32 Lattice="6.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 6.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=828.497878441 stress="-14.29309733646099 0.19025945265308103 -1.4390094148964214 0.19025945265308103 -14.114011169345625 -0.7533457320169746 -1.4390094148964214 -0.7533457320169746 -14.109267273840693" pbc="F F F" O -0.14459490 0.11115480 0.11044915 -15.57308446 -67.49713615 -51.85370922 O 1.70960170 1.31143450 -0.16166483 -22.38230039 18.24206106 -40.74130728 O 1.32198775 -0.16490224 1.66640352 11.37048400 -32.97694418 -12.80578493 O -0.22187219 1.51878885 1.05164101 -29.72938994 49.23250190 40.17530097 O 2.84054841 -0.04105180 0.20259391 16.97842538 -57.45010318 -19.38403232 O 4.56504129 1.11449487 -0.13449789 27.93354803 2.91330262 -34.05231483 O 4.28802619 0.22277084 1.68584377 17.62988788 -122.73288983 -109.66706090 O 3.18362810 1.69581920 1.40244725 -81.86816388 -83.51680330 8.03242347 O 0.26959405 3.17626233 -0.14597521 -50.53936580 0.68426002 -57.27431935 O 1.70996341 4.49207130 0.15300231 -27.08113334 74.52271141 -73.42552494 O 1.53848316 2.95774659 1.12030630 -26.47485892 -46.32661595 48.98718358 O -0.04210664 4.38825682 1.56916429 -29.59356388 36.48538349 -10.50189504 O 3.19178619 3.17895518 0.29140871 -17.96071861 -13.31447572 -160.12643696 O 4.61455359 4.53253581 0.14904689 28.38115015 29.04891879 -20.65003291 O 4.28091226 2.87900266 1.46603997 167.32277205 31.65237505 39.90965323 O 2.80598025 4.32157598 1.51361598 23.91587536 95.40180289 50.93589799 O -0.14801295 -0.02432459 2.94420113 -53.48422518 -28.84693263 -3.54751049 O 1.29882101 1.27846858 3.05286963 16.04605330 33.89141037 -13.15215928 O 1.34126820 -0.15859300 4.31668137 10.68444000 -48.20309824 35.25422892 O -0.08013605 1.24396547 4.59073906 -30.63602093 13.50641284 31.57285562 O 3.27219963 -0.06618674 3.13132919 -35.78070949 -37.73679503 26.46347247 O 4.75978669 1.22592512 2.78504734 78.51255448 89.97589606 101.05539242 O 4.68365717 -0.05065640 4.58343331 19.57832134 -11.28623192 24.02139034 O 2.77778834 1.36811319 4.72094491 7.36346439 5.22954961 27.17601277 O 0.23171545 3.18190327 3.02253701 -48.35141153 -36.18911927 -21.80020641 O 1.71219253 4.42485375 3.12990665 -17.10505841 68.78558779 -27.32827676 O 1.28220450 3.28278197 4.56210000 80.32723093 -126.37271368 61.47412597 O 0.13362859 4.32702941 4.57034430 -124.35568139 118.18656876 33.85887661 O 3.04852473 3.05473499 2.91561068 -19.91649902 -32.68030830 18.04146238 O 4.63661615 4.40480033 2.58062463 34.71449482 41.92513693 15.78271074 O 4.29869006 3.11041876 4.26735611 57.76975215 -15.78064453 38.78066212 O 2.83533445 4.24148635 4.58611608 32.30373091 51.22693231 54.78892200