256 Lattice="20.850173431491875 0.0 0.0 0.0 20.850173431491875 0.0 0.0 0.0 20.850173431491875" Properties=species:S:1:pos:R:3:forces:R:3 energy=-251.0694825487374 stress="-0.0002881219244626036 1.4095942545123039e-05 -1.3477885845788757e-05 1.4095942545123039e-05 -0.0002776616972824572 2.3014573233206362e-05 -1.3477885845788757e-05 2.3014573233206362e-05 -0.000292572264839446" free_energy=-251.0694825487374 pbc="F F F" Na 0.03029801 0.03432144 0.03634883 0.04067407 0.03812575 0.04083456 Na 2.60184774 2.56876523 0.02850242 0.03485289 0.06659762 -0.06833687 Na 2.60745307 0.04304492 2.59008493 0.02320277 -0.07142886 0.05235621 Na 0.02472420 2.62951488 2.56725645 -0.05517194 0.03502838 0.05053913 Na 5.17677071 0.05000139 0.01624971 0.00823135 -0.01083370 -0.01530893 Na 7.84974877 2.60873723 0.04457389 -0.01689359 0.04118590 -0.08396519 Na 7.76675780 0.02631857 2.57921625 0.02997436 -0.07506409 0.03250001 Na 5.21857678 2.58917241 2.59449936 -0.03829716 0.05643269 0.03749808 Na 10.45449310 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0.07900850 18.21724309 0.01711049 -0.01506129 0.00634632 Na 10.39057317 2.62633446 18.23963868 0.00797346 0.02671278 0.06745772 Na 15.62640555 0.02009749 15.58839346 0.00586629 -0.02914992 0.01622989 Na 18.23561798 2.65191426 15.59047786 0.02394690 -0.00184152 0.00912456 Na 18.20752480 0.03426867 18.27870838 -0.07174064 0.07560118 -0.07891743 Na 15.58776731 2.62967184 18.23233726 0.03134179 0.00786161 0.03938317 Na 0.03314742 5.21530958 15.65499961 -0.03836039 0.02304773 -0.02256572 Na 2.62347745 7.83409296 15.62294754 0.00836667 -0.02470982 -0.01418788 Na 2.64456260 5.20399061 18.28400121 -0.00081200 0.01466248 0.04642875 Na 0.04085526 7.82810162 18.28037648 0.01745730 -0.00125843 -0.02923896 Na 5.19711973 5.25668451 15.68860648 0.01578246 -0.01391512 -0.06655174 Na 7.85133239 7.78972759 15.61903097 -0.02742638 0.01043905 -0.01643683 Na 7.85656557 5.24791980 18.25206029 -0.04472651 -0.01813008 0.06125500 Na 5.20669565 7.85243682 18.23914664 0.00457532 -0.02003309 0.05554127 Na 10.46869303 5.19833764 15.68358387 -0.02410734 0.00972460 -0.05075164 Na 13.05239295 7.81542527 15.68278001 -0.02722856 0.02180003 -0.02201331 Na 13.05963783 5.20830408 18.26879965 -0.01098137 0.01176874 0.05936811 Na 10.38374382 7.80180556 18.25131955 0.03765148 0.03387305 0.04275342 Na 15.68416699 5.23777594 15.65322968 -0.05476258 -0.03652334 -0.04054824 Na 18.20938492 7.78455398 15.59837652 0.06001973 0.02914994 -0.01335168 Na 18.22984001 5.26127030 18.27514647 -0.00497795 -0.02906986 -0.01127179 Na 15.66371476 7.80934480 18.28825986 -0.02660589 0.03682282 0.03513102 Na 0.04655107 10.49657318 15.65861751 -0.05077536 -0.01793505 -0.03731543 Na 2.64819002 13.08307312 15.67477407 0.02229176 -0.03353862 -0.03791958 Na 2.64269258 10.40435200 18.23214953 0.03105477 0.02311381 0.04818365 Na 0.04567034 13.00956065 18.21873039 0.00927531 0.02539172 0.01450189 Na 5.22844376 10.41421586 15.58548395 0.00698817 0.00973768 -0.00824153 Na 7.81828129 13.05875171 15.65901333 -0.01813234 -0.02789045 -0.03449365 Na 7.77378876 10.38084836 18.26370797 0.01671799 0.02270986 0.03096130 Na 5.25558603 13.08317165 18.25711505 -0.01420113 -0.02449407 0.04809405 Na 10.39003862 10.47514910 15.59392335 0.02008756 -0.04665709 0.03511647 Na 13.07300845 13.01942650 15.67616627 -0.02729445 0.01818398 -0.02662131 Na 13.02572363 10.46235264 18.27639386 -0.00083285 -0.03626433 0.03925005 Na 10.43238443 13.00089702 18.22901386 -0.00516362 0.01754059 0.05867257 Na 15.60494220 10.44334907 15.61416568 0.01665909 -0.03046764 -0.00307772 Na 18.22311280 13.06989530 15.60827384 0.04949651 -0.01956910 -0.00398306 Na 18.29253418 10.44710193 18.24548932 -0.02364426 -0.01698714 -0.03914905 Na 15.68964018 12.99163485 18.21342147 -0.03382489 0.01802286 0.05925319 Na 0.01076508 15.62340675 15.62526886 -0.03857656 -0.00366276 -0.00656576 Na 2.68186370 18.26435830 15.64939207 -0.03220652 0.03746877 -0.03459078 Na 2.63564184 15.67807574 18.21596700 0.00534630 -0.03254507 0.06148058 Na 0.05018188 18.21004119 18.23787251 0.05511681 -0.05058553 -0.06359423 Na 5.24325394 15.67887384 15.67382896 -0.00445114 -0.04774164 -0.03957802 Na 7.80206775 18.20751477 15.60538586 0.01950102 0.06794458 0.00078893 Na 7.86287284 15.65003315 18.27477476 -0.00090625 -0.00393495 0.04495910 Na 5.20394548 18.26631998 18.21796488 0.02023326 -0.00401939 0.01356821 Na 10.42035047 15.59177299 15.62533083 0.03603609 0.01235140 0.02573506 Na 13.07099372 18.26927795 15.67002368 -0.02931498 0.04676034 -0.04151284 Na 13.09975768 15.67886489 18.26972754 -0.03019736 -0.04558059 0.04058480 Na 10.43053083 18.27688956 18.26237967 0.00373322 -0.03014812 -0.03743880 Na 15.57168982 15.65803947 15.60783966 0.02351484 -0.01009906 0.01887027 Na 18.23773975 18.23759851 15.61331815 -0.03814191 -0.03003357 -0.00512242 Na 18.21814540 15.60813052 18.26907331 -0.03830215 -0.00763944 -0.04379897 Na 15.63807129 18.28194335 18.26220202 -0.00347115 -0.02732783 -0.02943153