32 Lattice="7.4020459163598815 0.0 0.0 0.0 7.4020459163598815 0.0 0.0 0.0 7.4020459163598815" Properties=species:S:1:pos:R:3:forces:R:3 energy=-94.26774969493914 stress="-0.01014179162769827 0.0004913705263727528 6.370885204372265e-05 0.0004913705263727528 -0.01113526051287936 0.000755647660931531 6.370885204372265e-05 0.000755647660931531 -0.010923049300961505" free_energy=-94.26774969493914 pbc="F F F" Pd 0.01598734 0.00303274 0.00057455 0.48075721 0.54313311 0.47151502 Pd 1.85534962 1.85530609 0.01204765 -0.19973129 -0.39093000 -1.12370898 Pd 1.80996444 0.02204195 1.81034547 0.12973073 -0.99384819 0.09353669 Pd 0.00722687 1.81423621 1.86856207 -1.06384306 0.06343337 -0.38231017 Pd 3.69189790 0.00335130 0.02973050 0.15136101 0.26211206 0.19904820 Pd 5.56290094 1.87040276 0.00040611 -0.37799880 -0.13055814 0.22666915 Pd 5.54212939 0.02638849 1.86422823 -0.12644824 0.19476364 -0.19624409 Pd 3.68129517 1.87790889 1.87264084 0.53168813 -0.75932921 -0.85324480 Pd 0.06033093 3.68834571 0.00375953 -0.07967766 0.09654710 -0.02147010 Pd 1.85157954 5.58655362 0.00107222 0.00625696 -0.23398501 0.29415021 Pd 1.81620379 3.67922680 1.83161824 -0.11469005 0.75991620 -0.10969191 Pd 0.00815329 5.51315037 1.84130458 0.13480667 0.02241268 -0.05105562 Pd 3.66778967 3.72019571 0.01914949 0.38032668 0.19864912 -0.92760298 Pd 5.51556672 5.52231870 0.00736408 -0.53111167 -0.54403239 0.54828997 Pd 5.57770590 3.66413713 1.82381718 0.82082442 0.56250681 -0.20323112 Pd 3.70919800 5.53646801 1.87206487 0.22360148 0.79040453 -0.32333003 Pd 0.01169157 0.05964695 3.67711138 0.11927441 0.00984064 0.33674292 Pd 1.86784805 1.87580369 3.72619981 -0.58848134 -0.70608774 0.32087578 Pd 1.85835560 0.00451016 5.54306476 -0.11212507 0.20272173 -0.23676862 Pd 0.01411534 1.89050712 5.57753510 0.26509320 -0.09678150 -0.28563904 Pd 3.73517760 0.02702297 3.69524971 -0.07655590 -0.95332653 0.18369706 Pd 5.54469351 1.87718607 3.67490064 1.07761908 -0.39307463 0.51966934 Pd 5.51769837 0.02972634 5.54275277 -0.47490958 0.53252122 -0.53482575 Pd 3.68557343 1.82633028 5.57085980 0.45141792 -0.00789231 0.82483650 Pd 0.01535666 3.71663865 3.68530670 -0.92885390 0.16641684 0.41330526 Pd 1.87134944 5.56384418 3.69756288 -0.24411849 0.73124240 0.17340110 Pd 1.88220559 3.71296098 5.52000945 -0.39727316 0.29829649 1.01390219 Pd 0.01561362 5.55962824 5.52249718 0.61770732 -0.61282482 -0.57976208 Pd 3.72810244 3.67320722 3.67502175 0.30834424 0.88879650 0.69803477 Pd 5.53552179 5.56067351 3.72823377 -0.23531315 -0.27485324 -0.04063443 Pd 5.58331362 3.72038886 5.51735370 -0.34698207 -0.03592448 -0.15221298 Pd 3.67782914 5.52743154 5.57720354 0.19930399 -0.19026626 -0.29594145