64 Lattice="70.0 0.0 0.0 0.0 70.0 0.0 0.0 0.0 70.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-41.52246921414053 stress="0.00014699763461489785 1.844839839116023e-05 3.686481403158478e-05 1.844839839116023e-05 0.00011177561687925149 3.0491430420551153e-05 3.686481403158478e-05 3.0491430420551153e-05 8.456816182482139e-05" free_energy=-41.52246921414053 pbc="F F F" H 35.28323305 34.94231731 35.34426775 0.00000000 0.00000000 0.00000000 H 36.52221949 36.58737120 36.35231780 3.42256517 -1.58073989 -1.32960896 Cu 37.87283489 37.26133410 34.91501309 -1.07261609 0.60040779 3.03878944 H 38.11103865 38.97794196 35.86000243 -0.24056212 -1.87706240 -1.06422873 Cu 37.92311431 35.05253863 37.08347222 -1.47326125 2.27558767 -1.16999058 Cu 38.45872728 36.17410853 39.05607962 3.74575360 -0.90317241 -2.34692897 H 35.31430573 37.75949199 37.29273725 0.44454363 2.64267071 2.25599910 Cu 36.17709151 39.19742274 38.63761442 -3.79429188 -4.45368067 2.09680781 H 40.07636723 34.60674454 34.69593566 0.00000000 0.00000000 0.00000000 Cu 41.25641920 36.65888016 36.71070628 -1.09359350 2.57446867 0.57090412 Cu 43.24805572 37.81533895 35.18058971 -4.02094215 -3.02884261 -3.96262855 Cu 43.99995851 38.32623522 36.17472124 2.32599859 3.47704091 5.11596893 Cu 42.17321906 34.91245981 36.92002310 0.49097224 -1.05866018 0.20565655 H 43.66119439 36.37462516 38.86215966 0.00000000 0.00000000 0.00000000 H 39.90969454 37.46179051 37.96435681 0.16954255 -1.99872873 -2.05032965 Cu 40.46850030 38.03428130 39.22854117 1.22024780 1.42504988 3.21926387 H 35.60603112 39.68419729 34.79713708 0.00000000 0.00000000 0.00000000 H 36.11006921 41.48310293 36.33041964 -0.34707751 -0.08372879 2.42615502 H 37.26069070 42.63785104 34.93288786 0.00000000 0.00000000 0.00000000 H 38.38842903 43.74329935 37.04611150 -0.04829346 -0.00076694 0.02043105 Cu 37.01427765 40.28227015 37.88456266 2.58975621 4.89393715 -2.71276073 H 39.07709439 40.92434156 38.76210830 -2.00887251 -0.73056924 -0.69747868 Cu 35.17116535 42.34136491 37.52646854 0.27532889 -2.96152046 -1.83500544 Cu 36.18209578 43.70991515 38.07852573 2.58337443 0.77931660 2.29130697 Cu 40.13423686 40.12245546 34.60513176 -0.86783406 -0.75715545 -0.45017412 Cu 40.95925024 41.31189841 36.07669840 2.62555073 0.88587982 -2.01034565 H 42.07683866 41.72014371 34.53916316 -1.30519540 -0.16515195 2.42831673 H 43.79210266 43.62878949 37.11484542 0.00000000 0.00000000 0.00000000 Cu 42.61876467 40.45661874 37.46959328 -0.77950503 -1.28915920 -2.19777704 Cu 43.70718886 40.83435622 38.87133246 0.06921945 2.57877453 2.15118890 Cu 40.69053179 42.82733933 37.79846882 0.12211672 0.84288698 1.27814095 H 41.32192733 43.89534720 38.95357008 -0.82876726 -0.61083385 -1.46593787 H 35.15816928 34.75058087 40.48538212 0.58085425 1.75485602 0.66421895 Cu 35.69049361 36.33901493 41.07807814 0.65256311 -3.38619175 -3.51774307 Cu 37.51879370 37.17420956 39.88465067 -1.21347770 4.90918524 2.74647282 H 38.64395908 38.71350480 40.95342125 -1.54197894 -2.24139746 -1.40976597 H 37.67832271 35.15987178 42.66626699 1.63322575 1.71069124 0.57678986 Cu 39.24135582 36.59836566 43.39981165 -3.88212561 -8.89046291 3.66314962 Cu 35.13412559 37.14634390 42.32540270 -0.87104129 1.96777367 2.99670106 Cu 36.74272579 38.58895030 43.35241932 -0.54894769 -4.00108301 1.33625968 H 40.51232585 35.08709541 40.45809703 1.17072547 1.12383169 0.20780212 Cu 41.69742692 36.26270000 40.66265909 -2.32946033 -1.74763401 -0.16570420 H 42.20847981 37.96637963 40.24411463 2.47878767 1.18176317 0.71699577 H 43.36167132 38.23394299 40.75425651 -2.20263664 -0.03602051 -1.16082330 H 42.84522213 35.49169263 42.45602951 2.06194516 1.46118274 1.54377586 H 43.96081200 36.07467618 43.40775423 -2.28182885 -1.24742556 -1.91399850 Cu 39.55674320 37.61709042 42.91718886 1.39766042 8.70720962 -4.11193471 Cu 41.42470201 39.37703409 43.75863032 1.06254787 1.38743608 -1.72154184 H 34.91217446 40.07531826 39.76041789 1.41623224 -0.99611882 -1.26434913 H 36.58459234 41.44022902 41.27392839 0.40231234 -1.90598492 1.53164328 H 37.40510432 42.91251581 39.54587726 -1.36229892 0.88814544 -1.63185322 Cu 38.46968342 44.13327401 41.46430809 -0.13934124 -0.80884249 1.71357095 Cu 37.24178589 39.94278919 42.66352489 2.36044173 6.41537633 -2.73777404 H 38.38993814 41.78980764 43.26121951 0.72914417 -1.09324662 -0.49190594 H 34.91245106 42.63870796 42.86357929 1.78066558 1.49500499 1.23397098 Cu 36.43456670 43.91486477 43.91378034 -0.85542274 -1.39372067 -2.35777284 H 40.57562699 39.95139570 39.95603652 -0.24216405 -0.98844122 0.17016187 Cu 40.87775954 41.63703745 41.38638459 2.33451641 -2.29640947 -2.57653218 H 42.65124986 42.75306836 39.36692792 2.19226095 -1.81770040 0.85017795 Cu 43.42670380 43.78229395 41.21753981 -1.05694818 -1.12449516 -1.04013623 H 42.61517021 40.37324320 42.39234485 -0.96794486 0.25016796 2.41719109 Cu 43.62366901 41.45476688 44.13283006 -1.41819421 -1.44933555 -1.52209055 Cu 40.14471599 42.36681293 42.89174020 -1.45028175 2.09567823 3.30658807 H 41.67046722 43.37145932 44.22388604 -2.09394794 -1.40003983 -1.85727863