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=12.549020193418919 stress="-0.001488746899198369 0.00026020323049573207 0.00011611317475243181 0.00026020323049573207 -0.0012014112749805423 -0.00021012373656629916 0.00011611317475243181 -0.00021012373656629916 -0.0013066279907897839" free_energy=12.549020193418919 pbc="F F F" Cd 20.85540510 20.96314185 21.11044915 -1.93859068 -1.52019755 -1.72329385 Cd 22.70960170 22.31143450 22.31401058 -6.73556139 7.19824269 1.31748481 Cd 23.78829595 20.83509776 21.14041416 4.99654145 -10.03554545 -8.23111376 Cd 25.27812781 22.58208812 22.26579894 7.77598009 -1.48137098 1.52142818 Cd 20.87679405 23.73741677 21.20259391 -4.55051199 0.11451553 -2.51479988 Cd 22.56504129 25.20865944 22.36550211 -15.62893079 19.50914833 6.49949132 Cd 23.78802619 24.22277084 21.18584377 13.25355056 -5.63904642 -19.58040946 Cd 25.67814238 25.53708740 22.48825709 1.99788984 1.17253851 0.61525369 Cd 21.26959405 21.17626233 23.85402479 -7.84447977 -4.12021623 2.22331907 Cd 22.52664478 22.41193524 25.65300231 0.09159189 1.09593127 6.11825073 Cd 23.78244863 20.95774659 24.00926064 5.70656342 -6.26276819 2.53258041 Cd 25.45789336 22.66045644 25.27041603 2.77493638 -1.02928609 2.02008506 Cd 21.19178619 24.17895518 24.22522197 -6.97813292 -1.57663814 0.10214820 Cd 22.74588278 25.53253581 25.64904689 -2.27908519 4.67197221 5.59390159 Cd 23.78091226 24.10609294 23.96603997 6.10885278 -3.18815387 2.82264678 Cd 25.30598025 25.58136267 25.51361598 3.24938632 1.09087438 0.68302712