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=51.50444709122851 stress="-0.002208033129911309 -0.00016949983202490087 -0.0001952618218558091 -0.00016949983202490087 -0.0017894493935323977 -0.00019998620171595753 -0.0001952618218558091 -0.00019998620171595753 -0.0018409850069332468" free_energy=51.50444709122851 pbc="F F F" Na 21.23956773 20.72557373 20.90977949 -5.47689522 -2.34590812 -1.83453137 Na 22.64408857 22.47537525 22.70902946 -10.08271626 2.88219051 -2.14048162 Na 23.79590009 21.16265408 20.95874788 3.38217572 -5.53282897 -9.95990139 Na 25.54052745 22.23417086 22.44170993 13.25995996 2.39593274 -4.42794100 Na 21.18168807 24.14109445 21.03839703 -8.35182997 -1.21696937 -6.69289271 Na 22.62997262 25.22340307 22.61951579 -3.82560690 12.71578513 2.78554341 Na 23.96781377 24.26658939 21.06717778 2.61672278 -5.42711544 -13.90090589 Na 25.44125040 25.72475079 21.98963017 8.32309902 7.11051698 2.08704228 Na 21.27544140 20.75162633 24.32071803 -5.99158541 -5.47148371 0.36700973 Na 22.42899327 22.58584347 25.76147517 -0.31738456 -1.54600071 9.17455456 Na 24.00736779 21.00505582 23.73594820 2.65373839 -14.87273816 8.06143668 Na 25.67858111 22.58352372 25.34376228 8.91443777 -4.57648173 8.32363857 Na 20.76820562 24.22884422 24.36078185 -10.19077627 -1.12205032 -0.52310471 Na 22.72232616 25.47927008 25.22147108 -1.54839018 9.19270796 8.45807490 Na 24.19376970 23.82128623 24.20081007 1.75983167 3.37404167 -2.26004666 Na 25.49965461 25.77820060 25.28858747 4.87521945 4.44040157 2.48250522