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=145.91353961266663 stress="-0.003870157957540122 0.0002336050047159137 -0.00016743150263339785 0.0002336050047159137 -0.0036036461082601936 -9.149105377940027e-05 -0.00016743150263339785 -9.149105377940027e-05 -0.004128317397682541" free_energy=145.91353961266663 pbc="F F F" Na 20.85540510 21.11115480 21.11044915 -4.48067646 -6.71474871 -7.76210773 Na 22.74329349 22.31143450 20.83833517 -5.63957019 12.85693491 -7.06325468 Na 22.28829595 20.83509776 22.66640352 2.63538992 -6.35730420 0.25929712 Na 20.77812781 22.51878885 22.32834452 -6.07443717 3.17965123 3.52403837 Na 23.60009055 20.95894820 21.20259391 8.67139758 -14.88333674 -2.43686287 Na 25.56504129 22.17241380 20.86550211 4.45439733 1.23176447 -6.67460756 Na 25.28802619 21.22277084 22.68584377 4.27504488 -19.14458205 -16.95840065 Na 24.18362810 22.69581920 22.55268552 -12.41043382 -4.40771794 1.19072123 Na 21.26959405 24.17626233 20.85402479 -6.79712657 -5.37428300 -14.01198383 Na 22.70996341 25.49207130 21.15300231 -2.04557888 11.36935068 -12.50658909 Na 22.29408032 23.95774659 22.41852158 14.78827777 -11.09926644 -3.24951506 Na 20.95789336 25.38825682 22.27041603 -10.23049560 14.77140688 0.64908565 Na 24.19178619 24.17895518 21.29140871 -8.45442016 -9.60522132 -24.27460711 Na 25.61455359 25.53253581 21.14904689 6.97787690 8.15730489 -6.30965320 Na 25.28091226 24.10609294 22.46603997 22.40119609 -5.77484512 6.25494334 Na 23.80598025 25.32157598 22.51361598 0.05406106 16.29884512 9.10736536 Na 20.85198705 20.97567541 24.06329927 -11.44131936 -6.11962079 -3.42487706 Na 22.43745442 22.27846858 23.99451428 4.42648631 9.14427962 -4.28806829 Na 22.34126820 20.84140700 25.31668137 5.78088267 -9.69860174 8.16710191 Na 20.91986395 22.24396547 25.59073906 -6.45071349 6.37128372 6.75338698 Na 24.27219963 20.93381326 24.13132919 -9.00008195 -6.78777415 5.00627680 Na 25.75978669 22.22592512 23.78504734 13.35119548 16.27599876 12.39949200 Na 25.68365717 21.20288723 25.58343331 3.36580219 -1.72312056 7.36080647 Na 23.49763876 22.74684281 25.72094491 4.25060716 -3.24729113 4.77592543 Na 21.23171545 24.18190327 23.59474469 -13.51797747 -4.99625803 16.08898783 Na 22.71219253 25.42485375 24.12990665 -3.23806096 12.62533465 -6.92103488 Na 22.28220450 24.28278197 25.56210000 4.93709579 -18.64263027 6.46096321 Na 21.13362859 25.32702941 25.57034430 -19.31557549 15.46966175 3.75906592 Na 24.04852473 24.05473499 23.91561068 -6.54750700 -9.29270005 1.98811343 Na 25.63661615 25.40480033 23.75809691 7.56966750 10.75400858 2.91017689 Na 25.29869006 24.11041876 25.26735611 11.44873157 -5.85847504 8.29953456 Na 23.83533445 25.24148635 25.58611608 6.25586437 11.22195205 10.92627950