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=607.1466493185355 stress="-0.03680061982203441 -9.058433662536456e-05 -0.004037723991957255 -9.058433662536456e-05 -0.038771902984373136 -0.0006669402062354234 -0.004037723991957255 -0.0006669402062354234 -0.034955110169977696" free_energy=607.1466493185355 pbc="F F F" Pd 20.91590371 20.77952095 21.03279808 -17.32390480 -5.47025489 -20.98550166 Pd 22.99956209 22.22255314 21.12126556 -154.08549813 234.20627711 -15.77935301 Pd 22.32300782 20.93739706 22.51821382 82.13763691 -56.27346305 -82.16612321 Pd 20.70575425 22.46963223 22.65586213 -64.68067563 -114.89417239 -185.19233957 Pd 23.90395547 20.83226600 20.94505842 154.23502816 -236.48152086 -38.30210076 Pd 25.47299706 22.64123789 21.24843919 66.60970803 -64.70679632 -77.29263020 Pd 25.64432661 20.88286591 22.74849743 86.45973423 -47.03409376 -78.78562585 Pd 24.25911890 22.69019325 22.69877714 -334.01707428 42.92406782 -284.80145623 Pd 21.10881314 24.13250256 21.10031152 -96.28163309 -44.12566715 -67.99759629 Pd 22.59973061 25.35431870 20.78011711 14.00855271 74.47330458 -51.40421380 Pd 22.58778134 24.05791531 22.23387496 47.77480485 -51.11291779 52.08975192 Pd 21.08501927 25.56603388 22.50693356 -94.85442658 66.38068712 -69.77602892 Pd 24.29095043 24.22580078 20.92866320 -108.27147944 -52.47221349 -145.48745582 Pd 25.68883157 25.49955875 21.04313966 84.64936949 135.08550634 -106.99151886 Pd 25.44832183 24.25980354 22.30667951 326.15909612 -234.49245496 127.05379563 Pd 24.27143892 25.40295338 22.50240045 -224.42939162 380.96134087 -82.03360221 Pd 21.24759167 21.11018303 23.92518197 -206.51548177 -214.67681771 122.48095407 Pd 22.24663523 22.48702489 23.86670530 191.72261307 135.47591239 -30.93421669 Pd 22.68843096 21.17061300 25.49291821 -170.72858030 -203.93373941 -10.54150332 Pd 20.96863002 22.44630638 25.53851086 -89.06120310 -47.76698748 47.44353120 Pd 24.14982991 20.74795387 23.82929456 -79.05573414 -46.95927137 47.67222941 Pd 25.28747849 22.39476746 23.87993804 312.55224375 -29.02496658 359.52780064 Pd 25.53390402 21.00336062 25.72859936 16.26986970 -13.26112075 6.79263554 Pd 23.87675974 22.32230465 25.73744335 167.99704140 167.36411231 53.37156190 Pd 20.75346517 23.76772449 23.77715687 -55.50388765 151.82340856 108.36109508 Pd 22.24014891 25.21552060 23.82743118 88.16568389 28.51793623 98.68849866 Pd 22.29546282 23.70940621 25.31966901 71.71681820 88.97708594 56.46068558 Pd 20.74186328 25.18513934 25.32988571 -22.25631564 23.12141384 25.75523049 Pd 24.23010044 24.33905966 23.83685315 -120.76452864 -177.40775226 164.67843751 Pd 25.53771254 25.44245401 24.35709826 134.04304846 94.89947780 4.81680473 Pd 25.29301824 23.77048024 25.57255377 33.17836603 -4.32575493 33.19133533 Pd 24.08926979 25.57216580 25.66420574 -39.84980016 20.20943424 40.08691870