32 Lattice="34.22756576538086 0.0 0.0 0.0 34.22756576538086 0.0 0.0 0.0 34.22756576538086" Properties=species:S:1:pos:R:3:forces:R:3 energy=-20.422421872079454 stress="0.0002042730539957758 -0.00017548762775536868 -5.484889724012155e-07 -0.00017548762775536868 0.00021570473670879948 -2.7458989449927533e-05 -5.484889724012155e-07 -2.7458989449927533e-05 0.00014463543954876886" free_energy=-20.422421872079454 pbc="F F F" H 17.31898369 17.23296956 16.99294033 -0.40072729 1.23832207 1.34067437 H 18.42821977 18.51075531 16.99305664 1.21767917 -1.21482659 -0.23887035 H 18.38020189 17.04156524 18.20832503 0.72740879 -0.74928709 -0.55667834 H 17.00745984 17.95275202 18.14111753 -0.26693737 -0.80455864 -0.90042548 H 19.32766251 17.06260016 16.90716139 -1.16726508 1.25039136 1.25223944 H 20.91009526 18.38610045 17.08445858 -1.08000217 -0.92374581 1.76039618 H 20.91794776 16.95899730 18.32656315 -0.73365612 1.96947251 -0.48785188 H 19.58592329 18.25262906 18.23091375 1.08654907 -1.57944044 -1.34632028 H 16.95491430 19.55214786 17.47232975 0.13828186 0.62253962 0.59019018 H 18.14216319 20.94277404 16.97292036 -0.28269232 -0.39013150 1.00722679 H 18.19594500 19.74940288 18.10288330 -0.38064726 -0.33143788 -0.42656209 H 16.92791977 20.84245555 18.30713088 0.90171109 -0.32610851 0.35150379 H 19.74683035 19.80353563 16.88557063 1.34179054 0.56474846 -0.27062749 H 20.79854828 20.59570004 17.26561792 -0.73650587 -0.94476407 -0.42934782 H 20.69237908 19.74708160 18.23962403 1.53497821 0.27451034 -0.89412330 H 19.37142692 20.53349151 18.21025678 -1.25304163 0.67710104 -0.62704577 H 17.29781031 16.93865760 19.52860770 0.79028885 0.37385685 -0.35635150 H 18.27202220 18.25868233 19.70950159 -1.27733888 0.07544177 -0.34761141 H 18.19307362 17.22297020 20.88265993 -1.26994918 0.24777832 -0.03544938 H 17.33145585 18.34614387 20.83819787 0.48367209 -0.64544518 -0.14338200 H 19.52887565 17.15042039 19.61891019 0.64001193 0.18187331 -0.07186623 H 20.88863522 18.53498424 19.36629384 -0.55186775 0.33132719 -0.03676503 H 20.59960287 17.13070818 20.93723327 -2.15264674 1.80598141 -0.48704001 H 19.57540694 18.23595242 21.01195147 2.29525261 -2.16282677 0.47460131 H 17.00076116 19.35205132 19.33465161 0.55845292 -0.50417335 -0.29433452 H 18.10139887 20.89448942 19.20754540 -1.17539075 0.29817143 -0.84292546 H 18.44426443 19.74178007 20.79793194 -2.05035979 2.83907940 0.85062227 H 17.26831459 20.74319659 20.84208821 2.19754011 -1.73277158 -0.11753263 H 19.88580662 19.50597677 19.45382450 0.29570239 -1.11725644 0.47459968 H 20.71346435 20.63016415 19.46283901 0.38133543 0.52560773 1.36017852 H 20.93272980 19.73681217 20.66490263 -0.43663060 0.55644133 -0.67142737 H 19.70102244 20.75611477 20.53132490 0.62500374 -0.40587027 0.12030582