0.00444619 -0.02572764 Na 8.28903918 13.76606576 0.01080939 -0.01701551 -0.04255426 0.00650310 Na 8.26345272 10.96454917 2.74144275 -0.00597460 0.05637523 -0.02077361 Na 5.55982743 13.71825418 2.72829610 -0.00318941 0.01051244 0.00294904 Na 10.95187484 10.95690676 0.00070300 0.05791880 0.03776295 -0.00436234 Na 13.71990053 13.75052231 0.00751330 -0.05553491 -0.06588334 0.05396650 Na 13.72749788 10.93190777 2.74661310 -0.02133258 0.03789705 -0.01964745 Na 10.98261932 13.73697304 2.70387870 0.01903940 -0.01434094 0.02463408 Na 0.00717718 0.03211881 5.48639508 0.03201054 0.02244785 -0.02044033 Na 2.77729689 2.76023116 5.51847326 -0.03004133 -0.01868230 -0.01745667 Na 2.72523250 0.00390346 8.20561986 0.00279130 -0.02090710 0.03054709 Na 0.05041933 2.77438138 8.21541250 -0.02861225 -0.02359302 -0.00191864 Na 5.45128254 0.01019905 5.43890517 0.02146345 -0.04036318 0.02468933 Na 8.19782983 2.79254322 5.48880132 0.00320617 -0.04319042 0.02086330 Na 8.20339166 0.04884149 8.24040792 0.02393834 -0.05421533 -0.05001577 Na 5.51200932 2.67580994 8.26555912 -0.05241561 0.04467019 -0.02607637 Na 10.95724399 0.03716601 5.43646743 0.03846018 -0.02994011 0.04596357 Na 13.70005908 2.72514721 5.44506707 0.02625368 0.00364043 0.03619389 Na 13.71872623 0.03044727 8.27069770 -0.02799424 0.00986180 -0.02835230 Na 10.98025686 2.71435661 8.27781375 0.01883628 0.02132048 -0.05275501 Na 0.00112430 5.49111023 5.44267733 -0.01612530 0.00451248 0.02863873 Na 2.70842397 8.18134493 5.45776024 0.02692407 0.04441859 0.00466959 Na 2.79425453 5.54145713 8.18015817 -0.03259167 -0.02196442 0.04656479 Na 0.01712774 8.26029827 8.24445566 -0.02110050 -0.02171180 -0.02374745 Na 5.47354778 5.53226597 5.51780932 0.01175130 -0.03140443 -0.03054863 Na 8.18218682 8.25091576 5.45164711 0.04276905 -0.02561211 0.04351365 Na 8.14797233 5.47427550 8.25775607 0.03224169 0.02141103 -0.01043095 Na 5.47120821 8.28126811 8.22493493 0.02181528 -0.01047002 0.03276336 Na 10.96088483 5.47314532 5.48852401 0.01503527 0.00890243 0.02655056 Na 13.77422904 8.20084035 5.50239608 -0.01607301 0.01596727 -0.01104963 Na 13.69809206 5.51874918 8.19416037 0.01721014 -0.01883292 0.02772991 Na 10.93903867 8.26648000 8.24469046 0.03401361 -0.02105119 -0.01002599 Na 0.01850228 10.96592304 5.46317818 -0.00683029 0.03963438 0.02972810 Na 2.79487435 13.71767439 5.44957339 -0.03602069 0.01047982 0.00783642 Na 2.77629707 10.95763223 8.23724612 -0.04493040 0.03068251 -0.02715329 Na 0.04286724 13.71246953 8.24063803 0.03466476 -0.03193927 -0.02428029 Na 5.53280149 10.98148408 5.52771855 -0.03279918 0.02074216 -0.02557354 Na 8.25170522 13.67982719 5.53867347 -0.00133956 0.04230289 -0.02719338 Na 8.23842857 11.00773088 8.23885723 -0.02321022 -0.01477354 0.02323669 Na 5.44327755 13.74803943 8.21452421 0.00774501 0.01812167 0.03367889 Na 10.95075964 10.96548752 5.53200152 0.06272855 0.03461431 -0.03715726 Na 13.73041223 13.72673429 5.44346789 -0.05476549 -0.04221343 0.02154589 Na 13.74661920 10.92318724 8.20102103 -0.02278488 0.06105676 0.02657153 Na 10.93473714 13.75333032 8.28010394 0.09677200 -0.00830856 -0.04084677 Na 0.01728712 0.00309444 10.97621618 0.02185928 0.02072351 -0.01246745 Na 2.70525541 2.77578778 10.98990725 0.04551650 -0.03754808 -0.01132230 Na 2.76657548 0.05993558 13.69415920 0.00978344 0.00142752 -0.01703153 Na 0.03734728 2.70477481 13.66197666 0.00284286 0.03023380 0.00235919 Na 5.52089826 0.03273978 10.96581564 -0.03141817 -0.02471705 0.04973236 Na 8.24487278 2.70080043 10.93894461 -0.01717393 0.04683828 0.09347174 Na 8.21485397 0.01631042 13.76970722 0.01386509 0.03080318 -0.03247428 Na 5.51594468 2.77471150 13.76758609 -0.00152502 -0.00817089 -0.02251611 Na 10.94896870 0.03743655 10.98444013 0.03378827 -0.02438469 0.05688581 Na 13.75898470 2.73612189 10.98440140 -0.02480698 0.02975056 0.04236608 Na 13.68802973 0.05262229 13.76744735 -0.05007389 0.04184327 -0.04669850 Na 10.96471648 2.81276496 13.75070391 0.02109049 -0.03364036 -0.02554987 Na 0.03874210 5.46430128 10.93829486 -0.01525059 0.02788988 0.03103922 Na 2.71045305 8.26580964 11.02224276 0.01325801 -0.02585871 -0.02684200 Na 2.76601585 5.53122297 13.71393943 -0.03107685 -0.02384060 0.03203573 Na 0.00576255 8.20062585 13.72389730 0.00336577 0.00693007 -0.02110567 Na 5.43591329 5.51319108 10.98197845 0.03628294 -0.01729452 0.01626241 Na 8.27942568 8.24098543 11.03100401 -0.06624429 0.02585385 -0.03910572 Na 8.26148622 5.53718907 13.70713433 -0.02487600 -0.02247178 0.01014388 Na 5.50688195 8.26438555 13.70420137 0.00222222 0.00306622 0.02518869 Na 10.93168342 5.53507696 10.93058848 0.09052613 -0.04386970 0.04875931 Na 13.76631289 8.25075624 11.00801573 -0.01803712 -0.01434129 -0.03223082 Na 13.73534185 5.52791888 13.76292989 -0.04009182 -0.01133865 -0.05341697 Na 11.01103747 8.24932389 13.68931798 0.01653223 -0.00934198 0.03562119 Na 0.05218536 10.95631936 10.96970015 -0.04835756 0.03276423 0.03361765 Na 2.69099649 13.67378054 11.02509359 0.02516152 0.03722150 -0.00628092 Na 2.75144905 10.94682685 13.67830119 -0.01881130 0.02476756 0.05664456 Na 0.03965449 13.69940449 13.75207447 0.02195006 -0.04443619 -0.03018661 Na 5.45831366 11.01836511 10.96896536 0.04283901 -0.00593223 0.01602926 Na 8.28238838 13.69472963 10.94081395 -0.04709412 0.03909804 0.04132987 Na 8.26399276 10.98293851 13.72383570 -0.01897777 0.01662245 0.02347200 Na 5.52537965 13.69430018 13.71316700 -0.00694697 -0.02004370 -0.02435256 Na 10.93706538 11.02252024 11.02549977 0.08060364 -0.02431576 -0.03133298 Na 13.69537462 13.66892825 10.99108887 -0.02211804 -0.02020907 -0.00810985 Na 13.75966592 10.93587178 13.65382540 -0.03259908 0.03275785 0.00837837 Na 10.98050851 13.73704941 13.73874044 0.02055046 -0.03606301 -0.02483906