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=162.098178066816 stress="-0.0036529455734433465 -0.0001533031778964904 -0.00019508473733276824 -0.0001533031778964904 -0.0032963380396084517 -0.00030550186522444706 -0.00019508473733276824 -0.00030550186522444706 -0.003494571725352155" free_energy=162.098178066816 pbc="F F F" Ba 20.85540510 21.11115480 21.11044915 -10.55020032 -7.69104630 -8.96252194 Ba 22.70960170 22.16342156 22.33833517 -6.36416847 1.86805234 -3.19896332 Ba 23.78829595 20.83509776 21.14041416 6.66299392 -15.39619738 -15.89510242 Ba 25.27812781 22.49446427 22.32834452 20.47523381 -1.11304977 -5.63891330 Ba 20.87679405 23.95894820 21.20259391 -13.08275459 3.54469937 -9.38800062 Ba 22.56504129 25.20865944 22.42880138 -8.85339640 22.33060715 -2.09470611 Ba 23.78802619 24.22277084 21.18584377 8.66797399 3.05269459 -22.24943552 Ba 25.68362810 25.69581920 22.64685009 9.71382009 8.44555619 -3.64498813 Ba 21.26959405 21.17626233 23.85402479 -14.15443807 -11.16931348 7.61776212 Ba 22.70996341 22.49207130 25.65300231 -4.19476876 -5.46185288 18.06358339 Ba 24.03848316 20.95774659 23.91852158 5.34477280 -19.35762677 6.74608079 Ba 25.45789336 22.38825682 25.27041603 13.58001416 -3.13321994 10.28473842 Ba 21.19178619 24.11640960 24.29140871 -19.45933457 2.23489935 3.61473675 Ba 22.61455359 25.53253581 25.64904689 -4.47881347 12.72452460 12.12096951 Ba 23.78091226 24.10609294 23.96603997 6.75671377 1.93318010 3.68308210 Ba 25.30598025 25.32157598 25.51361598 9.93635212 7.18809283 8.94167828