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=-28.286567769735566 stress="0.0007220617721335043 -6.413669882434314e-06 3.7078276371650005e-05 -6.413669882434314e-06 0.000677992860736838 3.1012273135310356e-05 3.7078276371650005e-05 3.1012273135310356e-05 0.0007564323922593563" free_energy=-28.286567769735566 pbc="F F F" H 20.85540510 21.11115480 21.11044915 1.00675795 1.76489279 1.88266935 H 22.70960170 22.31143450 20.83833517 0.68876946 -1.52280136 1.15127759 H 22.28829595 20.83509776 22.67410596 -0.97237687 1.67904632 0.49754014 H 20.77812781 22.51878885 22.32834452 1.41330322 -0.96424923 -0.94138037 H 23.87679405 20.95894820 21.20259391 -0.57966869 2.45608866 0.65108238 H 25.56504129 22.20865944 20.86550211 -1.15057212 -0.72798563 1.23301260 H 25.28802619 21.22277084 22.68584377 -1.33678074 2.45665654 1.71339395 H 24.18362810 22.69581920 22.64685009 1.53051597 0.54578960 0.38419925 H 21.26959405 24.17626233 20.85402479 1.35855562 1.04706319 2.80849601 H 22.73595276 25.49207130 21.15300231 0.05209959 -2.07126619 2.02616570 H 22.26177966 23.95774659 22.41852158 -1.86249765 1.25639141 -0.27796166 H 20.95789336 25.38825682 22.27041603 1.83512527 -2.49373462 -0.63714399 H 24.19178619 24.17895518 21.29140871 0.76853383 1.50240458 2.57628416 H 25.61455359 25.53253581 21.14904689 -1.29004210 -1.61398545 1.11716604 H 25.28091226 24.10609294 22.46603997 -2.37994273 1.42828851 -0.10272759 H 23.80598025 25.32157598 22.51361598 -0.14063485 -2.05573103 -0.88298515 H 20.85198705 20.97567541 24.06329927 2.73736277 1.53683120 0.83466598 H 22.43745442 22.27846858 23.99451428 -0.58554806 -2.03207473 0.56284128 H 22.34126820 20.84140700 25.31668137 -1.05185201 2.61870309 -1.65636604 H 20.91986395 22.24396547 25.59073906 1.34073437 -1.67997503 -1.69436752 H 24.27219963 20.93381326 24.09508356 1.63157107 1.76264828 -0.51129833 H 25.75978669 22.22592512 23.78504734 -2.20384759 -2.26057659 -1.13048649 H 25.68365717 21.20288723 25.58343331 -1.03897100 0.55731942 -1.62159201 H 23.70168946 22.44809454 25.72094491 -0.53074693 -0.64514320 -1.31613933 H 21.23171545 24.18190327 23.82183498 2.02927776 0.94525627 -0.99778170 H 22.71219253 25.42485375 24.12990665 0.49217802 -2.32765155 1.19908022 H 22.28220450 24.28278197 25.56210000 -0.80833679 2.88469937 -1.46973482 H 21.13362859 25.32702941 25.57034430 2.50675347 -2.23342155 -0.99381267 H 24.04852473 24.05473499 23.91561068 1.02394767 1.16302237 -0.27665668 H 25.63661615 25.40480033 23.63279220 -1.42796495 -2.13006765 -0.70505212 H 25.29869006 24.11041876 25.26735611 -2.29646506 1.09000280 -1.47584476 H 23.83533445 25.24148635 25.58611608 -0.75923790 -1.93644058 -1.94654343