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=-72.09540465232195 stress="4.0315062773626855e-05 0.000452371258331604 -0.00018462022368455295 0.000452371258331604 -0.0002569198794602158 0.0006166703301957923 -0.00018462022368455295 0.0006166703301957923 -0.0002897509893416512" free_energy=-72.09540465232195 pbc="F F F" U 20.96240232 20.91661558 20.91973134 3.73950052 3.86388959 1.86563808 N 22.79914498 22.99380917 22.35575729 -10.58150169 -12.94326950 6.38101372 U 23.89529004 20.93481762 20.94785050 -3.76533395 1.58745459 2.96441674 N 25.27870441 23.03342311 22.50997862 -1.08101534 -1.58869447 2.69345607 N 20.94627761 23.67307456 21.11122639 1.68600182 -2.26749915 3.75656580 U 22.72083292 25.28984966 22.48735431 -27.87822341 33.74142145 -35.47258610 N 23.77137246 24.11703721 21.39318841 9.26697355 8.31850341 -11.43292253 N 25.32825321 25.58071169 22.89589922 -6.17434861 -2.86976748 1.70557824 U 21.41831215 21.00236605 24.10913947 1.91978440 2.01272905 -1.65785173 N 22.44096410 22.78519401 25.59437435 -0.80433844 1.13249213 -2.95594477 U 24.02013685 21.23854596 23.69456421 0.94357611 3.81586988 0.87028883 N 25.28229695 22.50597311 25.68745344 -4.31925753 0.15973988 -5.46482727 U 21.02015752 23.87970777 24.09154634 -3.95200917 -5.47739418 -4.41442046 U 22.37871118 25.25213077 25.23125112 3.20361429 5.12758236 8.41301820 U 23.71824351 24.13616082 23.76429260 44.07752153 -32.00624820 37.09595854 N 25.35019747 25.52703460 25.56150322 -6.28094407 -2.60680935 -4.34738137