108 Lattice="19.10560521479774 0.0 0.0 0.0 19.10560521479774 0.0 0.0 0.0 19.10560521479774" Properties=species:S:1:pos:R:3:forces:R:3 energy=-54.56145072116504 stress="-0.00014302236284605247 -6.474577590473442e-07 -4.142114662085624e-06 -6.474577590473442e-07 -0.00013205070168359576 7.101128666242397e-07 -4.142114662085624e-06 7.101128666242397e-07 -0.00012479783591045173" free_energy=-54.56145072116504 pbc="F F F" Na 0.02590507 0.00925619 0.00642528 -0.04180473 -0.04430316 -0.03700379 Na 3.13837824 3.17245712 0.04657472 0.10464892 0.08116705 -0.10101073 Na 3.20008603 0.05293820 3.21457951 0.08994409 -0.11359282 0.06513900 Na 0.03836583 3.12696189 3.23997247 -0.11667758 0.09596430 0.05120883 Na 6.44724818 0.05317748 0.04424685 -0.00574050 -0.05496509 -0.06588710 Na 9.60587559 3.23675568 0.02466901 -0.04066567 0.09646995 -0.07149333 Na 9.57613870 0.00276176 3.16063730 -0.02910220 -0.08410129 0.09933947 Na 6.35622076 3.16399357 3.19179851 0.04308713 0.13797210 0.10993250 Na 12.79727707 0.05983747 0.01131845 -0.07798790 -0.08657748 -0.08615482 Na 15.91008942 3.17123741 0.03567544 0.07617992 0.08096280 -0.08111352 Na 15.92464368 0.03729523 3.13754903 0.07904392 -0.07315436 0.08018447 Na 12.67756025 3.15080321 3.17843356 -0.06965962 0.12469825 0.11830231 Na 0.03283786 6.33202991 0.04325751 -0.06646967 0.00362151 -0.06294281 Na 3.12069424 9.57208988 0.00587909 0.10560937 -0.02472028 -0.07172486 Na 3.17994052 6.34738997 3.20456324 0.13470795 0.02231141 0.09791833 Na 0.02775688 9.46210112 3.16708240 -0.08034655 0.01964749 0.11362433 Na 6.33575771 6.43661048 0.00060531 0.02843870 -0.00796942 -0.03455059 Na 9.56618229 9.57047167 0.00970057 -0.02021871 -0.01101631 -0.03846424 Na 9.59985495 6.41650727 3.23245342 -0.06496701 0.00969160 0.08609123 Na 6.31179069 9.54163403 3.17861892 0.04158662 -0.02616851 0.11622447 Na 12.74579095 6.41266956 0.05738219 -0.08377315 0.00949130 -0.08045954 Na 15.89024533 9.59203712 0.01861083 0.06835846 -0.02754712 -0.05874209 Na 15.86453111 6.32384730 3.18916967 0.07936729 0.01473945 0.09539792 Na 12.77271843 9.56523417 3.20690480 -0.13252012 0.00025932 0.10753228 Na 0.01692255 12.67540907 0.05909726 -0.07670107 -0.03664705 -0.07275479 Na 3.21329479 15.95443909 0.04454856 0.05161931 0.06617922 -0.07354647 Na 3.15755500 12.76289665 3.20981631 0.09892465 -0.12144663 0.09382324 Na 0.02016416 15.92501814 3.16250377 -0.08160784 0.06577288 0.06398462 Na 6.32034993 12.74261629 0.00072798 0.02795109 -0.08679586 -0.06479387 Na 9.58556635 15.90644404 0.06326275 -0.02674706 0.05027020 -0.05661495 Na 9.49188700 12.71139411 3.21631435 0.00858046 -0.11505819 0.11139865 Na 6.36942861 15.90367501 3.23352120 0.02115985 0.07415421 0.06615182 Na 12.78189718 12.76367299 0.04300394 -0.11540044 -0.09190744 -0.10991045 Na 15.97727194 15.86126359 0.04806824 0.05445633 0.05880271 -0.06048914 Na 15.86039233 12.77394811 3.13347151 0.11431020 -0.09491908 0.13070989 Na 12.79210502 15.88620214 3.13550480 -0.10683810 0.09964709 0.11981886 Na 0.00917462 0.01096794 6.31262568 -0.06950147 -0.06744198 0.03095114 Na 3.13583866 3.22021473 6.35228279 0.15346554 0.10812529 0.03046880 Na 3.14752698 0.02419465 9.46305707 0.07689481 -0.07644512 0.01753461 Na 0.05532399 3.23596760 9.52754319 -0.08743728 0.06709606 0.00180950 Na 6.32390127 0.03600361 6.42880668 0.03934375 -0.04823637 -0.01473166 Na 9.60936083 3.14019090 6.32442483 -0.05782107 0.14316792 0.05676089 Na 9.49563793 0.01758733 9.56133218 0.00429088 -0.05221787 -0.02289791 Na 6.34157856 3.12262218 9.57251595 0.04725299 0.16854224 -0.03315580 Na 12.77395673 0.01077263 6.34586964 -0.08494642 -0.08234242 0.03745196 Na 15.91985058 3.14965282 6.43806551 0.05758417 0.09247731 -0.01362161 Na 15.96249700 0.00797295 9.61150886 0.04179085 -0.06340314 -0.01811175 Na 12.71708777 3.19477331 9.54616147 -0.11652142 0.12969568 -0.01938890 Na 0.05759264 6.34408270 6.32232940 -0.06409357 0.03702191 0.03915121 Na 3.19827133 9.55556849 6.32621127 0.11948911 -0.03636244 0.04601682 Na 3.24503913 6.31883583 9.53771539 0.12135345 0.04290014 -0.03956453 Na 0.04635221 9.51071817 9.53770502 -0.05086302 -0.02300075 -0.03772071 Na 6.39450815 6.33450419 6.32004961 0.02563525 0.02016042 0.04651047 Na 9.56888069 9.50400194 6.35660244 -0.05565084 0.01160276 0.03571379 Na 9.50073300 6.43026839 9.58469159 -0.02266125 -0.02121585 -0.02606245 Na 6.33062180 9.48393329 9.57690864 0.03311434 0.01181492 -0.04073390 Na 12.67615196 6.40797937 6.32046363 -0.08945730 -0.00821066 0.06369958 Na 15.89541794 9.55081933 6.34498283 0.04978532 -0.00436456 0.03229283 Na 15.97756136 6.34502850 9.48525185 0.02268702 0.03858813 -0.00889689 Na 12.68328917 9.50518932 9.57746973 -0.08769654 -0.02283809 -0.02296453 Na 0.04507161 12.77211735 6.47026027 -0.08946554 -0.11244152 -0.03524899 Na 3.18091962 15.90930191 6.32655537 0.09635191 0.08092089 0.03714671 Na 3.12896108 12.71282222 9.54515690 0.16929866 -0.12047019 -0.01702450 Na 0.06266618 15.89196750 9.54465360 -0.06062070 0.08708012 -0.00178456 Na 6.32875435 12.70017647 6.32273853 0.04466516 -0.12280596 0.07849127 Na 9.51290352 15.93913851 6.38055843 -0.00600951 0.03394322 0.01622500 Na 9.58082017 12.70060539 9.55548500 -0.07010910 -0.12154418 -0.03766617 Na 6.34083881 15.92546226 9.59722147 0.02470219 0.03275165 -0.05108520 Na 12.73510451 12.73296816 6.43280385 -0.11624907 -0.11511572 -0.01815063 Na 15.93676003 15.97531583 6.38763359 0.05346376 0.04004781 0.00146944 Na 15.86700127 12.77346167 9.60823473 0.08090551 -0.12633012 -0.02608248 Na 12.74602517 15.86139969 9.49973773 -0.10416490 0.09776607 0.01360302 Na 0.05903060 0.00113135 12.79508177 -0.08138390 -0.05964605 -0.08615682 Na 3.17645442 3.19605048 12.73616202 0.09670855 0.09912874 -0.10798922 Na 3.15641275 0.02638202 15.86896518 0.07594576 -0.07040688 0.09302265 Na 0.01884181 3.21298052 15.97990048 -0.07255052 0.07086002 0.05401189 Na 6.33227120 0.04982174 12.77569395 0.02167875 -0.07433470 -0.09063762 Na 9.59279912 3.18250708 12.73230459 -0.04930668 0.14473786 -0.12218986 Na 9.56704271 0.05725376 15.92026697 -0.01640599 -0.06075346 0.06047203 Na 6.39388858 3.21983504 15.95573143 0.01568423 0.06507353 0.06451064 Na 12.70950405 0.01807345 12.74350135 -0.06225578 -0.08994361 -0.08377381 Na 15.97324267 3.19853732 12.67960571 0.07335946 0.08392379 -0.06287797 Na 15.92722501 0.05939054 15.89213674 0.03331547 -0.03303713 0.03744467 Na 12.72000292 3.24506627 15.87772185 -0.05900763 0.06344710 0.09164079 Na 0.06201481 6.45733882 12.69326101 -0.08359649 -0.03082715 -0.06867839 Na 3.14524440 9.50762658 12.74422772 0.15662019 0.01503360 -0.10464745 Na 3.24138405 6.31516849 15.89387848 0.06744474 0.04549149 0.08710334 Na 0.01763452 9.54998072 15.87887110 -0.05302464 -0.00790806 0.06645414 Na 6.30868580 6.37281844 12.78264680 0.06694364 0.01955306 -0.13250861 Na 9.53729358 9.55564372 12.79859772 -0.03213192 -0.03996375 -0.14660298 Na 9.54087284 6.35985371 15.98277384 -0.01913868 0.01876762 0.03146040 Na 6.44653882 9.59663656 15.97919720 -0.02559785 -0.03927635 0.03358415 Na 12.77632652 6.40587750 12.78000432 -0.13226969 0.00186706 -0.13867362 Na 15.89089371 9.47205703 12.79573504 0.06784646 0.01063929 -0.10966126 Na 15.95507943 6.32820207 15.94841398 0.05297219 0.01181455 0.06179569 Na 12.69455438 9.54926122 15.94946206 -0.07360576 -0.01514550 0.07310081 Na 0.01101976 12.75519807 12.68353729 -0.08937576 -0.07758504 -0.04620938 Na 3.22749493 15.89274746 12.75036314 0.04554890 0.09223346 -0.07758248 Na 3.22313579 12.72030076 15.93464100 0.06305124 -0.08346931 0.07802351 Na 0.03589645 15.94300631 15.96208887 -0.02936713 0.02553782 0.02613954 Na 6.35577027 12.76055259 12.69116144 0.01118053 -0.15908328 -0.11809691 Na 9.49579871 15.88721544 12.79995979 0.01514433 0.08064404 -0.11093329 Na 9.48480162 12.69737224 15.89533795 0.00642319 -0.05428173 0.08300117 Na 6.33727565 15.93127661 15.86055606 0.01544816 0.05992013 0.07945189 Na 12.67376718 12.76578238 12.72368206 -0.08566393 -0.11764150 -0.08750972 Na 15.96269800 15.88646533 12.75526608 0.05494064 0.07746531 -0.05421164 Na 15.85957292 12.71923120 15.89638360 0.06966730 -0.06442514 0.06957806 Na 12.73279725 15.91601425 15.96920110 -0.06479334 0.06174183 0.05861663