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=1155.0689022199526 stress="-0.023846559085628875 0.0005754145701384058 -0.00203402264225958 0.0005754145701384058 -0.023973673186814558 -0.0036486960483288655 -0.00203402264225958 -0.0036486960483288655 -0.025271199289607756" free_energy=1155.0689022199526 pbc="F F F" O 20.85540510 21.11115480 21.11044915 -17.87578141 -70.46761360 -55.05988486 O 22.70960170 22.31143450 20.83833517 -18.57271305 15.73147001 -40.00837093 O 22.32198775 20.83509776 22.66640352 17.73337160 -48.30781042 -26.61972679 O 20.77812781 22.51878885 22.05164101 -33.81227091 50.08197529 37.34204704 O 23.87679405 20.95894820 21.20259391 15.37590249 -54.35218585 -21.61554676 O 25.56504129 22.17241380 20.86550211 27.38594888 4.78383882 -30.71654180 O 25.28802619 21.22277084 22.68584377 22.75107068 -126.73714793 -115.37073736 O 24.18362810 22.69581920 22.55268552 -20.51213034 -15.56598988 -6.39277659 O 21.26959405 24.17626233 20.85402479 -34.63361462 -50.15480368 -99.43256196 O 22.70996341 25.49207130 21.15300231 -11.65086695 73.91273296 -80.53794190 O 22.53848316 23.95774659 22.17411873 -27.59479953 -43.13126400 41.15023839 O 20.95789336 25.38825682 21.97220075 -56.06355544 74.10035958 54.42199143 O 24.19178619 24.17895518 21.29140871 -25.63272411 -56.67017904 -162.54426700 O 25.61455359 25.53253581 21.14904689 39.02645024 56.42218586 -55.37651060 O 25.28091226 24.40484120 22.46603997 112.04274634 -128.41056493 -24.18496092 O 23.80598025 25.32157598 22.51361598 -14.84161546 120.99690358 51.76994220 O 20.85198705 20.97567541 23.83620898 -57.67922410 -28.68843789 10.75059787 O 22.31835629 22.27846858 23.85588087 9.65498687 33.29683353 11.55808922 O 22.39962354 20.84140700 25.31668137 1.18944096 -40.34350348 27.61878695 O 20.91986395 22.24396547 25.59073906 -26.67162484 7.86351837 25.96389052 O 24.27219963 20.93381326 24.13132919 -33.73589362 -41.56501559 28.27316822 O 25.75978669 22.22592512 23.78504734 84.32267192 94.79985723 100.47517960 O 25.68365717 20.94934360 25.58343331 22.01061750 -13.46572039 26.28522056 O 23.77778834 22.36811319 25.72094491 6.64456283 5.58570009 28.41231700 O 21.23171545 24.18190327 24.02253701 -55.07059123 -19.96328177 -36.99235295 O 22.71219253 25.42485375 24.12990665 -21.61314963 72.15028664 -28.46107067 O 22.28220450 24.28278197 25.56210000 80.42023529 -127.83556916 63.93789531 O 21.13362859 25.32702941 25.57034430 -128.20722763 121.91977988 35.67832983 O 24.04852473 24.05473499 23.91561068 -17.36026535 -31.83167087 23.50960009 O 25.63661615 25.40480033 23.58062463 69.42852111 127.23401142 116.92835953 O 25.29869006 24.11041876 25.26735611 60.49596670 -15.21129068 41.37567495 O 23.83533445 25.24148635 25.58611608 33.04555481 53.82259592 57.86192238