16 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=61.19847857463529 stress="-0.00211976490561964 -8.474839787627661e-05 -0.00022450503926213972 -8.474839787627661e-05 -0.0022272396465258287 -0.0003532944907190396 -0.00022450503926213972 -0.0003532944907190396 -0.0020807968559518" free_energy=61.19847857463529 pbc="F F F" Na 21.14618898 21.23454065 21.03480345 -9.22196988 -6.96658986 -8.30051826 Na 22.53310309 22.31305510 22.34472026 -6.46076804 3.31868205 9.69788461 Na 23.96070040 20.99928290 21.23956773 4.98481922 -12.54705991 -10.86551692 Na 25.22557373 22.40977949 22.64408857 19.02950803 -6.74460328 -5.29107534 Na 20.97537525 24.18829954 20.79590009 -6.99136408 0.98967701 -4.52906658 Na 22.66265408 25.45874788 22.26199853 -5.22132421 14.81722912 5.11898601 Na 23.73417086 23.94170993 21.18168807 8.18896679 0.32774572 -17.32409727 Na 25.64109445 25.53839703 22.65112554 6.65258702 6.23736447 -4.26213768 Na 20.72340307 21.11951579 23.96781377 -4.70942652 -3.59245370 2.19707164 Na 22.63443557 22.56717778 25.44125040 -4.27447326 -3.48918714 8.37558739 Na 24.04603703 20.77927999 24.27544140 0.89271187 -10.95540459 2.39043110 Na 25.25162633 22.92004951 25.55210001 9.51238409 -3.53896557 11.36031290 Na 20.96864501 24.26112978 24.28556838 -11.98034469 -2.19452037 -7.09114137 Na 22.29364328 25.23594820 25.67858111 5.25547690 9.27143539 9.18328118 Na 24.25973576 23.84376228 23.76820562 -7.47144464 10.57826275 5.29696048 Na 25.45203735 25.76111147 25.43267634 1.81466140 4.48838791 4.04303810