32 Lattice="86.01379776000977 0.0 0.0 0.0 86.01379776000977 0.0 0.0 0.0 86.01379776000977" Properties=species:S:1:pos:R:3:forces:R:3 energy=-2.197135270474087 stress="-5.1301474753249055e-06 7.416646734016758e-07 -5.821439339676184e-07 7.416646734016758e-07 -5.399220958349417e-06 -6.400971966329619e-07 -5.821439339676184e-07 -6.400971966329619e-07 -5.7337067122350496e-06" free_energy=-2.197135270474087 pbc="F F F" Xe 42.91447962 43.09952788 43.09893984 -0.02864727 -0.03863400 -0.06137284 Xe 46.25348831 45.92168232 42.89383598 -0.03760328 0.10299313 -0.00904987 Xe 45.90240019 43.11843723 46.00659013 0.06676408 -0.05068620 0.04529097 Xe 42.87063485 46.09447760 45.93577399 -0.02231650 0.03953343 0.04058108 Xe 49.04806995 42.97268904 42.96444078 0.04030652 -0.05489309 0.00926657 Xe 52.26180926 45.83603643 43.06206900 0.01063527 0.05788437 -0.03670347 Xe 52.04601809 43.19254124 46.23369003 0.06558923 -0.22765911 -0.18195807 Xe 49.30376500 46.24200290 46.20119530 -0.14753223 -0.06398139 -0.03224592 Xe 43.23156059 49.29762685 42.88525287 -0.05190201 -0.06505133 -0.08277495 Xe 46.25378973 52.21605567 43.13440081 -0.04273314 0.05856619 -0.08196181 Xe 45.86374752 49.11553040 46.01092154 0.18936777 -0.05777850 -0.03218819 Xe 42.88918640 52.12954361 45.88750025 -0.01963731 0.08552569 0.01681768 Xe 49.31056340 49.29987090 43.24973947 -0.11396683 -0.12160132 -0.20973407 Xe 52.31640381 52.24977610 43.36599828 0.03412986 0.08216717 -0.05685149 Xe 52.04008981 49.23915236 46.05052021 0.21486240 -0.09314766 0.10577622 Xe 48.98905845 52.07397624 46.09016688 0.02282067 0.13881668 0.09697862 Xe 42.88355476 42.99497166 49.20349097 -0.04055328 -0.03765737 -0.06621254 Xe 46.02669891 45.89421071 49.13328130 0.04221131 0.08708252 -0.00949888 Xe 45.94654373 42.87473804 52.06989740 0.05757198 -0.04807175 0.03949946 Xe 43.02486984 45.86545812 52.19655685 -0.02718171 0.08238500 0.03408564 Xe 49.37757460 42.95243161 49.26018257 -0.11914898 -0.03151250 0.00723790 Xe 52.43915183 45.85042450 48.97161436 0.05018594 0.22073458 0.16235517 Xe 52.25486801 43.26799540 52.29219068 0.07361325 -0.05745303 0.04492999 Xe 49.15517930 45.91483944 52.33456605 -0.06651771 0.08495487 -0.00916241 Xe 43.19999509 49.30232764 48.87439981 -0.12663729 -0.07336238 0.14080839 Xe 46.25564734 52.16004105 49.25899712 -0.05062699 0.08765878 -0.08769790 Xe 45.89732398 49.38639322 52.27441293 0.10455992 -0.25496175 0.03613465 Xe 43.11825604 52.07852077 52.17496013 -0.14882804 0.14033654 0.01272563 Xe 49.19117885 49.19635407 49.08041715 -0.08489795 -0.08996844 0.04205034 Xe 52.18843341 52.14332987 48.97381378 0.02487729 0.07915202 0.02140506 Xe 52.05490464 49.24275721 52.02879301 0.07778048 -0.07251644 0.04844266 Xe 49.01352028 52.00723489 52.29442633 0.05345455 0.09114528 0.05302636