108 Lattice="22.898393569773113 0.0 0.0 0.0 22.898393569773113 0.0 0.0 0.0 22.898393569773113" Properties=species:S:1:pos:R:3:forces:R:3 energy=-46.330938546442525 stress="-5.3682932305191244e-05 7.515822055824016e-07 -8.044718586375472e-07 7.515822055824016e-07 -5.531582971820467e-05 1.5698637698602032e-06 -8.044718586375472e-07 1.5698637698602032e-06 -5.14321556719378e-05" free_energy=-46.330938546442525 pbc="F F F" K 0.02801482 0.07221735 0.04861533 -0.02282035 -0.02676170 -0.02506111 K 3.84707033 3.87887924 0.04840211 0.05260188 0.03695769 -0.05672154 K 3.86739100 0.00060221 3.88121267 0.05864215 -0.05082854 0.04590107 K 0.03364121 3.87017366 3.83445472 -0.05807165 0.05695975 0.06240377 K 7.64478589 0.06069352 0.02346097 -0.00255898 -0.03834661 -0.04332899 K 11.39112658 3.86395169 0.07359748 0.00007252 0.04678345 -0.06138186 K 11.36579403 0.00218838 3.78622992 0.00900002 -0.04728191 0.06431984 K 7.65554738 3.89259064 3.86458715 0.00147632 0.06417102 0.08506882 K 15.32220525 0.04076789 0.05847673 -0.05313462 -0.04545506 -0.05309223 K 19.11169532 3.88276267 0.01880172 0.04522902 0.03576018 -0.05605727 K 19.06023400 0.04906015 3.83469200 0.05502469 -0.05358967 0.03745286 K 15.24022753 3.85139548 3.77752945 -0.07456640 0.06149111 0.07850077 K 0.04357328 7.58438577 0.00102824 -0.03526174 0.02052502 -0.03999359 K 3.82409719 11.51493880 0.06072369 0.05161625 -0.03478129 -0.05415827 K 3.86761436 7.66125292 3.88319442 0.07065592 0.00832081 0.07201638 K 0.03994754 11.36557919 3.84786309 -0.04854537 0.00286337 0.04850641 K 7.58848424 7.59178606 0.00584613 0.01904562 0.03442067 -0.03710811 K 11.44249913 11.49253693 0.00646570 -0.02569039 -0.02860367 -0.04469815 K 11.49853000 7.65601919 3.74680623 -0.04134656 0.02604078 0.10599164 K 7.62650927 11.45193172 3.77199375 0.02617309 -0.01103567 0.10952277 K 15.18929363 7.66355482 0.06222817 -0.03815494 0.01687640 -0.06827149 K 19.15581791 11.49716244 0.06240797 0.03097819 -0.01519824 -0.03943414 K 19.06565265 7.59797528 3.75112827 0.04680903 0.02417633 0.07973807 K 15.23868013 11.47155553 3.80925767 -0.05784273 -0.01675149 0.09609523 K 0.00409172 15.23497998 0.01444388 -0.05526649 -0.04046993 -0.04915382 K 3.85759610 19.05496552 0.03041976 0.03723754 0.05712857 -0.05928603 K 3.79836636 15.33734605 3.76440671 0.08573735 -0.10527995 0.09407226 K 0.02793642 19.03352521 3.82981241 -0.06239698 0.06041681 0.03270919 K 7.59579263 15.21131938 0.02722022 0.03032011 -0.03874829 -0.04969458 K 11.43950185 19.12035554 0.00858103 -0.01505436 0.02829656 -0.03048093 K 11.51605325 15.21433965 3.77668361 -0.04187022 -0.06028433 0.10400317 K 7.59194117 19.06764345 3.88307535 0.03450245 0.03547155 0.04965432 K 15.21781512 15.20414141 0.00458497 -0.03891967 -0.03613675 -0.06593944 K 19.06656347 19.01514610 0.05597486 0.02510804 0.02588921 -0.03014741 K 19.06151059 15.26483651 3.85180675 0.04972538 -0.05588527 0.06026198 K 15.25427504 19.13141191 3.84134209 -0.05232944 0.05051941 0.05539449 K 0.06572890 0.06227693 7.59834290 -0.05694512 -0.05401823 0.00064087 K 3.75320540 3.82124760 7.74749820 0.10541221 0.09079163 -0.02431499 K 3.78250372 0.06106034 11.37802151 0.08414104 -0.05566916 0.01103786 K 0.00769960 3.79841361 11.38026219 -0.05877065 0.08162132 0.01149200 K 7.72778194 0.06796839 7.64314137 -0.00060416 -0.03089080 0.01620999 K 11.50674611 3.85742160 7.61216058 -0.02638154 0.08386490 0.01109040 K 11.42678780 0.06188984 11.49453876 -0.00810949 -0.03435573 -0.02604173 K 7.64427022 3.87105740 11.39862756 0.01137237 0.07593407 -0.00233374 K 15.25458918 0.05650470 7.61675656 -0.06938957 -0.06594398 0.00884951 K 19.00938927 3.76495720 7.60048997 0.05587532 0.08172036 0.01739686 K 19.09176580 0.07432887 11.52473611 0.04488689 -0.04131437 -0.01687065 K 15.23217880 3.75596766 11.39229374 -0.07633067 0.11571169 0.01280381 K 0.07539028 7.75242772 7.66928827 -0.03773847 -0.00387378 0.01876990 K 3.87767714 11.49036417 7.64109264 0.09061581 -0.01463118 0.01707412 K 3.89109040 7.62849879 11.42447672 0.07015182 0.02415706 -0.01225386 K 0.02884449 11.51152705 11.46109700 -0.03888562 -0.02382786 -0.01577554 K 7.64342480 7.59689548 7.56174315 0.02421003 0.03522142 0.02978589 K 11.45511271 11.39212598 7.63745777 -0.02435867 -0.01469378 0.01471573 K 11.38514330 7.58905765 11.45462581 0.01141363 0.03211646 -0.01354961 K 7.68653121 11.42302693 11.47192311 0.01354112 -0.02651088 -0.02264469 K 15.21596920 7.64673801 7.57963259 -0.07023001 0.02377933 0.03310634 K 19.13577125 11.41582450 7.64356292 0.02067210 -0.01260573 0.00050386 K 19.03286779 7.63525115 11.42084599 0.02816375 -0.00132991 -0.01733516 K 15.31795103 11.47260001 11.48804702 -0.11357035 -0.03362903 -0.03139439 K 0.04419601 15.24874749 7.58223515 -0.05011469 -0.06028545 0.02838306 K 3.80777304 19.01841491 7.56129741 0.06095991 0.05062605 0.04217407 K 3.83511321 15.23742734 11.51485979 0.07038210 -0.06146756 -0.02797465 K 0.03966839 19.12789950 11.50198007 -0.03049663 0.02517421 -0.01576619 K 7.62759525 15.21628163 7.76518310 0.02010755 -0.08612184 -0.02616418 K 11.41487647 19.02960667 7.61041593 -0.01553340 0.03308680 0.00915441 K 11.44944749 15.22736428 11.39074032 -0.01691200 -0.08523121 0.01311997 K 7.61860499 19.06366444 11.45842339 0.01487545 0.03609486 -0.01226914 K 15.22893143 15.25480179 7.73860002 -0.06831109 -0.09146744 -0.01850494 K 19.09943817 19.00854853 7.65613971 0.04042955 0.04309760 0.00338989 K 19.10855301 15.25027045 11.43363352 0.05283729 -0.05449465 -0.01403006 K 15.24648922 19.06537881 11.36988714 -0.05513236 0.05595390 0.00249808 K 0.07226886 0.04202478 15.22457999 -0.05413846 -0.04967075 -0.04404158 K 3.81985299 3.88124115 15.33771403 0.08676682 0.05353280 -0.10853758 K 3.75586188 0.02566717 19.06387621 0.05708917 -0.05899230 0.04598494 K 0.03867032 3.81174139 19.07325457 -0.06066906 0.04297372 0.05715804 K 7.70398229 0.01804871 15.20156473 -0.01787977 -0.03984467 -0.04819547 K 11.39444134 3.88555344 15.31915533 0.00165412 0.08587424 -0.08295384 K 11.49390533 0.01771798 19.03053448 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19.03920832 0.04161058 -0.04091853 0.05191811 K 15.23661141 19.07841251 19.10038182 -0.03166091 0.04181406 0.04797320