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=4.1389920068026305 stress="-0.00954246051691818 -0.0030387688057179054 -0.001548825852261614 -0.0030387688057179054 -0.0004664033631093682 -0.000362090283254839 -0.001548825852261614 -0.000362090283254839 -0.0036944707969171655" free_energy=4.1389920068026305 pbc="F F F" H 10.50779751 10.29505926 10.68365717 -0.81359411 -4.31967296 6.99460556 H 11.45288723 11.33343331 11.04585403 10.12126974 -9.45505528 -15.00036663 H 11.94809454 10.70547830 10.83341666 -5.77705070 7.10822187 10.46671398 H 12.93190327 10.94976863 11.46219253 -0.99413620 -3.53944089 7.16012983 H 10.42567976 12.12990665 10.52844548 0.16823291 5.19244153 -1.30234984 H 11.53278197 12.66708893 11.38362859 -5.34955006 1.88840027 -14.18712144 H 11.93745801 12.27981554 10.54852473 -19.88451038 -2.05260665 -15.76259360 H 12.80473499 12.52073919 11.43942328 40.41795735 8.90755091 -0.72047807 H 10.40480033 10.29053387 11.79869006 -60.12100976 -18.45147294 -11.57980784 H 11.20697367 10.88976846 12.58533445 13.84656752 4.94922831 7.66594006 H 11.56379479 10.49660768 11.75655600 49.04387624 24.25957867 -3.07696143 H 12.71457008 10.72535070 12.86864219 -3.53472213 0.08320048 -9.32817627 H 10.46572083 11.45805461 11.86609555 1.52814140 -2.69751431 3.49964615 H 11.36300556 12.52290972 12.63090187 0.45482280 -0.58515464 10.42818088 H 11.84980724 12.09113248 11.64617611 -13.91726887 -12.29042952 11.48629897 H 12.60559567 12.63099539 12.73289510 -5.18902575 1.00272515 13.25633968