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=180.287784382647 stress="-0.015540774935170525 0.0006105071405245408 -0.0009738243689323681 0.0006105071405245408 -0.01384773270998918 -0.0012203740216266171 -0.0009738243689323681 -0.0012203740216266171 -0.015443030524588747" free_energy=180.287784382647 pbc="F F F" W 20.88909689 21.11115480 21.11044915 -22.49426745 -23.05010948 -34.77712437 W 22.70960170 22.31143450 20.83833517 -20.82340198 36.39754163 -22.93496639 W 22.31428531 20.83509776 22.36371066 8.31921938 -23.45226506 22.78646209 W 20.77812781 22.51878885 22.32834452 -16.23152451 20.57791115 15.10658476 W 23.84054841 20.95894820 21.10842934 18.80342124 -46.28988005 -14.12432795 W 25.56504129 21.96425659 20.86550211 24.28819429 12.61308136 -26.44852473 W 25.28802619 21.22277084 22.68584377 10.58455238 -89.13821223 -76.51630897 W 24.18362810 22.69581920 22.34863482 -36.82458641 -33.83381353 12.92253993 W 21.26959405 24.17626233 20.85402479 -8.09445830 -44.30301117 -46.78287350 W 22.70996341 25.49207130 21.15300231 -8.95308743 35.35629259 -47.83100762 W 22.53848316 23.95774659 22.71726984 -0.09599212 -31.02569793 -41.82710754 W 20.95789336 25.38825682 22.04332575 -33.19512549 45.17368234 37.30890015 W 24.19178619 24.17895518 21.29140871 -41.86801669 -28.26005132 -125.86251937 W 25.61455359 25.53253581 21.14904689 22.05929861 28.60608741 -18.94148718 W 25.28091226 24.10609294 22.46603997 110.76128237 -19.19862899 39.04312400 W 23.80598025 25.32157598 22.51361598 14.88141310 85.16840661 37.09641639 W 20.85198705 20.97567541 24.06329927 -31.38823154 -21.02346756 -20.42541515 W 22.43745442 22.27846858 23.87541615 14.49747840 12.25518559 -0.86083023 W 22.34126820 20.84140700 25.31668137 14.56336229 -32.36217626 22.93221710 W 20.91986395 22.24396547 25.59073906 -16.19822689 22.60674704 20.65726330 W 24.27219963 20.93381326 24.13132919 -37.04339136 -29.89374782 13.49317381 W 25.75978669 22.22592512 23.78504734 54.02715381 77.77349186 66.81403562 W 25.68365717 21.06425382 25.58343331 17.97793923 -8.60868751 18.74609438 W 23.85420938 22.19455091 25.72094491 -0.53864682 17.43285225 16.76388024 W 21.23171545 24.18190327 23.80376929 -64.24097080 -10.11894355 19.90243882 W 22.71219253 25.42485375 24.12990665 -15.63608385 62.20102026 -22.36909054 W 22.28220450 24.28278197 25.56210000 50.29803714 -105.65984017 35.08606370 W 21.13362859 25.32702941 25.57034430 -88.93451063 78.30132684 15.38140076 W 24.04852473 24.05473499 23.91561068 -8.19479750 -40.26377503 23.38638652 W 25.63661615 25.40480033 23.79721369 23.98034689 38.54771113 6.09589845 W 25.29869006 24.11041876 25.26735611 41.87493170 -26.57325977 33.71527260 W 23.83533445 25.24148635 25.58611608 23.83868896 40.04422938 42.46343089