32 Lattice="7.509835835470852 0.0 0.0 0.0 7.509835835470852 0.0 0.0 0.0 7.509835835470852" Properties=species:S:1:pos:R:3:forces:R:3 energy=-107.70698312834588 stress="-0.008630095795003742 0.001761828502847577 -0.002018067231700693 0.001761828502847577 -0.009129571336023804 -0.0007878008955157469 -0.002018067231700693 -0.0007878008955157469 -0.009127836982775356" free_energy=-107.70698312834588 pbc="F F F" Pd 0.00290270 0.01813344 0.03264913 0.63135843 0.64155555 0.60696773 Pd 1.90169044 1.89364827 0.00967400 -0.38070917 -0.58944248 -0.83622310 Pd 1.87282614 0.03470549 1.89637620 -0.31338218 -1.09982928 -0.85702846 Pd 0.02174023 1.89760448 1.91258870 -1.11929032 -0.57702380 -0.71999510 Pd 3.74125973 0.01538840 0.01498268 0.30931094 0.14640574 0.14343583 Pd 5.65711221 1.90227481 0.01107828 -0.19349740 -0.37091396 0.03388416 Pd 5.62849461 0.02878171 1.87892466 -0.12716096 0.08610638 -0.17763233 Pd 3.77448712 1.88276256 1.88796934 0.36454122 -0.26992020 -0.44667282 Pd 0.03333695 3.74377481 0.01548018 -0.29671817 0.17403698 -0.19591450 Pd 1.87957835 5.59244693 0.02349100 -0.10501473 0.19589308 -0.11241717 Pd 1.84706747 3.72222428 1.85041123 0.26882392 0.90718758 0.40172312 Pd 0.00859318 5.65224018 1.81976967 0.18092945 -0.27905455 0.16094794 Pd 3.78575453 3.78177510 0.02616983 0.27240702 0.28613451 -0.84046509 Pd 5.66756879 5.63342243 0.00817905 -0.64545790 -0.59019223 0.63389334 Pd 5.63050581 3.74604220 1.83866319 0.83086517 0.71331021 0.02019593 Pd 3.74975863 5.64534965 1.89359816 0.41949882 0.53604523 -0.26441658 Pd 0.01614649 0.02982154 3.74028710 -0.11124846 -0.12287822 0.37714376 Pd 1.90431223 1.83739206 3.71918848 -0.33469846 0.39947591 1.02486125 Pd 1.85838205 0.00803479 5.64274006 -0.04241709 0.12975493 -0.12822972 Pd 0.03952381 1.86627909 5.65191120 0.05300699 -0.18660147 -0.10131412 Pd 3.72734876 0.00468020 3.75754005 0.79996445 -0.77438839 0.45310647 Pd 5.66053534 1.90874837 3.74687138 0.53903246 -0.55187379 0.35276684 Pd 5.62637683 0.02081620 5.60216363 -0.56771131 0.58896803 -0.58543361 Pd 3.77398901 1.89807272 5.61118192 0.29927049 -0.56155316 0.67531233 Pd 0.02875722 3.71880724 3.78679434 -0.61219178 0.75216067 0.28927025 Pd 1.85603489 5.66667591 3.76782303 -0.29792611 0.22441697 0.30476562 Pd 1.88804932 3.73311416 5.63790726 -0.20958702 0.60742170 0.49921873 Pd 0.02702185 5.61307634 5.65676881 0.61280990 -0.60843956 -0.61295781 Pd 3.76731378 3.77606974 3.75617057 0.14810540 0.52796728 0.28994040 Pd 5.65779628 5.64581334 3.74884430 -0.39777623 -0.37784923 0.24650417 Pd 5.64414614 3.72650231 5.62403537 -0.18695936 0.50852336 -0.15553173 Pd 3.75702024 5.66761399 5.64615228 0.21182199 -0.46540380 -0.47970573