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=1067.5592763637428 stress="-0.05746425456968601 0.0017419525946230608 -0.0005276379583348406 0.0017419525946230608 -0.05382059196803159 -0.0010076046981894516 -0.0005276379583348406 -0.0010076046981894516 -0.05687408376847987" free_energy=1067.5592763637428 pbc="F F F" W 20.85540510 21.11115480 21.11044915 -48.73960956 -73.06325932 -81.87746563 W 22.70960170 22.31143450 20.83833517 -64.37289899 85.33541747 -98.24198915 W 22.28829595 20.83509776 22.67410596 2.36250441 -122.71898932 -12.99424269 W 20.77812781 22.51878885 22.35433388 -70.00855521 21.41703607 23.42965259 W 23.60009055 20.95894820 21.20259391 94.84890282 -150.36979117 -54.84169204 W 25.56504129 22.17241380 20.86550211 33.14894612 21.30772552 -63.00386346 W 25.28802619 21.22277084 22.68584377 101.23843787 -231.70443371 -192.94561889 W 24.18362810 22.69581920 22.64685009 -65.57569380 -98.57472313 -93.65166843 W 21.26959405 24.17626233 20.85402479 -96.39258206 -115.17028314 -194.42532959 W 22.70996341 25.49207130 21.15300231 -44.92378589 254.01849806 -211.46472731 W 22.53848316 23.95774659 22.32435701 -99.29822546 -147.78896576 76.36133998 W 20.95789336 25.38825682 22.02601319 -149.09136339 178.41288143 69.88677942 W 23.89357091 24.17895518 21.29140871 112.67492587 -142.59929735 -342.76212280 W 25.61455359 25.53253581 21.14904689 59.15936149 72.51560937 -64.07593302 W 25.28091226 24.10609294 22.46603997 296.45871505 -48.44556268 -35.25656139 W 23.80598025 25.32157598 22.51361598 81.34516878 321.96642697 104.66042490 W 20.85198705 20.97567541 24.06329927 -122.27069958 -55.31791430 -28.49467943 W 22.73620268 22.27846858 23.76742400 -93.99922550 66.69326847 77.93214954 W 22.34126820 20.84140700 25.31668137 46.80615555 -98.36818635 79.36666236 W 20.91986395 22.24396547 25.59073906 -46.16415466 68.25541640 57.70545581 W 24.27219963 20.93381326 24.13132919 -87.28335676 -140.80114243 87.11395093 W 25.75978669 22.22592512 23.78504734 196.69200936 156.31869318 151.92039956 W 25.68365717 21.08378910 25.58343331 39.72262657 -22.53444610 72.37773319 W 23.65722062 22.50644989 25.72094491 26.46737121 5.91233357 66.07497099 W 21.23171545 24.18190327 23.56829135 -142.36419627 -44.05245571 106.70558272 W 22.71219253 25.42485375 24.12990665 -73.83680969 209.18108509 -78.60780363 W 22.28220450 24.28278197 25.56210000 17.32465613 -236.43445989 112.10310381 W 21.13362859 25.32702941 25.57034430 -189.38377307 149.38665495 51.87316260 W 24.04852473 24.05473499 23.91561068 -50.96698458 -90.24016216 106.97107343 W 25.63661615 25.40480033 23.85912935 100.33157791 147.67523283 13.49639946 W 25.29869006 24.11041876 25.26735611 154.70177431 -90.20051411 128.49854888 W 23.83533445 25.24148635 25.58611608 81.38878104 149.98830728 166.16630728