32 Lattice="7.509836070665187 0.0 0.0 0.0 7.509836070665187 0.0 0.0 0.0 7.509836070665187" Properties=species:S:1:pos:R:3:forces:R:3 energy=-107.65927490888677 stress="-0.012262370460813325 0.0002123758911548868 -0.00043418033866463436 0.0002123758911548868 -0.011794645375379557 -0.0007728778337823539 -0.00043418033866463436 -0.0007728778337823539 -0.011881813297391594" free_energy=-107.65927490888677 pbc="F F F" Pd 0.00133563 0.00318608 0.03720943 0.48330368 0.45511816 0.47995297 Pd 1.86260201 1.84958420 0.02775710 -0.35898933 -0.07448021 -1.04980438 Pd 1.90407244 0.03717266 1.87445336 -0.33945466 -1.10652057 -0.16099063 Pd 0.02293329 1.85965281 1.89887154 -1.19007933 -0.25445270 -0.68678947 Pd 3.74502634 0.04561027 0.02322559 0.37867028 -0.14909198 -0.08400210 Pd 5.64536197 1.84485620 0.00336691 -0.08445657 -0.06511457 0.04351074 Pd 5.63820776 0.04284273 1.91357826 -0.03023103 -0.02904132 -0.25490269 Pd 3.78000309 1.90306774 1.87900278 0.13847265 -0.63545717 -0.24938626 Pd 0.01974626 3.78966698 0.01099101 -0.04065999 -0.06991255 -0.00574315 Pd 1.89345437 5.60571685 0.03593116 -0.19085698 0.20542085 -0.27168607 Pd 1.87726838 3.72445595 1.85637051 -0.13409506 0.65858871 0.00729508 Pd 0.05250987 5.59801053 1.88761129 -0.17947100 0.13916216 -0.07374694 Pd 3.74713335 3.74827091 0.01394190 0.59460306 0.43223967 -0.85645237 Pd 5.64950291 5.65073132 0.00166019 -0.80220049 -0.77197137 0.77899123 Pd 5.61229095 3.72955098 1.84950129 0.80330298 0.90793419 -0.24597736 Pd 3.72853610 5.65980498 1.87196887 0.73436373 0.37248974 -0.18166788 Pd 0.04480304 0.01943330 3.75694948 -0.02821533 -0.04933836 0.36204590 Pd 1.85323425 1.89662973 3.72314375 0.30853327 -0.65397929 0.97891603 Pd 1.88242793 0.03021492 5.65389519 -0.18634243 0.17904431 -0.22296711 Pd 0.01944409 1.90202895 5.66758531 0.12797064 -0.30391256 -0.18299147 Pd 3.76964215 0.00898338 3.76746464 0.24302009 -0.55880951 0.43535741 Pd 5.62007214 1.90011954 3.77253461 0.84137282 -0.46971950 0.42597363 Pd 5.64163711 0.02115787 5.66806962 -0.61003782 0.59811714 -0.64340612 Pd 3.77362533 1.85266700 5.65237507 0.21997494 -0.21732686 0.54532659 Pd 0.01959761 3.71916702 3.75117169 -0.82499692 0.75528885 0.54325600 Pd 1.87801538 5.65413405 3.77452144 -0.26777804 0.36970654 0.40493434 Pd 1.88102652 3.74074600 5.62587845 -0.21635370 0.55403861 0.68812500 Pd 0.03071419 5.63293144 5.64265549 0.62401064 -0.65771248 -0.64410652 Pd 3.73983798 3.73368307 3.74939586 0.47988258 0.88087140 0.53140056 Pd 5.62745652 5.64710740 3.75522020 -0.41476388 -0.45007994 0.17337270 Pd 5.64453424 3.72941876 5.62904947 -0.31498633 0.44049377 -0.21278023 Pd 3.76567150 5.66019373 5.63189182 0.23648753 -0.43159315 -0.37105742