32 Lattice="7.536429822081003 0.0 0.0 0.0 7.536429822081003 0.0 0.0 0.0 7.536429822081003" Properties=species:S:1:pos:R:3:forces:R:3 energy=-219.09643199521386 stress="-0.10116108848446216 -0.014251720228196407 -0.009647153988835117 -0.014251720228196407 -0.09910360128406966 0.0032991654358487553 -0.009647153988835117 0.0032991654358487553 -0.09633999823391709" free_energy=-219.09643199521386 pbc="F F F" W 0.02151157 0.02409909 0.00380053 0.40276049 -0.24888840 0.42441020 W 1.91656345 1.85970292 0.02997851 -2.11231571 1.98151795 -2.94385647 W 1.90939186 0.01404790 1.91708354 -0.81639322 -3.65921585 -0.98334628 W 0.01972159 1.86206654 1.89964091 -2.27768714 1.92332816 -1.99241454 W 3.74633784 0.00288616 0.02139648 0.89622669 -1.39179940 -0.93533804 W 5.62603609 1.88729949 0.02435518 0.91735501 0.01753735 -1.77274792 W 5.64553933 0.02924585 1.86218519 0.11836260 -0.91132370 1.54538182 W 3.73054555 1.89929178 1.87865052 2.92341561 -1.00962836 2.87948976 W 0.03072125 3.80466052 0.03081002 -1.92701316 -2.62697620 -1.46728821 W 1.87603962 5.63513091 0.01103823 1.62921933 1.28219073 -1.03476777 W 1.88058191 3.75278726 1.88612749 0.90371570 0.84863815 0.82280918 W 0.00713076 5.67266089 1.87076352 -0.80410964 0.63369317 1.12823999 W 3.78323276 3.75931246 0.03542223 -1.57835674 1.54406686 -2.81519221 W 5.62665447 5.66611422 0.00662206 -0.54527727 -0.66761061 0.81631264 W 5.63405336 3.74141938 1.89754573 1.89528621 1.13074544 1.40056559 W 3.73290297 5.67126065 1.88318399 1.36608215 0.50486550 0.51837895 W 0.00423634 0.03300618 3.74291045 -1.60425583 -2.55344689 1.33849979 W 1.86450051 1.86393703 3.76112991 3.05626082 2.27181627 0.94985174 W 1.88118041 0.01121822 5.64470419 0.91744320 -0.90967075 0.24572776 W 0.02763407 1.87399474 5.65194756 -2.22090625 0.21366341 0.64607026 W 3.78569530 0.02439667 3.78052903 -1.17229600 -2.43958978 -0.54655683 W 5.63635153 1.84853341 3.80066443 3.32926325 1.69552260 -3.29105476 W 5.68306769 0.00965556 5.62112453 -0.32324076 -0.51427997 1.08423504 W 3.77060864 1.90880221 5.63558874 -1.97202372 -2.23260353 3.49307789 W 0.03014471 3.76424806 3.75720405 -3.88621150 -0.48593729 -0.67596989 W 1.86313860 5.63852002 3.74031555 1.27257430 1.80100203 1.62189979 W 1.84957719 3.74563414 5.62719961 2.95838459 0.90440444 2.11561932 W 0.00862509 5.61999583 5.65960956 0.02120169 0.16709562 -0.49982115 W 3.79124638 3.73893962 3.80177004 -2.32686225 2.30140819 -2.69054250 W 5.66791447 5.68073374 3.81139209 -0.65302421 -0.41673071 -0.53381141 W 5.64679767 3.73586689 5.63052775 1.98432909 1.56416626 1.78046738 W 3.74978560 5.68287659 5.67470712 -0.37190733 -0.71796069 -0.62832911