16 Lattice="21.0 0.0 0.0 0.0 21.0 0.0 0.0 0.0 21.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=383.24525180966884 stress="-0.08765830085989797 0.005706971577943784 -0.005658464155192195 0.005706971577943784 -0.08157752469999224 -0.013412131375844464 -0.005658464155192195 -0.013412131375844464 -0.08826754200915776" free_energy=383.24525180966884 pbc="F F F" C 10.35540510 10.61115480 10.61044915 -79.70408913 -48.94613930 -59.70572314 C 11.45960170 10.91342156 11.08833517 -53.11494168 27.10311063 -10.39796554 C 11.78829595 10.33509776 10.64041416 38.88252275 -122.85298325 -115.36152173 C 12.52812781 11.24446427 11.07834452 164.28316547 -5.99931056 -33.44563804 C 10.37679405 12.02224746 10.70259391 -87.78730987 13.74588189 -38.40694735 C 11.31504129 12.45865944 11.05295653 -76.98333615 168.24328972 -2.07184233 C 11.78802619 12.00123941 10.68584377 76.36893882 -4.20458174 -178.36231506 C 12.93362810 12.94581920 11.39136437 28.38196245 19.92464999 -16.42388964 C 10.76959405 10.67626233 11.85402479 -82.93442287 -54.14772368 45.81071236 C 11.45996341 11.24207130 12.90300231 -24.76302977 -32.89435637 109.41012452 C 12.03848316 10.45774659 11.91852158 34.76497613 -126.93348813 45.89130753 C 12.70789336 11.13825682 12.52041603 103.93651752 -27.56684110 61.99809720 C 10.69178619 12.17895518 12.29140871 -116.54748801 26.43482348 19.76461870 C 11.20582179 12.78253581 12.89904689 -12.45388304 84.16703236 86.64486342 C 11.78091226 11.94749994 11.96603997 43.19777913 37.03931168 34.84167379 C 12.55598025 12.57157598 12.76361598 44.47263824 46.88732437 49.81444531