32 Lattice="91.76129913330078 0.0 0.0 0.0 91.76129913330078 0.0 0.0 0.0 91.76129913330078" Properties=species:S:1:pos:R:3:forces:R:3 energy=-3.371175077442535 stress="-2.810472439789165e-05 1.199427124140442e-07 -3.7386225231001327e-07 1.199427124140442e-07 -2.744404179553812e-05 -4.5385276431115207e-07 -3.7386225231001327e-07 -4.5385276431115207e-07 -2.8444436780854646e-05" free_energy=-3.371175077442535 pbc="F F F" K 45.76015381 45.97327856 45.97269053 -0.17442459 -0.19151808 -0.21056563 K 49.36058340 49.00070091 45.74592887 -0.03267087 0.16661104 -0.30383928 K 48.98141878 45.74323103 49.29650842 0.11848593 -0.31225755 0.06834024 K 45.69575608 49.17349620 49.01479259 -0.32485873 0.06556962 0.07656668 K 52.10177020 45.84643973 46.04947782 0.08815397 -0.34074447 -0.22969109 K 55.76641840 48.91505502 45.76856799 0.22768517 0.06040215 -0.27590939 K 55.53557249 46.06629193 49.31270863 0.26602988 -0.42756697 -0.10670037 K 52.58805150 49.32102149 49.25000920 -0.25131121 -0.05798116 0.05589101 K 46.10531128 52.58191335 45.75900355 -0.29062866 -0.13773050 -0.37629472 K 49.25433785 55.70561008 46.00815149 0.02088691 0.35770580 -0.40536900 K 48.98623909 52.39981690 49.08994013 0.14219936 -0.24462812 0.07348954 K 45.84556070 55.61909801 48.96651885 -0.32890553 0.37659519 0.08432395 K 52.59484990 52.58415739 46.12349016 -0.10248400 -0.16207360 -0.52120421 K 55.80767866 55.73933051 46.00485531 0.17949171 0.22771545 -0.16229423 K 55.52964421 52.52343886 49.12953880 0.51058935 -0.07548349 0.07255508 K 52.02483222 55.56353065 49.16918547 0.13384163 0.49806488 0.13603551 K 45.75730544 45.86037908 52.48777747 -0.34336338 -0.26420459 -0.08564153 K 49.10571751 48.97322930 52.43045664 0.09371691 0.18418621 -0.10604093 K 49.02556232 45.74848873 55.55945181 0.05140269 -0.34857175 0.30323934 K 45.81386952 48.94447671 55.78783322 -0.25426955 0.16218289 0.24406044 K 52.66186110 45.82549395 52.79342596 -0.14666705 -0.35177029 -0.13187850 K 55.92870624 48.92944309 52.25590086 0.35854879 0.24296831 0.12720581 K 55.86526497 46.04972226 55.78174509 0.19788216 -0.12410917 0.24670200 K 52.07566453 49.11458427 55.89633809 0.05721719 0.12499621 0.32053477 K 46.07374578 52.58661414 52.18730878 -0.43250574 -0.17325832 0.09174703 K 49.21913809 55.64959545 52.54328362 0.00720580 0.46696058 -0.10844359 K 48.97634257 52.67067972 55.76396733 0.07369792 -0.30452697 0.35201866 K 45.99200672 55.56807518 55.77083758 -0.30713606 0.25824638 0.18957655 K 52.47546535 52.48064057 52.36470365 -0.13607653 -0.19922254 0.02577355 K 55.82606412 55.63288428 52.38132007 0.23984919 0.34615992 -0.05783952 K 55.54445905 52.52704371 55.51834742 0.31195967 -0.17595736 0.30754438 K 52.29780678 55.49678929 55.78398073 0.04645769 0.35324031 0.30610744