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=4708.314186231498 stress="-0.050754017259485376 -0.004198579285392236 -0.011848086997701316 -0.004198579285392236 -0.06483002799521553 0.008922234113217496 -0.011848086997701316 0.008922234113217496 -0.049736047972285764" pbc="F F F" Au 34.83451651 35.10535810 35.39397009 -292.77114633 -128.81548899 -87.56496029 Au 36.33268130 35.76741069 35.84410269 280.66441375 125.80343840 78.29275430 Au 36.64919348 37.61204406 34.82226869 1.90817325 14.24229699 -8.39230381 Au 37.98134164 39.07917266 36.28232034 27.89804347 -34.75510057 -88.63271130 Au 37.24217325 34.85297404 37.47687593 -295.80470836 -265.59975962 -198.41964269 Au 38.35961812 35.78492223 38.26964376 293.58643063 255.99077883 205.17130287 Au 35.05236494 37.39055695 37.67204097 0.46530957 0.57723864 0.02666677 Au 36.55604684 39.07636534 38.99475015 -3218.94880347 5785.62831625 -2943.41520720 Au 40.70088882 35.54050247 34.99882356 -2.55820286 -0.52075521 -2.60385793 Au 41.66337300 36.36674795 36.94832907 -85.75549677 82.74693402 -32.05614180 Au 42.86277397 37.52887429 35.13407940 -139.12982421 -185.80614494 -181.35410553 Au 43.67164286 38.61541692 36.18479006 139.15823460 186.69480295 181.30396982 Au 42.93908890 35.17473801 37.50606904 40.52903423 -139.64030959 -31.94323943 Au 43.78110695 36.23326230 38.78594819 136.11680930 -11.24458723 -66.11763707 Au 39.69020290 37.57777497 37.77741105 -15.05237681 -5.50007739 -16.65261207 Au 41.02074724 38.51099541 39.05570660 21.95515772 9.46180485 10.22755665 Au 34.69377201 39.99586385 35.35582450 -0.72845654 -1.94464398 -0.19730334 Au 36.36826737 41.12442926 36.63175822 -2.26868132 -15.84589003 -0.95394758 Au 37.29345274 42.29085015 35.09374850 -3.46481093 -0.35495226 -21.96806133 Au 38.61643991 43.32327578 36.40123177 -2389.48523369 1472.12212625 -1616.86279213 Au 37.49628893 39.73932125 37.95902960 623.46365683 483.11704033 -627.59527797 Au 39.14193657 41.14159098 38.05157904 -14.66173266 -68.03195711 44.91158835 Au 35.57718541 42.76939185 37.70660126 -1.65805190 -21.07640791 -65.11568503 Au 35.46670815 43.56634079 39.42105497 -7.12987946 42.05342899 68.91431446 Au 40.62134983 40.36716718 34.90225128 -6.80937031 -7.39068090 -10.58354522 Au 41.55001050 41.34881552 36.57847405 -1000.69864217 852.54887501 -807.36446187 Au 42.03909150 43.34588795 34.73563332 -3.29446306 -1.87631178 -2.03032766 Au 43.55875820 43.93086425 36.45407384 1.79057698 0.04030078 3.52061975 Au 42.52861623 40.52701693 37.37163078 954.96148291 -893.53696649 749.79640792 Au 43.53760724 41.38896908 38.68453127 98.99611793 -10.43653788 38.23929205 Au 39.66448343 42.68403127 37.11226018 2403.46223146 -1392.48133600 1553.24260438 Au 40.71516120 42.93281997 38.81358906 -93.48514461 19.17191234 -10.45344746 Au 35.49133878 35.41385920 39.50427763 -336.44023595 -1453.03340032 -1500.56621930 Au 35.72537574 36.42200066 40.54480565 332.37771921 1448.83860055 1503.62820115 Au 37.00297454 37.99791377 39.62151619 2602.98429858 -6262.35966869 3639.99783992 Au 38.78243708 38.51836867 41.81092657 -377.14727323 -310.04511615 504.40860092 Au 36.72507306 35.26357726 42.58695412 -16.22039366 -4.43865991 -7.81624147 Au 38.60175368 35.82109747 43.37957487 13.34854902 2.63849571 8.81695424 Au 35.19188989 38.43113208 42.68280383 -5455.45364983 -3149.25712990 -3253.90002501 Au 36.21823021 39.02325150 43.29514912 1341.78509524 -1576.44880479 7000.34357257 Au 39.49937938 35.22198360 39.97615061 8.90061274 -4.05094336 13.54714471 Au 41.48837336 36.00831489 41.43404765 -831.63157913 1336.10866431 -728.24628040 Au 42.87610597 36.93808096 40.15118991 -358.73714602 -985.51658195 -870.10657825 Au 43.16214879 38.02171062 41.16224051 280.97958810 1064.85662037 993.04597555 Au 42.20384740 34.85081933 42.03810700 847.32919007 -1371.71602073 715.09112137 Au 43.86711865 36.22502115 43.65084414 -0.33568762 0.79572096 -0.30693084 Au 40.22865493 37.14039452 42.44921816 -21.42245400 -21.92323210 -12.40269253 Au 40.58029149 38.47117941 43.82796402 10.26131175 38.94078988 39.69074774 Au 35.12004424 40.00042707 40.00682194 -36.95502923 -3.81825129 11.08133207 Au 35.46449589 41.83541913 40.87433342 244.93900806 -347.15023658 -438.16306806 Au 37.49308810 42.33652103 39.54899916 -8.72538658 -14.59392834 -22.14820788 Au 38.44716409 43.23465428 41.12953737 11.41006194 12.71005959 21.05129109 Au 36.96786264 39.88429939 42.61156932 4113.96848128 4728.42107131 -3748.95484699 Au 39.41085560 41.10936237 43.54917825 -21.81751100 -21.90353659 28.08937502 Au 34.84911262 42.76766083 42.04035502 -240.59915427 362.84302427 454.79641623 Au 36.41851943 43.83337009 43.68242222 1.43198759 -0.00878639 0.56346997 Au 39.60675953 39.24865510 40.64950065 356.88525436 322.47569934 -507.69855141 Au 40.89974943 41.22892384 41.12165250 949.58958482 -1677.23801931 -1926.70322465 Au 42.42514645 42.72433644 39.45486603 65.57145689 40.65323586 73.08392356 Au 43.90918678 43.68770482 41.32374220 0.07379437 -0.15206492 0.60596393 Au 42.89864609 40.36253528 42.01114327 -5.85361557 -14.75764880 -27.27443955 Au 43.43271795 41.23545638 43.76561610 7.92221981 13.95913065 27.77904636 Au 40.39757659 42.11536967 42.13716159 -929.62861955 1700.28180192 1895.73535990 Au 41.35328338 44.02988149 43.99820222 -0.04112532 -0.45227136 -0.43883858