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=131.2828125163628 stress="-0.010240996006147165 0.0003655930273064905 -0.0005554598431952455 0.0003655930273064905 -0.010212635762682751 -0.0003106913813633387 -0.0005554598431952455 -0.0003106913813633387 -0.010468907484465727" free_energy=131.2828125163628 pbc="F F F" Pd 20.85540510 21.11115480 21.11044915 -11.96294880 -24.40731830 -27.89865995 Pd 22.74329349 22.33742386 20.83833517 -8.36481836 14.46058470 -21.36659734 Pd 22.01159245 20.83509776 22.60416852 12.31689884 -21.25022699 -0.26789024 Pd 20.77812781 22.42462428 22.08394168 -18.03189782 22.22473730 14.02244525 Pd 23.57857878 20.95894820 21.20259391 15.08056488 -28.24853883 -5.11278152 Pd 25.56504129 22.50740770 20.86550211 8.98432944 -4.59678051 -12.94861733 Pd 25.28802619 21.22277084 22.68584377 14.16792158 -47.32410395 -43.17397788 Pd 24.18362810 22.69581920 22.64685009 -31.92108009 -29.01265156 -2.77896717 Pd 21.26959405 24.17626233 20.85402479 -19.80456626 -9.26289357 -31.11374427 Pd 22.70996341 25.49207130 21.15300231 -7.26392630 35.65606990 -35.19372444 Pd 22.53848316 23.95774659 22.19143129 -15.74441664 -24.02038820 16.67949076 Pd 20.95789336 25.38825682 22.15131790 -19.97008111 21.14601359 9.23959156 Pd 24.19178619 24.17895518 21.29140871 -4.21019329 -11.91445880 -70.35461556 Pd 25.61455359 25.53253581 21.14904689 12.39191340 13.31265151 -8.26342249 Pd 25.28091226 23.96745953 22.46603997 70.54212967 11.13903638 14.43027892 Pd 23.80598025 25.32157598 22.51361598 13.00671227 53.38722081 20.71332501 Pd 20.85198705 20.97567541 24.12165461 -32.57372428 -18.32150764 -4.10947114 Pd 22.18391079 22.27846858 23.97644859 12.78163800 16.94821501 -6.90780508 Pd 22.26128685 20.84140700 25.31668137 10.39007247 -24.99511427 18.10743258 Pd 20.91986395 22.24396547 25.59073906 -15.05859829 11.11963744 17.62594623 Pd 24.27219963 20.93381326 24.13132919 -16.96922336 -20.35259661 13.94455757 Pd 25.75978669 22.22592512 23.78504734 37.73069716 28.89056968 31.83666679 Pd 25.68365717 21.40358926 25.58343331 6.01394322 -3.85641530 13.22521648 Pd 23.49928362 22.34894620 25.72094491 7.74346951 4.30313149 12.65550066 Pd 21.23171545 24.18190327 23.81977045 -23.90480513 -7.67600002 -3.85697743 Pd 22.71219253 25.42485375 24.12990665 -10.36344792 36.16471021 -12.79350105 Pd 22.28220450 24.28278197 25.56210000 13.00026565 -42.32587833 26.22084889 Pd 21.13362859 25.32702941 25.57034430 -39.97576263 34.16232183 12.41661912 Pd 24.04852473 24.05473499 23.91561068 -10.98583054 -14.44588998 17.31763479 Pd 25.63661615 25.40480033 24.15906743 17.10754636 24.94129860 -8.72108450 Pd 25.29869006 24.11041876 25.26735611 22.99682387 -20.21904287 27.80770845 Pd 23.83533445 25.24148635 25.58611608 12.85039449 24.37360727 28.61857432