500 Lattice="20.908158989416854 0.0 0.0 0.0 20.908158989416854 0.0 0.0 0.0 20.908158989416854" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1002.698885929733 stress="1.2363586284052773e-05 0.00023601584348798048 -1.330695412609125e-05 0.00023601584348798048 -8.467706548699231e-05 0.0002158364351377893 -1.330695412609125e-05 0.0002158364351377893 -9.993283232431376e-05" free_energy=-1002.698885929733 pbc="F F F" Al 0.01270963 0.02458447 0.00469153 -0.28301025 -0.25151088 -0.21255463 Al 2.08778927 2.06481075 0.00654129 0.30621188 0.62598108 -0.55327654 Al 2.12494301 0.00410980 2.04986063 0.15526398 -0.45042943 0.68159245 Al 0.00068796 2.09473249 2.11783266 -0.42146660 0.33527253 0.31362257 Al 4.14070268 0.02033099 0.00425140 0.29034083 -0.38951723 -0.47367546 Al 6.30142933 2.11153938 0.03168822 -0.16922027 0.31013358 -0.57182410 Al 6.25383955 0.02746586 2.09339792 0.04813523 -0.47765996 0.20441031 Al 4.20806878 2.09953511 2.04984623 -0.14209830 0.65521942 0.66810270 Al 8.36044518 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