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=-88.50534222537468 stress="0.002258884167841946 0.00046878086201355415 -6.90699677954694e-05 0.00046878086201355415 0.002337101553141411 0.00021937449066925706 -6.90699677954694e-05 0.00021937449066925706 0.0024170252128921112" free_energy=-88.50534222537468 pbc="F F F" C 20.88909689 21.11115480 21.11044915 2.89645502 10.29573866 13.40885867 C 22.70960170 22.31143450 20.83833517 7.60983416 -8.80336775 0.57053301 C 22.28829595 20.83509776 22.64041416 -10.19334392 11.89060591 12.52718148 C 20.80411717 22.51878885 22.32834452 0.66524382 -10.99938839 -9.51521146 C 23.87679405 20.95894820 20.92589040 2.52825181 15.89306954 -0.95976502 C 25.52879565 22.11449487 20.86550211 -11.43167002 -11.98709078 8.85818666 C 25.28802619 21.22277084 22.44144092 -1.10631581 11.85007273 0.20418933 C 24.18362810 22.69581920 22.64685009 11.75009601 -5.33233133 2.69270890 C 21.26959405 24.17626233 20.85402479 5.39880826 8.85500872 7.88120704 C 22.70996341 25.49207130 21.15300231 -14.49400719 -3.71303876 6.04960983 C 22.53848316 23.95774659 22.41852158 -14.82038303 9.56895750 -5.48052211 C 20.95789336 25.38825682 21.97220075 9.39809044 -4.24879072 -8.45512183 C 24.19178619 24.17895518 21.59015697 -9.96102956 -3.71886095 -12.94918921 C 25.61455359 25.53253581 21.14904689 -3.81865280 -6.66259070 4.62636948 C 25.05382197 24.10609294 22.34694184 13.59661818 -0.75996860 7.07450009 C 23.80598025 25.32157598 22.51361598 -3.30552736 0.85673868 -3.02653851 C 20.85198705 20.97567541 24.06329927 23.40325176 11.31150572 10.41004627 C 22.43745442 22.27846858 23.85588087 -2.28910747 -20.89849083 5.41641476 C 22.34126820 20.84140700 25.31668137 -15.80975054 19.42115554 -12.70247223 C 20.91986395 22.24396547 25.59073906 8.79174333 -17.74459144 -12.15849608 C 24.27219963 20.93381326 24.18968454 14.83414782 16.49804765 13.50205652 C 25.75978669 22.22592512 23.78504734 -10.50220033 -9.21837485 -4.80631571 C 25.68365717 20.94934360 25.58343331 -9.81861628 -0.11347444 -9.69816749 C 23.77778834 22.36811319 25.42437450 -5.02480544 -13.57295064 -15.33502372 C 21.23171545 24.18190327 23.82183498 13.39828822 5.61371028 0.55063467 C 22.61304419 25.42485375 24.12990665 -5.78939485 -8.22127250 10.30124037 C 22.28220450 24.28278197 25.56210000 3.56978031 7.99734946 -6.89257749 C 21.13156406 25.32702941 25.58035622 1.41194862 -2.27741836 -1.51043915 C 24.04852473 24.05473499 23.90014408 11.28550646 -4.45518758 1.63510244 C 25.73831735 25.40480033 23.87719504 -0.36081575 -4.75355691 12.71711649 C 25.29869006 24.11041876 25.26735611 -8.55918071 14.00106316 -12.19271359 C 23.83533445 25.24148635 25.58611608 -3.25326316 -6.57227802 -2.74340240