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=840.928764856622 stress="-0.03754307176063255 0.00027625588117631187 -0.0012289111756027438 0.00027625588117631187 -0.03509035186615072 0.00031353884786694997 -0.0012289111756027438 0.00031353884786694997 -0.03777741282869485" free_energy=840.928764856622 pbc="F F F" W 20.85540510 21.11115480 21.11044915 -39.51671464 -60.22912552 -71.57773560 W 22.70960170 22.31143450 20.83833517 -32.76422881 41.67273917 -41.78943548 W 22.28829595 20.83509776 22.64041416 41.13465330 -75.86537899 -29.54396382 W 20.77812781 22.51878885 22.32834452 -46.67419132 22.17412025 18.46603127 W 23.91048585 20.95894820 21.20259391 0.99659862 -93.26100322 -43.16169967 W 25.56504129 22.20865944 20.86550211 46.95589037 37.52499163 -54.90279793 W 25.28802619 21.22277084 22.68584377 80.98641059 -138.63839797 -76.49795504 W 24.18362810 22.69581920 22.64685009 -73.88693424 -75.75589847 -28.86335036 W 21.26959405 24.17626233 20.85402479 -67.24383064 -59.92301121 -114.90684152 W 22.73595276 25.49207130 21.15300231 -27.44939647 154.04747574 -123.71546985 W 22.53848316 23.95774659 22.41852158 -37.15433938 -103.55916926 28.12898607 W 20.95789336 25.38825682 22.27041603 -84.80902527 122.81265006 9.92788359 W 23.91508268 24.17895518 21.29140871 39.06779117 -79.48793605 -199.46708378 W 25.61455359 25.53253581 21.14904689 43.78545207 63.43102440 -51.65591107 W 25.28091226 24.10609294 22.42979433 187.12942866 -35.19684823 11.47796129 W 23.80598025 25.32157598 22.51361598 56.17921058 195.73111272 53.38511487 W 20.85198705 20.97567541 24.06329927 -123.09779450 -65.82541730 -36.24625858 W 22.43745442 22.27846858 23.90034971 22.18330857 89.67050491 -6.56684627 W 22.34126820 20.84140700 25.31668137 42.46611875 -118.97812392 70.97349900 W 20.91986395 22.24396547 25.59073906 -52.77732505 72.71685803 62.83358911 W 24.27219963 20.93381326 24.13132919 -93.41292454 -79.17261731 32.60175228 W 25.75978669 22.22592512 23.78504734 129.02540699 116.16758057 70.70464628 W 25.68365717 21.20288723 25.58343331 34.82863650 -16.64680781 75.32096416 W 23.55145119 22.44809454 25.72094491 51.10348294 31.80350181 48.34201710 W 21.23171545 24.18190327 23.52361970 -96.06514731 -42.92918922 105.93988394 W 22.71219253 25.42485375 24.12990665 -41.84338630 143.50156017 -46.84326993 W 22.28220450 24.28278197 25.56210000 6.18783816 -146.73736484 65.63081779 W 21.13362859 25.32702941 25.57034430 -118.58691141 86.59457852 29.37817274 W 24.04852473 24.05473499 23.91561068 -40.24137925 -90.16664105 65.25276996 W 25.63661615 25.40480033 24.17594331 63.85832707 107.03994812 -40.24651983 W 25.29869006 24.11041876 25.26735611 89.81057020 -103.88357843 100.49724887 W 23.83533445 25.24148635 25.58611608 39.82440459 101.36786269 117.12380039