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=828.4978784411092 stress="-0.02205911342652218 0.0002936350846667776 -0.002220881251823457 0.0002936350846667776 -0.021782722523940035 -0.00116266884362122 -0.002220881251823457 -0.00116266884362122 -0.021775401078730258" free_energy=828.4978784411092 pbc="F F F" O 20.85540510 21.11115480 21.11044915 -15.57308446 -67.49713615 -51.85370922 O 22.70960170 22.31143450 20.83833517 -22.38230039 18.24206106 -40.74130728 O 22.32198775 20.83509776 22.66640352 11.37048400 -32.97694418 -12.80578493 O 20.77812781 22.51878885 22.05164101 -29.72938994 49.23250190 40.17530097 O 23.84054841 20.95894820 21.20259391 16.97842538 -57.45010318 -19.38403232 O 25.56504129 22.11449487 20.86550211 27.93354803 2.91330262 -34.05231483 O 25.28802619 21.22277084 22.68584377 17.62988788 -122.73288983 -109.66706090 O 24.18362810 22.69581920 22.40244725 -81.86816388 -83.51680330 8.03242347 O 21.26959405 24.17626233 20.85402479 -50.53936580 0.68426002 -57.27431935 O 22.70996341 25.49207130 21.15300231 -27.08113334 74.52271141 -73.42552494 O 22.53848316 23.95774659 22.12030630 -26.47485892 -46.32661595 48.98718358 O 20.95789336 25.38825682 22.56916429 -29.59356388 36.48538349 -10.50189504 O 24.19178619 24.17895518 21.29140871 -17.96071861 -13.31447572 -160.12643696 O 25.61455359 25.53253581 21.14904689 28.38115015 29.04891879 -20.65003291 O 25.28091226 23.87900266 22.46603997 167.32277205 31.65237505 39.90965323 O 23.80598025 25.32157598 22.51361598 23.91587536 95.40180289 50.93589799 O 20.85198705 20.97567541 23.94420113 -53.48422518 -28.84693263 -3.54751049 O 22.29882101 22.27846858 24.05286963 16.04605330 33.89141037 -13.15215928 O 22.34126820 20.84140700 25.31668137 10.68444000 -48.20309824 35.25422892 O 20.91986395 22.24396547 25.59073906 -30.63602093 13.50641284 31.57285562 O 24.27219963 20.93381326 24.13132919 -35.78070949 -37.73679503 26.46347247 O 25.75978669 22.22592512 23.78504734 78.51255448 89.97589606 101.05539242 O 25.68365717 20.94934360 25.58343331 19.57832134 -11.28623192 24.02139034 O 23.77778834 22.36811319 25.72094491 7.36346439 5.22954961 27.17601277 O 21.23171545 24.18190327 24.02253701 -48.35141153 -36.18911927 -21.80020641 O 22.71219253 25.42485375 24.12990665 -17.10505841 68.78558779 -27.32827676 O 22.28220450 24.28278197 25.56210000 80.32723093 -126.37271368 61.47412597 O 21.13362859 25.32702941 25.57034430 -124.35568139 118.18656876 33.85887661 O 24.04852473 24.05473499 23.91561068 -19.91649902 -32.68030830 18.04146238 O 25.63661615 25.40480033 23.58062463 34.71449482 41.92513693 15.78271074 O 25.29869006 24.11041876 25.26735611 57.76975215 -15.78064453 38.78066212 O 23.83533445 25.24148635 25.58611608 32.30373091 51.22693231 54.78892200