32 Lattice="42.0 0.0 0.0 0.0 42.0 0.0 0.0 0.0 42.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-47.125647918904924 stress="-0.0001309624773340186 7.442509060953082e-05 8.969435766214531e-05 7.442509060953082e-05 -0.00012226191169230845 2.271733612237002e-05 8.969435766214531e-05 2.271733612237002e-05 -0.00014721367245144537" free_energy=-47.125647918904924 pbc="F F F" N 20.98453339 21.10170120 20.87793365 1.09439591 1.85662667 1.18074687 N 22.20178077 22.50082602 21.24624097 -0.58251741 0.10135260 -3.64469677 N 22.64302402 20.85498893 22.61042859 -0.10321873 -0.29519334 -1.69867280 N 21.20947124 22.35512851 22.55280714 -3.30165587 -3.37430554 1.32168086 N 23.91333883 20.84655491 20.87241235 1.94248827 3.04150518 0.89051635 N 25.32230844 22.41049160 20.72286420 -6.08657895 -3.07695666 -1.47761579 N 25.43858073 20.75205420 22.65488783 -3.08833130 1.88098378 1.43524212 N 23.92054207 22.20245745 22.66431082 3.10900669 -3.01507651 -0.36137153 N 20.81425730 23.98844065 21.20367324 -0.04350002 0.15301463 -0.95642818 N 22.36983098 25.37366136 20.96097674 0.01504432 1.63306739 0.81627214 N 22.28219307 24.21813893 22.26716069 3.97159537 -3.20585806 -0.58083721 N 21.19410236 25.33096497 22.38201197 -3.13154609 3.06355028 1.26530595 N 23.93300593 23.72002482 20.77696427 6.08274888 -1.21185057 -1.08219561 N 25.41661558 25.16732510 21.22586561 -3.36272453 -2.75668294 2.69065869 N 25.79391194 23.72614529 22.52103145 1.16700561 2.69233415 0.17108715 N 23.77761356 25.68220204 22.39362841 0.60989764 0.46820968 -1.99778110 N 20.95329743 21.02724172 23.77538150 0.52398448 -1.89964493 -1.02060216 N 22.20296332 22.20428732 24.12000440 -2.58416881 -0.15074767 0.86284014 N 22.28984966 20.98735431 25.42299150 -1.51882334 -0.92994849 -0.16749028 N 20.90698366 22.68107110 25.32825321 -0.10043010 2.13539626 0.31984004 N 24.13102478 21.09995250 24.26120756 4.25349669 -4.24316206 -2.05227181 N 25.77429090 22.75226748 23.81270094 3.10433437 1.69052823 -0.13838458 N 25.54396501 21.07236142 25.70379337 -2.67786052 1.29651329 -1.47842665 N 24.23854596 22.26922180 25.28229695 3.96988326 0.61899047 4.94480284 N 21.02031036 24.18745344 24.02015752 -3.20355436 1.93782095 1.98739003 N 22.58976132 25.77711528 23.87871118 1.17939396 2.89913067 -3.21586416 N 22.25213077 23.94336843 25.21824351 -0.37562531 0.67667132 3.26001440 N 21.13616082 25.26429260 25.62968218 -0.27290733 -1.89170650 -0.65921348 N 24.21980528 24.29977655 24.18543805 3.72185182 5.17266780 3.06654742 N 25.40429633 25.73038396 24.19989723 -0.42009490 -1.45013733 -2.50642689 N 25.62961200 23.87425859 25.65720406 -1.43459146 -1.53031833 -1.92125983 N 23.75607700 25.24194799 25.77432867 -2.45699824 -2.28677445 0.74659382