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=491.3499920652013 stress="-0.013567908058221395 -0.0006726149482995334 -0.0010738682104563073 -0.0006726149482995334 -0.01316506590806227 -0.00039153967783546207 -0.0010738682104563073 -0.00039153967783546207 -0.014102242433134888" free_energy=491.3499920652013 pbc="F F F" Rb 20.99640474 21.06224969 20.84915582 -39.51349064 -32.67735971 -30.76211960 Rb 22.48058377 22.26986142 22.63236414 -6.46957460 36.48889625 -48.22226871 Rb 23.73944939 21.01619234 20.80772007 18.48263003 -42.37525506 -51.95915191 Rb 25.53790681 22.23395044 22.27756386 73.00836769 -13.60889792 -9.24187826 Rb 21.07493195 23.83201051 21.23295849 -38.90830811 26.20088683 -53.19764722 Rb 22.60637032 25.79740101 22.45448613 -24.06519389 56.28906786 -15.20947235 Rb 24.12541176 24.03531003 20.80522007 -3.41333048 2.27466519 -71.24914130 Rb 25.28391760 25.34426700 22.51400128 76.32670786 67.84668937 -18.94600045 Rb 21.17230680 21.12659488 24.04311643 -84.47076966 -85.69127557 16.76499777 Rb 22.09117087 22.63311255 25.50743936 11.16931985 13.14211271 91.71009404 Rb 23.80175050 21.07094765 23.84738753 52.04216435 -89.25165424 46.41405469 Rb 25.38529253 22.47076775 25.65075815 30.16891066 -15.73148605 36.24347726 Rb 20.76410200 23.96545771 23.84107598 -63.00327000 35.08825561 13.44141568 Rb 22.60260142 25.68947213 25.35847550 -22.03067148 32.52189984 32.60650244 Rb 24.13185401 23.97839446 23.83058461 -10.07225623 -14.28399888 34.51243907 Rb 25.36537308 25.52278034 25.68407183 30.74876466 23.76745378 27.09469886