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=7.424247360208881 stress="-0.004494395889741327 0.0003386105974685246 0.00011299819555215518 0.0003386105974685246 -0.003606996256382857 0.0002498532969499051 0.00011299819555215518 0.0002498532969499051 -0.005626808955227464" free_energy=7.424247360208881 pbc="F F F" H 10.77219963 10.43381326 10.37778556 -2.27667342 -1.42260614 -1.71197651 H 11.50978669 10.97592512 11.03504734 -7.56807432 0.33486239 -4.87391098 H 12.18365717 10.70288723 10.58343331 6.18838607 -4.25092847 -7.69866349 H 12.54585403 11.18002885 11.39096356 9.60041655 1.16662310 1.50979489 H 10.93241748 11.88533286 10.32183498 -2.99373767 0.62715442 -4.21686826 H 11.46219253 12.67485375 11.37990665 -9.50954532 21.36591799 -13.30079744 H 11.68305616 12.28071744 10.56210000 1.93896746 0.38905759 -11.25796123 H 12.88362859 12.58704133 11.30487769 3.33872324 0.96515150 -0.12863779 H 10.54852473 10.65643619 11.79354433 -3.46905835 -1.31097031 1.92760801 H 11.10566001 11.15562635 12.62719504 -2.05795459 -1.67552510 3.16526634 H 11.79869006 10.61041876 11.76735611 2.03505169 -7.47376663 8.96428571 H 12.83157542 11.13451037 12.69110502 0.58296268 0.35876125 1.00457938 H 10.53369179 12.13641795 11.93276774 -7.26760790 -0.49177571 2.15645676 H 11.21375436 12.65583543 12.50559716 -3.93445662 3.55484762 9.20454448 H 11.70178472 12.29874826 11.77290972 12.86304611 -12.27269638 13.35747739 H 12.48603037 12.66417373 12.72169418 2.52955440 0.13589287 1.89880274