64 Lattice="70.0 0.0 0.0 0.0 70.0 0.0 0.0 0.0 70.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-19.05724153790011 stress="0.00019176182848075756 -1.0714399149172105e-05 8.81739642408865e-05 -1.0714399149172105e-05 0.00011326221013534287 7.423256756707982e-05 8.81739642408865e-05 7.423256756707982e-05 0.00016440965825587967" free_energy=-19.05724153790011 pbc="F F F" O 34.91051063 35.06418477 35.24971651 11.32343152 10.16203437 8.02271666 O 35.82992312 35.96549094 35.89579749 -12.36322042 -9.87126406 -8.52163116 O 37.71287658 37.47718060 35.46826160 2.15866203 3.25364381 -0.17556888 O 38.95341147 38.82618020 36.17344550 -1.52887372 -4.54823757 0.18513484 O 37.20384109 35.47434521 37.08910862 1.18958677 -2.40514801 2.10445555 O 38.49917292 35.55396156 38.31691485 -1.28841776 0.98530206 -1.77019366 O 34.90998370 37.49956330 37.37009617 0.65952092 2.03915973 1.76772563 O 35.76567701 38.94823237 38.37114302 -0.42542414 -0.28427395 -0.48413642 O 39.30893277 35.28730124 35.39589967 0.63778116 -0.86896625 -0.91933467 O 41.07902898 36.45881637 36.45055288 -0.61905485 -0.59350990 1.94231724 O 42.91539521 37.85304818 34.90629400 -0.05330535 11.81741897 12.44691928 O 42.91086975 38.81335248 36.00394716 1.56931100 -13.08728547 -13.66273809 O 42.52097969 35.28185564 37.34523737 -0.11503257 2.16729931 0.60663234 O 43.72022163 36.39623567 38.63561598 -0.91076289 -1.70555943 -1.64950071 O 39.46233894 37.28156831 37.35457399 1.74743465 0.49209028 -1.22866338 O 41.34194695 39.46353576 38.53017817 2.33030478 -1.01180685 2.11475269 O 35.31744857 39.09750151 35.43343987 -0.49590355 0.27783986 -1.04638355 O 35.91068129 41.60760404 36.79540089 -7.30147507 5.25862880 -0.30201189 O 37.25439459 42.73076030 34.71963622 2.16564820 0.76223847 1.57909518 O 38.55539633 43.09431753 36.19151616 -1.92951766 0.14222429 -3.25590101 O 37.04515173 40.20438499 37.57550802 -0.76703833 -1.46389935 2.09654120 O 38.86217793 41.23100549 38.12174141 -0.46276830 -0.72982014 0.10622672 O 34.83168652 42.36354409 37.00203356 5.86851910 -4.98605521 -0.64313521 O 37.01563135 43.28033457 38.35112862 0.83266949 1.09323142 3.18962155 O 40.29785791 40.31841281 34.94751650 4.61921191 3.07064506 3.76777531 O 41.17139371 40.88921942 35.75121598 -4.87525104 -2.16784655 -5.42591155 O 42.09109981 42.63457912 34.77013310 -0.31429007 -0.22234917 -0.39185426 O 43.83161510 43.33870500 36.49167571 0.50805063 0.31336860 0.17986174 O 42.71902450 40.24673192 37.32154724 -1.63317006 -0.19464945 2.23352393 O 43.95867654 41.52987339 39.33795022 -0.78485467 0.72701737 0.46304027 O 40.44332522 42.79863537 37.59929664 1.42209014 1.45629294 2.79406522 O 41.35969408 43.74182058 39.03871698 0.15713425 -2.01276791 -0.72608412 O 35.16230244 35.11944526 39.87647937 -0.16817261 -0.13427653 0.06236197 O 36.15801199 36.80365890 41.09018430 2.35345227 0.74840946 1.63145731 O 37.42903594 37.64534291 40.42916367 -1.25422769 -0.50355845 -0.03023474 O 38.65095341 39.08401109 41.34411349 -14.30099089 7.70419232 9.92233715 O 37.65369767 35.73347373 42.09592699 -1.46094386 0.19663724 -0.13377915 O 38.86025464 36.07464117 43.97251000 0.25518345 1.81894760 -1.93906509 O 35.24364830 37.89090109 42.55800575 8.24737166 2.71248876 5.95376619 O 36.30517182 38.43842517 43.49120044 -7.98497941 -3.81352442 -6.38373585 O 39.93450067 34.99880483 40.39927955 2.00430963 0.95308173 2.04093193 O 40.87579799 36.09963249 41.67722334 0.00198608 -1.61445048 -0.21089087 O 42.24415466 38.16043866 39.65983348 -0.19454478 1.57051970 -1.21053339 O 43.93846548 38.37867497 41.01090826 -0.30724810 -0.37275826 -0.85961091 O 42.13502773 35.37743859 42.77517121 -0.90961092 0.43553375 -1.05282700 O 43.91161316 35.88512086 43.78508809 -0.73806174 -0.15085996 -0.49347378 O 39.24912877 37.32133615 42.56339996 0.52524852 -2.73200267 2.26090204 O 41.64967763 38.37264946 44.09821128 -0.19798256 -0.28276458 0.81616268 O 34.89531244 39.29813592 40.28779497 -0.01962878 0.28459624 -1.94670362 O 35.83604388 42.01652153 41.33683335 -1.23865187 1.13452474 2.36665644 O 37.44774168 43.17835028 40.01227964 -1.30626897 -0.08759342 -2.49981462 O 38.75842636 43.55316002 41.54763519 12.26288772 -11.24630435 6.40892571 O 37.63920620 39.73960379 42.11367604 13.49127774 -7.97455996 -9.75680726 O 38.59981695 42.09714948 43.75410435 0.87094105 0.06691808 -0.83544813 O 34.96545013 42.49666566 42.82894161 0.81453702 0.36269056 -0.31023076 O 35.50235059 43.63452557 44.00035530 -0.23535895 -1.31517753 -1.80600384 O 40.46366766 39.91741397 40.29368674 0.68799157 -0.06075672 -1.22074468 O 41.47025637 40.76725030 41.31538150 5.23716202 -4.72380806 5.63453595 O 42.46791497 42.69533077 40.20989132 2.57472309 1.57264955 -1.17718669 O 43.93120522 43.45029660 40.95021062 -2.30848776 -0.26646400 -0.77531986 O 42.24859303 39.96763961 42.11643570 -4.81331208 4.98900280 -4.72807741 O 43.52642022 40.53548696 43.63332148 -0.38176860 0.25947303 -0.64344906 O 39.67953345 42.56317802 42.05658407 -13.26560480 12.28271979 -4.77322618 O 41.17075493 43.38644747 43.65995829 0.43777645 0.32147798 0.29176871