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=-3.772051209661126 stress="0.0002332361124818052 1.5774467013413108e-05 1.016904693555033e-05 1.5774467013413108e-05 9.972649613961259e-05 -2.4634527204908603e-05 1.016904693555033e-05 -2.4634527204908603e-05 0.0002651030390573716" free_energy=-3.772051209661126 pbc="F F F" H 21.30769646 20.96727030 20.96235787 1.12390471 0.24672899 0.84749435 H 22.54882976 22.21904386 20.97093726 -0.34365537 -0.47335197 -0.03619024 H 22.44844415 20.86058287 22.21040324 -0.77969436 0.11183301 -0.93250405 H 21.11042859 22.70947124 22.25429999 1.59342636 2.05306109 -0.72658988 H 24.31516052 21.12339238 21.05867222 2.60378781 -0.86304470 3.36750825 H 25.32209925 22.61825516 21.06759619 -6.11334911 -0.29000107 6.28133242 H 25.21329274 20.79545271 22.22869833 -2.52139740 0.84910381 -3.31132381 H 24.39611683 22.58189833 22.01880093 6.12431845 0.20040821 -6.37464325 H 21.08965323 23.79992005 20.98844065 -0.06165714 -0.90011832 0.98355095 H 22.34720820 25.44348145 21.06640126 0.03187603 0.05964273 -0.02007894 H 22.46097674 23.58942239 22.47986560 -1.67134752 -1.05822365 -0.19861088 H 20.82048273 25.57846709 22.56207186 -0.02858330 0.01506745 0.01437932 H 23.88017219 23.94583868 20.92073823 -0.02269171 -0.00752658 -0.04277626 H 25.10554463 25.41661558 20.96512192 0.13830717 -0.18184794 0.21141989 H 25.68292986 24.29391194 22.22614529 -0.94209103 0.70160105 0.21624588 H 24.29663126 24.99083069 22.89956649 0.95935441 -1.29898023 1.15724807 H 20.89362841 21.23573857 23.81328950 0.84633656 0.57760558 0.13903880 H 22.27538150 22.20296332 24.05271432 -0.84099608 -0.61318711 -0.19178983 H 22.51307915 20.79025991 25.34180054 0.09432863 -0.03461570 -0.02589132 H 20.91488031 22.47181062 25.52727170 -0.06087528 -0.01795290 0.10031773 H 23.84646704 20.83677903 24.06958473 -0.06922462 -0.03072289 0.05887598 H 25.66516302 22.34420351 23.98276348 0.05087905 -0.00087995 -0.05838489 H 25.58468028 21.00027749 25.33259634 0.02646902 -0.02500354 0.03226411 H 24.45229080 22.99766486 25.45941505 0.79741939 1.32226989 -0.37584301 H 20.98107410 24.12912349 24.31995600 2.73153632 -0.55929804 2.25926106 H 22.62046904 25.43413357 24.13143398 -0.02660857 0.10215647 -0.06847631 H 22.15882829 23.88785204 25.28916643 -2.76283289 0.54166321 -2.22197041 H 20.80326278 25.64309438 25.42931013 -0.02735659 0.02428849 0.01594954 H 24.35548296 24.21980528 24.29977655 -0.58650847 2.56709921 1.35708050 H 25.61410125 25.64344099 24.07283812 0.06757629 0.06594837 -0.04698151 H 25.74303689 24.07793383 25.63406213 -0.80223135 -0.78933154 -0.05879775 H 24.12387649 25.26564846 25.38507600 0.47158058 -2.29439142 -2.35111450