32 Lattice="7.402047328188098 0.0 0.0 0.0 7.402047328188098 0.0 0.0 0.0 7.402047328188098" Properties=species:S:1:pos:R:3:forces:R:3 energy=-94.1818351331107 stress="-0.014781897922906679 -0.000419931229431252 -0.0011824471077662678 -0.000419931229431252 -0.014643789695012493 -0.0017126212121221073 -0.0011824471077662678 -0.0017126212121221073 -0.01449264838575258" free_energy=-94.1818351331107 pbc="F F F" Pd 0.01050324 0.00373745 0.03016416 0.40811488 0.46667657 0.40172671 Pd 1.85880460 1.81746603 0.00342137 -0.14253241 -0.15829812 -1.15941881 Pd 1.80564085 0.03451433 1.83354194 0.17258695 -1.32863015 -0.24908041 Pd 0.03533270 1.84983737 1.83262452 -1.23742889 -0.00133080 -0.14099817 Pd 3.77234761 0.01632304 0.00373660 -0.11859478 0.24780544 0.25046942 Pd 5.55569506 1.88370463 0.01024816 -0.18240412 -0.14502104 0.30078218 Pd 5.51727460 0.00248924 1.87699834 0.04819942 0.06650108 -0.31322329 Pd 3.66815549 1.85216292 1.88626809 0.89502987 -0.44680974 -0.85797253 Pd 0.03833382 3.73756751 0.04060016 0.09062798 0.03088344 -0.03687659 Pd 1.91677906 5.57434902 0.02170125 -0.13210324 -0.14415011 0.08140364 Pd 1.87546268 3.68333140 1.80358719 -0.57778749 0.71714801 0.08585471 Pd 0.03409263 5.57114424 1.82707263 0.24537493 -0.23867070 0.05997261 Pd 3.71675884 3.67631597 0.01634426 0.31684570 0.39265528 -0.97832268 Pd 5.55793954 5.56207039 0.02512125 -0.67432566 -0.65085868 0.63815598 Pd 5.53492052 3.70874878 1.87309980 0.98773643 0.02135481 -0.46790161 Pd 3.69127827 5.55926661 1.87137276 0.31366341 0.89353330 -0.36705691 Pd 0.03498839 0.04549503 3.71539490 -0.09322954 -0.11289876 -0.01299746 Pd 1.86415847 1.84231643 3.67974973 -0.47952780 -0.07577707 0.66361036 Pd 1.84156202 0.01700183 5.55767734 0.02369989 -0.04350763 -0.12776799 Pd 0.03471580 1.81518908 5.53157681 0.00612551 0.12887566 0.01096921 Pd 3.71770955 0.02403621 3.68075788 -0.01760697 -1.27467114 0.45162347 Pd 5.56210992 1.77962522 3.69065671 0.85118691 0.25501965 0.46284343 Pd 5.53703364 0.02781544 5.58086049 -0.53967290 0.50086309 -0.55654583 Pd 3.66462609 1.78922957 5.56043811 0.51955767 0.19045176 0.76651798 Pd 0.01150909 3.70390151 3.71859307 -0.80853208 0.24415708 0.00143138 Pd 1.84778179 5.52219971 3.69460285 -0.24293928 0.84264741 0.30913719 Pd 1.84388967 3.67465162 5.53174220 -0.06018678 0.36871369 0.92112612 Pd 0.02708171 5.54318697 5.57638585 0.60409386 -0.60226670 -0.62106832 Pd 3.73362908 3.70886669 3.70500720 0.09049065 0.04722312 0.65991783 Pd 5.54718667 5.48814835 3.66877705 0.10101124 0.22040458 0.23182200 Pd 5.56560267 3.69625941 5.54020673 -0.29197580 -0.18130169 -0.21842038 Pd 3.73499985 5.54321631 5.53694398 -0.07549759 -0.23072164 -0.18971323