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=-160.82555613329305 stress="0.00035120209433269286 0.00011169486862446075 0.00018449725286564703 0.00011169486862446075 0.0005487558206450315 7.88226483551451e-06 0.00018449725286564703 7.88226483551451e-06 0.0006493511321279528" free_energy=-160.82555613329305 pbc="F F F" Si 35.06215363 35.05895731 34.97871075 0.00000000 0.00000000 0.00000000 Si 36.66077475 36.96418467 36.52987167 6.31840725 1.65230167 3.49915797 Si 37.33112972 37.54163954 34.60842080 5.68297957 6.41845634 7.22683881 C 38.33004603 38.67291825 36.36138709 -6.63462636 -10.97740619 -3.10936358 C 37.39878546 35.28489687 37.44629530 3.23932920 8.71902140 3.37331587 Si 38.57618226 36.64534354 38.82023254 -0.59160442 -4.73819709 -8.33646380 Si 34.75522559 37.90429937 37.47975650 6.36338858 3.20245695 6.16257398 C 36.35299683 38.71836453 39.10886605 -5.61712371 -6.45676107 -2.92126569 Si 40.19920885 34.94237275 34.86531311 2.29345531 3.10909302 2.55318465 Si 41.52221949 36.73611471 36.35231780 4.78583240 -0.37943503 -11.09541204 C 42.87283489 37.90101093 34.91501309 -7.01696376 -6.10951983 1.61415913 C 43.56677778 38.51917747 35.90309958 1.99734990 1.78580455 3.42040277 Si 42.92311431 35.05253863 37.08347222 3.00099669 4.13953588 10.24655016 C 43.45872728 36.06645338 39.05607962 -6.13762338 -0.47717212 -6.17318632 Si 40.35603343 37.75949199 37.29273725 -9.43200030 6.27961505 4.02943715 C 41.17709151 39.19742274 38.51128342 -2.86570435 2.57297860 2.20833523 Si 35.35430731 39.93312499 35.04601568 1.19247288 2.23613305 2.21252486 Si 36.25641920 41.65944301 36.71070628 3.20910151 -7.76460592 -0.06123407 Si 37.84646055 42.72367869 35.37229896 1.19479255 0.62382244 -1.00934041 C 39.58603783 43.32623522 36.17472124 -2.47757101 4.22893586 -2.60249136 C 37.55114769 39.80504928 37.24070894 -0.82777020 1.02342311 -3.64525355 C 39.03486626 40.50437450 39.27738496 -0.45293114 0.99101584 -1.00087822 Si 34.51994484 42.46179051 37.96435681 -4.66048475 -4.38057669 -3.33254358 Si 35.34875684 43.35761187 39.20226332 -0.18435110 8.38327542 2.27806696 Si 40.41444697 40.00592154 34.79501545 2.33572848 6.34559099 6.68779860 C 41.04808478 41.48360583 36.33041964 1.69780766 -9.96256699 -9.02393687 C 42.92540602 42.42470142 35.05798137 3.92844757 9.73727709 8.97069655 Si 43.59588642 44.08659288 36.58903814 -3.92844757 -9.73727709 -8.97069655 C 42.48578387 40.28227015 37.88456266 -16.91741182 -3.99213287 -5.79175471 C 43.54872313 40.42220879 38.41066121 11.74827793 0.56622640 7.18406907 Si 40.17116535 42.34136491 37.52646854 -0.24098377 5.74864868 7.94271843 C 40.79220907 44.19758804 38.52778404 -1.90615600 -6.13199290 -3.16832010 Si 34.85030393 35.12189261 40.35160405 3.91738005 5.88366736 2.51332358 C 35.95925024 36.79529887 41.07669840 2.42624853 -3.47192861 -11.12177386 C 37.07683866 37.17605562 39.53916316 -11.78138414 5.22952700 8.36833245 C 38.95633558 38.28708792 41.66945808 -0.70223123 0.53523029 -1.64504282 C 37.61876467 35.45661874 42.46959328 4.71407400 2.00898857 7.45511937 C 38.50512234 35.83435622 43.87133246 -4.71407400 -2.00898857 -7.45511937 C 34.81726006 37.78665237 42.58916514 0.20662660 -0.26313259 -0.37215904 Si 35.84845996 38.89534720 43.57989821 0.32928841 0.27508078 -0.15707992 C 40.85654330 34.75058087 40.43113249 0.36311951 0.37886960 4.52722503 C 40.77564792 36.33901493 41.07807814 3.74789943 -1.73427305 -8.51447875 C 42.51879370 37.17420956 39.88465067 3.58362983 -4.40326521 -3.42621516 C 43.65751700 39.10325450 40.87026368 0.00000000 0.00000000 0.00000000 Si 41.89497022 34.74652271 42.65915199 3.98227047 4.88858151 -0.78098913 Si 43.91963157 36.60048729 43.46174065 -5.33160480 -4.88210359 -2.11348211 Si 40.13412559 37.14634390 42.32540270 6.39706303 8.39372323 13.90851648 C 41.74568208 38.58895030 43.35241932 -10.14538074 -12.38792723 -3.84404581 Si 35.06145166 40.08709541 40.01017713 2.03719220 -4.29150818 -1.51934000 Si 36.69742692 41.26270000 41.11415287 -4.86026371 2.09125807 1.06430984 Si 37.20847981 42.39556795 40.24411463 21.81221131 -34.40148529 40.23698508 C 38.70014757 43.64062452 41.00124925 -1.31180844 -5.38352906 2.01199937 Si 37.84522213 40.49169263 42.19542868 -14.78804434 30.02181529 -44.40218304 Si 38.96081200 40.67303821 43.40775423 4.41547402 0.73799950 8.88905547 Si 34.89041417 42.36653589 43.09170515 -1.27317112 -2.18745300 -1.58560331 C 36.05540982 43.45145412 43.62166035 1.92279044 1.79062507 0.87467520 C 39.91217446 39.47944150 39.76041789 6.84812895 -2.58971691 -4.65917721 Si 41.58114781 41.44022902 41.27392839 6.19926522 1.89767917 5.71080293 C 42.52827190 42.45660391 39.91090889 -1.25769693 -1.19849154 1.76887775 C 43.11374126 43.89372277 41.90969543 -5.09768034 -0.27156451 5.14304766 C 42.44385241 39.94278919 43.15886799 -3.33070541 -0.96749541 -2.89720383 Si 43.54408390 41.41946619 43.31037196 -1.17356342 5.84249468 -5.06662723 Si 39.91245106 42.63870796 42.86357929 -3.29626025 2.18881139 -8.67648306 Si 41.40922218 43.80348262 43.63056617 7.06459304 1.62254267 -3.60295590