32 Lattice="33.99711990356445 0.0 0.0 0.0 33.99711990356445 0.0 0.0 0.0 33.99711990356445" Properties=species:S:1:pos:R:3:forces:R:3 energy=-3.676877337771698 stress="-0.0002062190158600543 -8.155960451659536e-05 0.00039135758594859406 -8.155960451659536e-05 7.96592205472265e-06 0.000415420272238181 0.00039135758594859406 0.000415420272238181 -0.00040193046574717135" free_energy=-3.676877337771698 pbc="F F F" H 16.90614069 17.09118895 17.09060091 -0.91442776 1.14741051 0.14909626 H 18.38741089 18.05560489 16.88549705 1.92855314 -2.17357311 0.33746076 H 17.80573651 17.11009831 18.32975461 2.90539917 0.37894222 0.72943339 H 16.86229592 18.22840018 18.06969657 -0.77238979 -0.47256722 -1.68231247 H 19.32425404 16.96435012 17.16738821 -2.35752392 1.25846157 -2.10665366 H 20.48402323 17.95490426 17.05373007 0.08792821 0.71338567 -1.97050356 H 20.46446367 17.18420232 18.36761261 3.23895932 6.45545361 4.28760738 H 19.57994908 18.12878346 18.25249427 0.81965732 -0.99695914 -0.35248594 H 17.22322166 19.57381093 16.87691394 -0.90974685 0.18120403 0.11976359 H 18.38771231 20.63450126 17.12434144 0.41133108 2.12738521 -0.37428672 H 18.24481210 19.39171448 18.14484412 0.23292477 -1.82749634 1.04385646 H 17.19836474 20.54798920 18.02142283 -1.19004003 0.96148923 -1.68716362 H 19.58674748 19.57605498 17.24140054 5.32628466 -1.05283340 3.34797209 H 20.74491311 20.66822169 17.10987686 0.59680956 0.71523485 -0.36841408 H 20.45853539 19.60008744 18.18444278 -2.43748392 -0.77940486 -6.08679867 H 19.26524253 20.49242183 18.22408946 -0.85964406 1.72461545 -1.29930597 H 16.87590418 17.18349027 19.47967505 -2.34938707 1.45317482 4.18594443 H 18.27980817 18.02813329 19.30151167 -0.03788278 -0.24983857 -1.72573288 H 18.17249013 16.86639912 20.48834299 2.34167184 0.50540722 1.60665644 H 17.10633927 17.99938069 20.59599815 -1.30325099 -1.73778303 -2.35199479 H 19.69776463 16.94340433 19.53636665 -0.46094632 -2.36483489 5.87361725 H 20.78537978 17.98434708 19.24779844 0.55419018 -3.52456542 -5.78084534 H 20.66628524 17.06130960 20.56255997 -2.15982377 -1.07441659 -1.54047238 H 19.18221368 17.93854176 20.77404655 -1.73010598 -1.15159011 0.40735506 H 17.19165616 19.57851172 19.27845481 0.29054839 0.31065087 0.00747898 H 18.18294842 20.57848663 19.53518120 -0.90373614 0.30469640 -3.26984054 H 18.03124656 19.66257730 20.69285851 -5.56411443 3.36666000 3.14808219 H 17.10991711 20.49696636 20.69972876 4.40049736 -4.58159135 1.79082352 H 19.59643612 19.47253815 19.35660123 -0.59679059 -0.93547190 2.20095147 H 20.80485980 20.31382333 19.32458820 0.86199115 0.52832430 1.17171080 H 20.61027592 19.36415571 20.43760581 -0.04464219 0.12622971 -0.67002511 H 19.28970436 20.42568048 20.74018619 0.59519047 0.66420021 0.85902566