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=2.5736416849798682 stress="-0.0021682779079549136 5.285260613512137e-05 0.00023430044699554244 5.285260613512137e-05 -0.0025255497330617877 0.0004473443506171594 0.00023430044699554244 0.0004473443506171594 -0.002191093850688603" free_energy=2.5736416849798682 pbc="F F F" H 10.37719504 10.29869006 10.61041876 1.61665227 -2.49107149 -0.47474985 H 11.17224393 11.08533445 10.99148635 -3.03465046 -3.01715750 -2.93576698 H 12.08611608 10.53369179 10.52598936 -0.42490096 -4.21175645 -2.67468329 H 12.47329650 11.21375436 11.15583543 4.04994659 -0.19436661 1.85784637 H 10.25559716 11.70178472 10.79874826 -3.36906650 2.10637469 -1.22863959 H 11.08279512 12.63090187 11.11136659 -0.87405087 5.11315507 -2.19806331 H 12.05835534 11.74645637 10.48193431 0.92165396 3.95377196 -4.51385028 H 12.67001865 12.95070203 10.95342959 2.11420899 1.54305553 -2.10016489 H 10.40085166 10.49793547 12.28187239 -3.27864176 1.66850479 3.61602641 H 11.26001192 11.23453339 12.55415866 -2.02399036 -6.20322509 0.27211406 H 11.87793365 10.21904386 12.00082602 3.11759727 -1.29968408 2.29361363 H 12.81049827 11.38146467 12.60498893 -0.00729503 -0.63235433 0.02330895 H 10.61042859 12.24224837 11.75484825 -3.04915830 1.23681853 1.64784921 H 11.30280714 12.66333883 12.59655491 0.13268237 0.45905363 0.62303208 H 11.87241235 11.82230844 11.91049160 3.79565206 -0.10698612 3.79352288 H 12.47286420 12.68858073 12.50205420 0.31336074 2.07586746 1.99860460