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=-1.5643905576007278 stress="-0.005244620264262202 0.0035637905941098766 0.001196993363067341 0.0035637905941098766 -0.0050291005517460125 -0.0008053015077501476 0.001196993363067341 -0.0008053015077501476 -0.007085622630700538" free_energy=-1.5643905576007278 pbc="F F F" H 10.53208287 10.35857546 10.77472959 2.99738764 3.91400885 1.47830879 H 11.01735611 11.08533445 10.99148635 -40.72977706 -21.53305252 -18.98629051 H 12.08611608 10.53369179 10.52598936 12.91750595 14.89625180 -3.89090526 H 12.47329650 11.02801166 11.14427608 14.91186596 -6.63445887 -19.76006128 H 10.25559716 11.70178472 10.83152540 0.24581707 1.82637837 -6.26204095 H 11.02290972 12.63090187 11.01108633 -11.98241701 -1.12784126 9.24358159 H 12.05835534 11.62011773 10.48193431 11.58013336 -15.10593840 -11.63249766 H 12.63099539 12.73289510 11.17156851 2.60567204 5.07465293 1.20025582 H 10.40085166 10.49793547 12.28187239 10.44314180 8.20475624 10.34808894 H 11.26001192 11.23453339 12.61886190 -12.90726359 -26.39724084 11.21500193 H 12.07203601 10.21904386 11.83179099 1.91361337 -11.58679427 7.17400495 H 12.87825294 11.32602994 12.32501375 6.53043314 1.43841780 8.72130728 H 10.61042859 12.20947124 11.85512851 -6.01807348 34.77887695 0.04233944 H 11.30280714 12.66333883 12.59655491 10.82939939 8.30989641 2.34133812 H 11.87241235 11.59927271 11.82710718 11.29183295 2.30145326 9.39087414 H 12.47286420 12.65370265 12.72791982 -14.62927153 1.64063356 -0.62330535