32 Lattice="42.0 0.0 0.0 0.0 42.0 0.0 0.0 0.0 42.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-4.414142562377238 stress="0.00028984869060135415 2.2614375998670713e-05 -3.0837078465952184e-05 2.2614375998670713e-05 0.0002148218982747108 1.8707606225868332e-05 -3.0837078465952184e-05 1.8707606225868332e-05 0.0002574055735624226" free_energy=-4.414142562377238 pbc="F F F" H 21.05805573 20.76358393 21.16694839 0.67964886 0.00772535 0.66768795 H 22.51001192 22.78221793 21.10170120 0.12511257 1.11234010 2.47187279 H 22.36067056 20.88993997 22.47093726 -0.69860441 -0.08062821 -0.78427247 H 21.24624097 22.64302402 22.35498893 1.63921091 1.18967810 -0.63022462 H 24.11042859 21.20947124 20.85512851 0.42624863 0.87504312 0.43827561 H 25.55280714 22.41333883 20.74572639 -0.49680801 -0.47304336 -0.05258733 H 25.63476574 21.03236199 22.62260891 0.10764438 -0.09663322 -0.02417215 H 23.72286420 22.38826763 22.25205420 -0.59444415 0.18013829 -1.42121505 H 21.45083455 24.21699000 20.94368646 2.26861723 0.49105498 1.01710716 H 22.66431082 25.31425730 21.01045358 0.88664464 -3.20073414 -0.37634800 H 22.34912061 23.89971974 22.29900377 -1.56591096 -1.86296217 -1.99111847 H 20.96097674 25.28219307 22.71813893 0.69019832 -2.29292083 2.51373207 H 23.76716069 24.19410236 20.81662773 -1.96072408 2.17407810 0.27346765 H 25.19644304 25.47676763 20.91276472 -1.44885056 0.16480477 1.46933194 H 25.08419359 23.67834226 22.51844396 -0.61811764 -0.27575945 0.21043389 H 24.11023035 25.79207216 22.23897805 1.14646766 -0.24930521 -1.60296424 H 21.02103145 20.97832696 24.18220204 1.44049947 -0.14344467 1.69488951 H 22.22220877 22.73573857 24.17444979 -1.41559079 0.83686088 2.88955544 H 22.27538150 20.70296332 25.34887301 -1.61986793 0.40371076 -1.32257726 H 21.22083292 22.37927310 25.48735431 1.65563825 0.44905850 -1.98649063 H 23.88005574 21.18258347 23.89428823 0.00012539 -0.01333174 -0.01777452 H 25.54561766 22.41707257 24.30379381 -0.71001575 0.54556344 1.31489191 H 25.55345379 20.74408715 25.75267773 0.05765289 -0.10929156 0.05655383 H 24.21983244 22.39841124 25.56425023 1.52953272 0.79301513 -0.65513736 H 21.26862033 24.23854596 23.76922180 -0.04849425 3.32346274 -1.59407887 H 22.28229695 25.52031036 24.18745344 -1.62306959 -1.28049225 0.41860731 H 22.36635813 23.89792160 25.48286953 -0.54742321 -1.32563724 -1.10556019 H 20.87871118 25.22176301 25.23125112 1.29075414 -0.09766017 -1.18193062 H 23.71824351 24.29202295 23.76429260 0.03256333 0.07062044 -0.22473470 H 25.62968218 25.62376074 24.29977655 -1.18382711 0.01179086 0.91857109 H 25.51770405 23.68510542 25.69363967 -0.71338341 -1.25080261 -0.54756878 H 24.19989723 25.58592448 25.37425859 1.26857249 0.12370128 -0.83622288