32 Lattice="75.87209701538086 0.0 0.0 0.0 75.87209701538086 0.0 0.0 0.0 75.87209701538086" Properties=species:S:1:pos:R:3:forces:R:3 energy=-2.9480444396102103 stress="-6.249932052461575e-05 3.334481405689543e-07 -1.0144213642096603e-06 3.334481405689543e-07 -6.05921420629073e-05 -1.1066131234230578e-06 -1.0144213642096603e-06 -1.1066131234230578e-06 -6.354186542887263e-05" free_energy=-2.9480444396102103 pbc="F F F" Na 37.81555275 38.02867750 38.02808947 -0.25974040 -0.29095950 -0.32449772 Na 40.84851083 40.48862835 37.80132781 -0.07534810 0.28106550 -0.44425499 Na 40.46934622 37.79862998 40.78443586 0.18082658 -0.45850209 0.09563264 Na 37.75115502 40.66142363 40.50272002 -0.47639554 0.10123934 0.11880408 Na 43.02222613 37.90183867 38.10487676 0.16943873 -0.53085751 -0.32580130 Na 46.11940283 40.40298245 37.82396693 0.32676925 0.08738345 -0.41009547 Na 45.88855692 38.12169087 40.80063606 0.38189015 -0.68124761 -0.20720258 Na 43.50850743 40.80894893 40.73793664 -0.40851721 -0.12124688 0.07135533 Na 38.16071022 43.50236928 37.81440250 -0.43626172 -0.22589520 -0.59126502 Na 40.74226529 46.05859451 38.06355043 0.02305856 0.55691655 -0.64263951 Na 40.47416652 43.32027283 40.57786757 0.22563957 -0.40941612 0.09671956 Na 37.90095964 45.97208244 40.45444628 -0.51247199 0.58663732 0.12935970 Na 43.51530583 43.50461333 38.17888910 -0.16330939 -0.26228447 -0.82375397 Na 46.16066308 46.09231494 38.06025425 0.27245777 0.35325650 -0.24332093 Na 45.88262864 43.44389479 40.61746624 0.80270984 -0.10931961 0.11664783 Na 42.94528815 45.91651508 40.65711291 0.24299486 0.77316183 0.22687219 Na 37.81270439 37.91577802 43.40823340 -0.53005278 -0.38949381 -0.13535895 Na 40.59364494 40.46115674 43.35091258 0.14207120 0.29457572 -0.16280571 Na 40.51348976 37.80388767 45.91243623 0.08128108 -0.53772011 0.45414253 Na 37.86926846 40.43240415 46.14081764 -0.37585428 0.26287429 0.36257062 Na 43.58231703 37.88089289 43.71388189 -0.23338201 -0.52001458 -0.19766983 Na 46.28169067 40.41737053 43.17635679 0.54759906 0.40450946 0.23312753 Na 46.21824940 38.10512120 46.13472952 0.30304978 -0.16994163 0.38660059 Na 42.99612046 40.60251171 46.24932252 0.10446888 0.19543576 0.47246704 Na 38.12914472 43.50707007 43.10776471 -0.66317825 -0.27821985 0.17793860 Na 40.70706553 46.00257988 43.46373955 0.00262671 0.72225975 -0.16670647 Na 40.46427001 43.59113565 46.11695176 0.11507695 -0.51771744 0.52596278 Na 38.04740567 45.92105960 46.12382201 -0.50341234 0.41318264 0.28628287 Na 43.39592129 43.40109650 43.28515958 -0.21266780 -0.31379502 0.06680936 Na 46.17904855 45.98586870 43.30177600 0.35594909 0.53217476 -0.08566857 Na 45.89744348 43.44749965 45.87133185 0.47752765 -0.29007389 0.47055359 Na 43.21826271 45.84977372 46.13696516 0.09515610 0.54203247 0.46919416