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=78.410171686999 stress="0.018171613692786782 -0.0030860860493908075 -0.002188895322526011 -0.0030860860493908075 0.0159245210973646 0.011629357858936552 -0.002188895322526011 0.011629357858936552 -0.00827980131590958" free_energy=78.410171686999 pbc="F F F" H 10.53208287 10.29869006 10.67030417 -3.09985876 -7.02488594 -14.60677089 H 11.01735611 11.08533445 10.99148635 54.45193798 -45.29815486 -45.36120932 H 12.08611608 10.53369179 10.69030018 -76.65468356 31.98707820 37.04960915 H 12.47329650 11.21375436 11.15583543 24.21739839 19.83501241 -18.17174464 H 10.28837429 11.70178472 10.79874826 63.30138209 105.27439587 15.69925676 H 10.92262946 12.63090187 11.11136659 -86.63200297 -98.10257707 -37.11509527 H 12.05835534 11.74645637 10.48193431 25.46238731 16.75816874 -12.41127382 H 12.67001865 12.95070203 10.82709095 2.40526757 -0.23857364 -8.46738046 H 10.40085166 10.49793547 12.28187239 -17.14652252 -2.50295360 33.14871595 H 11.26001192 11.19551013 12.63389428 37.18014816 -21.97869483 -1.58277344 H 11.87793365 10.21904386 12.00082602 4.07600735 -33.32477432 8.44948535 H 12.99624097 11.39302402 12.60498893 -30.63026459 113.45352655 33.44748577 H 10.61042859 12.20947124 11.85512851 6.61442807 48.26432887 24.72896679 H 11.30280714 12.66333883 12.59655491 77.80688441 -21.57280388 -17.95240687 H 12.09055128 11.82230844 11.91049160 -54.23952851 0.36839761 18.68794613 H 12.47286420 12.45574142 12.69615656 -27.11298040 -105.89749010 -15.54281117