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=4541.040755182786 stress="-0.07368974308688185 -0.02059804271916996 0.03151443637102061 -0.02059804271916996 -0.04703305687895213 0.017595933349706917 0.03151443637102061 0.017595933349706917 -0.039910540026932895" pbc="F F F" Hg 35.45841115 35.29639949 35.30092288 -1.01084525 -0.73335651 -1.95954931 Hg 36.37567251 35.94593841 37.11280735 -84.88020641 122.21861859 -42.51750599 Hg 36.91096888 37.41585853 35.02857083 0.07203833 0.12291103 0.07220531 Hg 39.18661941 39.21509289 35.78672704 -22066.89824032 -13814.87558190 13263.89767335 Hg 37.25168668 34.71025952 37.56120367 86.34395995 -122.40379577 44.22949477 Hg 38.80755783 36.24168230 38.46448586 -9.04924360 15.01691788 -21.94859938 Hg 35.00423187 37.63900615 37.65238743 -6.60396502 -8.55486440 -8.63938038 Hg 35.80564827 38.87441113 38.82988034 6.74413358 6.13398198 5.91741036 Hg 39.53479997 35.46055837 34.62121622 -0.04058260 0.04200861 0.04367226 Hg 40.52639472 36.96658333 36.50474092 3.08992808 -3.50248587 -4.16330323 Hg 42.73942030 37.64225204 34.62849165 -39.11136372 -39.04964194 -41.31328873 Hg 43.68927445 38.59287766 35.63568499 38.94274814 39.10955315 41.44702312 Hg 42.46012554 35.06914456 37.29803418 -0.04066788 0.10046996 0.02478175 Hg 43.94401543 36.87081294 39.40597960 3395.94410512 -2104.30743452 -3189.80519259 Hg 39.55586038 38.10134499 37.83127800 -1.94528698 6.11580582 3.74702396 Hg 41.80362363 39.44993051 39.30375963 14.61937919 -4.69238159 -4.77201110 Hg 35.24604614 39.82344403 34.96321717 -18.04947752 -10.08188180 -5.36415542 Hg 36.79452360 40.68254129 35.42733521 18.13382426 9.94878838 5.48721147 Hg 37.70778242 42.91144928 34.61890672 0.05922370 0.03229523 0.07285754 Hg 39.25470684 43.82271336 36.70031363 -2425.61060824 5670.63465310 -2759.09612859 Hg 37.84559431 40.48256010 37.78532812 -1.18504732 -0.81808840 -0.96512189 Hg 39.32913152 41.42258120 39.05953911 -9.51958672 20.36435742 -9.63608710 Hg 35.13873935 42.65978743 36.94373437 0.10591862 -0.06623905 0.00561282 Hg 36.84866191 43.84917036 39.35465047 -2.44357006 2.27312347 -3.38962443 Hg 39.98703762 39.71620145 35.30560002 22061.10291807 13810.24693782 -13267.52809236 Hg 41.34445272 40.87005775 36.12531370 -14.40904624 4.27107650 -17.13471676 Hg 42.48620381 42.76374722 35.06200705 0.05750262 0.10711466 0.00791278 Hg 43.94458870 44.01394744 36.94063768 -0.04966678 -0.08748358 0.03475609 Hg 42.58595253 40.89314290 37.41679031 -1.48526014 -11.37774242 0.98048581 Hg 43.79902949 41.56489693 38.53324239 21.43134242 11.79610883 19.49089586 Hg 39.68040921 42.82748365 37.18455381 2425.60441073 -5670.68446076 2758.67516423 Hg 40.57659250 43.73671157 39.28571285 0.01696166 -0.01935199 0.15093135 Hg 35.05135316 35.44478069 39.25116696 -11.96475236 -6.73469635 -28.32047924 Hg 35.73104914 35.82833527 40.85042314 6.92926658 3.21191443 26.63803360 Hg 37.29211829 36.89800361 40.14210957 3.80845057 3.01352072 -1.54084171 Hg 39.07082449 38.99859115 41.26038872 -261.94968219 268.26552961 -131.78756497 Hg 36.98870770 35.31064617 42.47879135 1.56239931 -0.59409086 1.90429884 Hg 38.89055874 36.97239018 43.18476721 -1.75079559 -1.51301181 2.13670665 Hg 35.24621123 37.25586006 42.37871680 -0.49885501 1.29161977 1.31337391 Hg 35.99410932 39.07389469 43.79852839 -1.37687937 -1.40825600 1.57934349 Hg 39.31838627 35.19722193 39.82121573 8.51557965 -17.35594403 22.67338077 Hg 41.72962826 35.57743130 41.68636119 -159.10805639 208.48784597 -294.21618397 Hg 43.13925631 37.36945113 40.16183841 -2902.60288503 370.73473835 878.58852795 Hg 42.92644936 38.11715641 41.15869696 -493.61146459 1733.52067104 2311.35577799 Hg 42.32437907 34.79859427 42.78614480 157.81219490 -209.82196362 292.91802312 Hg 43.47503980 36.20300131 43.90999313 1.20013872 1.58889849 1.15042104 Hg 40.02599491 37.99789263 41.76251851 260.55712329 -269.58300700 133.56549752 Hg 41.34061512 38.81674435 43.64589744 -7.46540118 -6.79333216 3.87934951 Hg 35.53340951 40.34818254 40.22575937 -2560.75211056 -601.56514781 -963.10965414 Hg 36.69224344 40.62189206 40.66305705 2540.49954958 561.38264645 963.26760060 Hg 37.36564603 42.20922529 40.59217688 -14.53818266 -5.60759685 -8.77273115 Hg 38.34273480 43.57803608 40.83491616 35.77286415 46.99020406 10.24862795 Hg 37.18897498 40.35581408 42.61232016 0.43927076 0.60348053 1.67444390 Hg 38.93672678 40.66385284 43.75264557 -10.86379102 -11.07075553 13.19716917 Hg 35.18556356 42.26769065 42.20556097 -7.37371972 -3.28895894 -6.52212482 Hg 36.57489594 42.86269641 43.40319356 7.57741567 3.12014860 6.34032408 Hg 40.09088591 39.97585617 39.83964441 -95.26558612 -148.95129749 -129.99117247 Hg 40.75684983 40.94301810 40.83703492 86.47594580 129.71499203 142.19857528 Hg 42.26138106 42.03689350 40.35587343 8.25149639 6.07264890 -2.59737316 Hg 43.92826478 43.78328608 41.08585787 0.02288203 0.00632630 0.01806620 Hg 42.66748027 40.03119355 42.96891126 7.25048107 6.65542710 -4.05865564 Hg 43.76948513 41.97701448 43.83554230 0.08883627 0.26335709 0.05691463 Hg 40.08521056 41.65814565 42.72770993 8.26948860 -4.45096270 -21.96862262 Hg 40.44871061 43.10677808 43.79039573 4.15304878 16.53511984 12.12859214