32 Lattice="42.0 0.0 0.0 0.0 42.0 0.0 0.0 0.0 42.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=26.178921776676333 stress="-0.004555806213205008 -0.00015868163032004934 -2.238059432254e-05 -0.00015868163032004934 -0.00451318249825247 9.021070781811645e-05 -2.238059432254e-05 9.021070781811645e-05 -0.004526546785951117" free_energy=26.178921776676333 pbc="F F F" Pd 21.11042859 21.20947124 20.85512851 -4.10647845 -3.58238679 -3.80168265 Pd 22.81516052 22.26171980 20.84655491 -7.06164608 -1.08962431 -10.81402402 Pd 22.58246590 20.82230844 22.62260891 -6.32944587 -14.12721566 -5.24516075 Pd 20.72286420 22.38826763 22.54800093 -9.30474543 -1.05371664 -3.59770008 Pd 24.31199242 21.05988540 20.70245745 -1.89021042 -9.42867492 -8.85765236 Pd 25.66431082 22.30468583 20.98844065 10.23388225 2.76534252 -9.30939046 Pd 25.53277713 20.89971974 22.23053335 8.45898713 -9.82674570 4.09572734 Pd 23.96097674 22.28219307 22.71813893 0.74551935 -7.50405301 -11.04933913 Pd 20.76716069 24.17074648 20.83096497 -4.69064637 -2.83973565 -3.33976190 Pd 22.38201197 25.43300593 20.72002482 2.40361800 5.34102385 -7.41968784 Pd 22.51819327 23.91661558 22.48713485 -10.21433301 6.50120580 -2.81346572 Pd 21.22586561 25.79391194 22.22614529 -4.44547295 6.88872293 1.97997397 Pd 23.83737493 23.77761356 21.18220204 1.71287191 4.27358745 -19.21839632 Pd 25.39362841 25.73573857 21.02724172 3.76469718 3.01628560 -4.60822129 Pd 25.27538150 23.70296332 22.34887301 21.13079253 3.75957905 -4.52367666 Pd 24.22083292 25.28984966 22.41269671 -3.04922326 17.55618812 1.11102897 Pd 20.92299150 20.90698366 24.16673385 -5.17093495 -6.45738682 1.45878073 Pd 22.32825321 22.63102478 23.91438356 -12.34655480 0.80678145 4.23724896 Pd 22.76120756 21.01193751 25.75226748 -5.06272661 -8.13221162 9.28185037 Pd 20.96431997 22.58772671 25.57236142 -5.80150865 0.64097631 6.03231616 Pd 23.92430867 21.23854596 23.96196170 4.66971566 -22.26943225 2.16618344 Pd 25.28229695 22.52031036 24.18745344 23.62078920 -5.84424690 4.49484323 Pd 25.52015752 20.87970777 25.77711528 3.13836747 -2.65315046 2.65960011 Pd 23.68594050 22.01385745 25.23125112 0.55438144 0.35164936 18.63808341 Pd 20.71824351 24.18948286 23.76429260 -9.64265906 2.32409340 1.54838047 Pd 22.51404691 25.71980528 24.29977655 -0.67938700 11.13781687 -9.44833737 Pd 22.68543805 24.18571631 25.57327937 -3.10986933 -6.45162533 12.29587000 Pd 21.19989723 25.62961200 25.37425859 -8.95524377 4.43739461 5.96045287 Pd 24.15720406 23.76564846 23.88507600 -2.27359538 12.60223557 7.42879351 Pd 25.79768454 25.48273691 23.85881688 5.71311024 6.89448608 0.44423588 Pd 25.67089611 23.97011124 25.20220318 8.62552554 3.17212252 11.65019085 Pd 23.71755886 25.35541431 25.39917148 9.36242351 8.79071457 8.56293626