32 Lattice="7.536429508295499 0.0 0.0 0.0 7.536429508295499 0.0 0.0 0.0 7.536429508295499" Properties=species:S:1:pos:R:3:forces:R:3 energy=-219.32203083255922 stress="-0.09167201642696673 -0.003877934342359636 0.002851427124181838 -0.003877934342359636 -0.0976638372147337 0.011465252611942938 0.002851427124181838 0.011465252611942938 -0.09442867656595842" free_energy=-219.32203083255922 pbc="F F F" W 0.01617245 0.00316836 0.02746550 0.00059116 0.65131996 0.13812014 W 1.88160370 1.89434507 0.02196684 0.74277573 0.17911048 -1.77707296 W 1.91210753 0.00073528 1.85237522 -1.28375388 -1.43625656 3.23084690 W 0.00047760 1.91129666 1.89955232 -1.43846778 -1.05216990 0.57606895 W 3.73080236 0.01852488 0.01643530 1.71983796 -0.72272343 -1.40177413 W 5.62757881 1.88281783 0.03728613 0.55314329 0.68147978 -1.45821806 W 5.67112612 0.00210224 1.86604937 -0.40585566 -0.56036010 1.30263780 W 3.77433816 1.87516919 1.92013944 -0.53043878 1.43581032 -0.13059858 W 0.01858121 3.74148668 0.01193477 -2.36352558 0.64142925 -1.47188986 W 1.85063366 5.62580878 0.01169650 1.39080583 1.65121844 -1.03425677 W 1.86857907 3.78215504 1.86945048 2.64717388 -1.83348448 2.39664659 W 0.02139293 5.63811732 1.92026798 -2.78787837 1.45859643 -1.71455025 W 3.76872941 3.78043606 0.02440813 -1.84066142 -1.49931128 -2.59020134 W 5.62864821 5.63299229 0.01533224 0.95527733 1.24277099 -1.21142048 W 5.61693794 3.79415934 1.86743112 3.23512628 -3.00748485 2.18434638 W 3.79986175 5.63152669 1.90169947 -2.77954637 2.79428297 0.89605466 W 0.01491379 0.03214516 3.78478328 -1.15751968 -0.89671632 -1.29769093 W 1.85763188 1.90988742 3.78512862 2.43859390 -0.99720134 -2.75524774 W 1.89192928 0.01986750 5.62405963 -0.71500749 -1.63465897 1.80015020 W 0.02944932 1.91786110 5.64957230 -2.00212842 -0.62596656 1.70273110 W 3.78420150 0.03002681 3.79526995 -0.15890942 -2.19098673 -1.78466487 W 5.68131937 1.89384128 3.79700245 0.51296615 1.58684493 -1.63788629 W 5.68114232 0.04218090 5.62617058 -0.05035288 -0.52562694 1.04138522 W 3.73699524 1.86665184 5.66484941 2.51289806 1.02452352 1.65231507 W 0.03555216 3.79841193 3.79557917 -2.85649999 -1.97105952 -0.93461365 W 1.85963484 5.66103157 3.73252470 2.86817467 2.04779690 2.02374612 W 1.91560210 3.73723119 5.67565557 -0.47943310 2.72506701 2.50493980 W 0.03023964 5.60078813 5.67270555 0.37910868 0.65989061 0.57618952 W 3.73211245 3.75955434 3.79156066 1.84414664 0.54689050 -1.02233626 W 5.67902192 5.61525458 3.76454782 0.22379403 0.55915555 0.49913650 W 5.67072776 3.77862764 5.67414793 -0.49566477 -0.69778111 0.06751611 W 3.80146399 5.67243303 5.65248894 -0.67877001 -0.23439953 -0.37040890