forked from lijiext/lammps
6008 lines
739 KiB
Forth
6008 lines
739 KiB
Forth
Sourse: D.Y. Sun, M.I. Mendelev, C.A. Becker, K. Kudin, T. Haxhimali, M. Asta, J.J. Hoyt, A. Karma and D.J. Srolovitz, Phys. Rev. B 73, 024116 (2006).
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Contact information: mendelev@ameslab.gov
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Sunday, Jun 10, 2007 The potential was taken from v1_11_hcp (in C:\SIMULATION.MD\Mg\Results\V1_11)
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1 Mg
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10000 5.00000000000000E-0002 10000 7.50000000000000E-0004 7.50000000000000E+0000
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12 2.43050000000000E+0001 3.18421500000000E+0000 hcp
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0 -2.25979014400000E-0001 -3.22844272400000E-0001 -3.99322342600000E-0001 -4.65555359300000E-0001
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9.73720520000000E-0003 9.72167960000000E-0003 9.70617410000000E-0003 9.69068890000000E-0003 9.67522370000000E-0003
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9.65977870000000E-0003 9.64435380000000E-0003 9.62894890000000E-0003 9.61356410000000E-0003 9.59819940000000E-0003
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9.58285460000000E-0003 9.56752980000000E-0003 9.55222500000000E-0003 9.53694010000000E-0003 9.52167520000000E-0003
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9.50643020000000E-0003 9.49120510000000E-0003 9.47599980000000E-0003 9.46081430000000E-0003 9.44564870000000E-0003
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9.43050290000000E-0003 9.41537690000000E-0003 9.40027060000000E-0003 9.38518420000000E-0003 9.37011730000000E-0003
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9.35507020000000E-0003 9.34004280000000E-0003 9.32503510000000E-0003 9.31004700000000E-0003 9.29507850000000E-0003
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9.28012960000000E-0003 9.26520020000000E-0003 9.25029050000000E-0003 9.23540020000000E-0003 9.22052950000000E-0003
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9.20567830000000E-0003 9.19084650000000E-0003 9.17603430000000E-0003 9.16124140000000E-0003 9.14646800000000E-0003
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9.13171390000000E-0003 9.11697920000000E-0003 9.10226390000000E-0003 9.08756800000000E-0003 9.07289120000000E-0003
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9.05823380000000E-0003 9.04359580000000E-0003 9.02897680000000E-0003 9.01437720000000E-0003 8.99979680000000E-0003
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8.98523550000000E-0003 8.97069350000000E-0003 8.95617050000000E-0003 8.94166670000000E-0003 8.92718210000000E-0003
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8.91271650000000E-0003 8.89827000000000E-0003 8.88384260000000E-0003 8.86943410000000E-0003 8.85504470000000E-0003
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8.84067430000000E-0003 8.82632280000000E-0003 8.81199020000000E-0003 8.79767670000000E-0003 8.78338200000000E-0003
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8.76910620000000E-0003 8.75484930000000E-0003 8.74061120000000E-0003 8.72639200000000E-0003 8.71219150000000E-0003
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8.69800990000000E-0003 8.68384700000000E-0003 8.66970290000000E-0003 8.65557750000000E-0003 8.64147080000000E-0003
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8.62738280000000E-0003 8.61331340000000E-0003 8.59926280000000E-0003 8.58523070000000E-0003 8.57121730000000E-0003
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8.55722240000000E-0003 8.54324620000000E-0003 8.52928840000000E-0003 8.51534920000000E-0003 8.50142850000000E-0003
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8.48752640000000E-0003 8.47364270000000E-0003 8.45977740000000E-0003 8.44593050000000E-0003 8.43210220000000E-0003
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8.41829210000000E-0003 8.40450040000000E-0003 8.39072710000000E-0003 8.37697210000000E-0003 8.36323550000000E-0003
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8.34951720000000E-0003 8.33581710000000E-0003 8.32213530000000E-0003 8.30847170000000E-0003 8.29482640000000E-0003
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8.28119920000000E-0003 8.26759020000000E-0003 8.25399940000000E-0003 8.24042670000000E-0003 8.22687210000000E-0003
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8.21333570000000E-0003 8.19981730000000E-0003 8.18631690000000E-0003 8.17283470000000E-0003 8.15937030000000E-0003
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8.14592410000000E-0003 8.13249590000000E-0003 8.11908550000000E-0003 8.10569310000000E-0003 8.09231870000000E-0003
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8.07896220000000E-0003 8.06562350000000E-0003 8.05230280000000E-0003 8.03899990000000E-0003 8.02571470000000E-0003
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8.01244740000000E-0003 7.99919790000000E-0003 7.98596630000000E-0003 7.97275230000000E-0003 7.95955600000000E-0003
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7.94637750000000E-0003 7.93321670000000E-0003 7.92007360000000E-0003 7.90694800000000E-0003 7.89384020000000E-0003
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7.88074990000000E-0003 7.86767730000000E-0003 7.85462220000000E-0003 7.84158480000000E-0003 7.82856490000000E-0003
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7.81556240000000E-0003 7.80257750000000E-0003 7.78961000000000E-0003 7.77666010000000E-0003 7.76372760000000E-0003
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7.75081250000000E-0003 7.73791480000000E-0003 7.72503450000000E-0003 7.71217170000000E-0003 7.69932610000000E-0003
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7.68649780000000E-0003 7.67368700000000E-0003 7.66089340000000E-0003 7.64811700000000E-0003 7.63535790000000E-0003
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7.62261610000000E-0003 7.60989150000000E-0003 7.59718410000000E-0003 7.58449380000000E-0003 7.57182080000000E-0003
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7.55916490000000E-0003 7.54652610000000E-0003 7.53390440000000E-0003 7.52129980000000E-0003 7.50871230000000E-0003
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7.49614180000000E-0003 7.48358830000000E-0003 7.47105200000000E-0003 7.45853260000000E-0003 7.44603010000000E-0003
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7.43354460000000E-0003 7.42107610000000E-0003 7.40862450000000E-0003 7.39618980000000E-0003 7.38377200000000E-0003
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7.37137100000000E-0003 7.35898700000000E-0003 7.34661970000000E-0003 7.33426920000000E-0003 7.32193550000000E-0003
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7.30961860000000E-0003 7.29731850000000E-0003 7.28503510000000E-0003 7.27276840000000E-0003 7.26051850000000E-0003
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7.24828520000000E-0003 7.23606850000000E-0003 7.22386850000000E-0003 7.21168520000000E-0003 7.19951840000000E-0003
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7.18736830000000E-0003 7.17523460000000E-0003 7.16311760000000E-0003 7.15101720000000E-0003 7.13893320000000E-0003
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7.12686570000000E-0003 7.11481480000000E-0003 7.10278020000000E-0003 7.09076210000000E-0003 7.07876040000000E-0003
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7.06677520000000E-0003 7.05480630000000E-0003 7.04285390000000E-0003 7.03091780000000E-0003 7.01899800000000E-0003
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7.00709450000000E-0003 6.99520730000000E-0003 6.98333630000000E-0003 6.97148180000000E-0003 6.95964340000000E-0003
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6.94782120000000E-0003 6.93601530000000E-0003 6.92422560000000E-0003 6.91245200000000E-0003 6.90069460000000E-0003
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6.88895330000000E-0003 6.87722810000000E-0003 6.86551900000000E-0003 6.85382600000000E-0003 6.84214910000000E-0003
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6.83048830000000E-0003 6.81884340000000E-0003 6.80721460000000E-0003 6.79560180000000E-0003 6.78400490000000E-0003
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6.77242400000000E-0003 6.76085910000000E-0003 6.74931010000000E-0003 6.73777700000000E-0003 6.72625980000000E-0003
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6.71475840000000E-0003 6.70327290000000E-0003 6.69180320000000E-0003 6.68034940000000E-0003 6.66891130000000E-0003
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6.65748910000000E-0003 6.64608250000000E-0003 6.63469170000000E-0003 6.62331670000000E-0003 6.61195740000000E-0003
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6.60061380000000E-0003 6.58928580000000E-0003 6.57797350000000E-0003 6.56667690000000E-0003 6.55539580000000E-0003
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6.54413040000000E-0003 6.53288060000000E-0003 6.52164630000000E-0003 6.51042760000000E-0003 6.49922440000000E-0003
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6.48803690000000E-0003 6.47686470000000E-0003 6.46570790000000E-0003 6.45456680000000E-0003 6.44344100000000E-0003
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6.43233070000000E-0003 6.42123580000000E-0003 6.41015630000000E-0003 6.39909210000000E-0003 6.38804330000000E-0003
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6.37700990000000E-0003 6.36599180000000E-0003 6.35498900000000E-0003 6.34400160000000E-0003 6.33302940000000E-0003
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6.32207240000000E-0003 6.31113070000000E-0003 6.30020420000000E-0003 6.28929290000000E-0003 6.27839680000000E-0003
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6.26751580000000E-0003 6.25665010000000E-0003 6.24579940000000E-0003 6.23496390000000E-0003 6.22414350000000E-0003
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6.21333820000000E-0003 6.20254800000000E-0003 6.19177270000000E-0003 6.18101260000000E-0003 6.17026740000000E-0003
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6.15953720000000E-0003 6.14882210000000E-0003 6.13812190000000E-0003 6.12743660000000E-0003 6.11676630000000E-0003
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6.10611090000000E-0003 6.09547040000000E-0003 6.08484480000000E-0003 6.07423400000000E-0003 6.06363810000000E-0003
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6.05305710000000E-0003 6.04249080000000E-0003 6.03193930000000E-0003 6.02140270000000E-0003 6.01088080000000E-0003
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6.00037360000000E-0003 5.98988120000000E-0003 5.97940340000000E-0003 5.96894030000000E-0003 5.95849210000000E-0003
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5.94805840000000E-0003 5.93763940000000E-0003 5.92723500000000E-0003 5.91684520000000E-0003 5.90646990000000E-0003
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5.89610930000000E-0003 5.88576320000000E-0003 5.87543170000000E-0003 5.86511470000000E-0003 5.85481230000000E-0003
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5.84452440000000E-0003 5.83425080000000E-0003 5.82399180000000E-0003 5.81374730000000E-0003 5.80351710000000E-0003
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5.79330130000000E-0003 5.78310000000000E-0003 5.77291310000000E-0003 5.76274040000000E-0003 5.75258220000000E-0003
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5.74243840000000E-0003 5.73230870000000E-0003 5.72219340000000E-0003 5.71209240000000E-0003 5.70200560000000E-0003
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5.69193320000000E-0003 5.68187490000000E-0003 5.67183080000000E-0003 5.66180100000000E-0003 5.65178520000000E-0003
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5.64178380000000E-0003 5.63179640000000E-0003 5.62182320000000E-0003 5.61186410000000E-0003 5.60191910000000E-0003
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5.59198820000000E-0003 5.58207140000000E-0003 5.57216850000000E-0003 5.56227980000000E-0003 5.55240500000000E-0003
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5.54254430000000E-0003 5.53269760000000E-0003 5.52286480000000E-0003 5.51304600000000E-0003 5.50324110000000E-0003
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5.49345020000000E-0003 5.48367310000000E-0003 5.47391000000000E-0003 5.46416070000000E-0003 5.45442530000000E-0003
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5.44470370000000E-0003 5.43499600000000E-0003 5.42530200000000E-0003 5.41562190000000E-0003 5.40595560000000E-0003
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5.39630290000000E-0003 5.38666410000000E-0003 5.37703900000000E-0003 5.36742760000000E-0003 5.35782990000000E-0003
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5.34824590000000E-0003 5.33867560000000E-0003 5.32911880000000E-0003 5.31957580000000E-0003 5.31004630000000E-0003
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5.30053050000000E-0003 5.29102830000000E-0003 5.28153960000000E-0003 5.27206440000000E-0003 5.26260290000000E-0003
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5.25315480000000E-0003 5.24372030000000E-0003 5.23429920000000E-0003 5.22489170000000E-0003 5.21549760000000E-0003
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5.20611690000000E-0003 5.19674970000000E-0003 5.18739590000000E-0003 5.17805550000000E-0003 5.16872840000000E-0003
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5.15941480000000E-0003 5.15011440000000E-0003 5.14082750000000E-0003 5.13155380000000E-0003 5.12229350000000E-0003
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5.11304640000000E-0003 5.10381270000000E-0003 5.09459220000000E-0003 5.08538490000000E-0003 5.07619080000000E-0003
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5.06700990000000E-0003 5.05784230000000E-0003 5.04868790000000E-0003 5.03954660000000E-0003 5.03041850000000E-0003
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5.02130350000000E-0003 5.01220160000000E-0003 5.00311280000000E-0003 4.99403710000000E-0003 4.98497460000000E-0003
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4.97592500000000E-0003 4.96688840000000E-0003 4.95786490000000E-0003 4.94885450000000E-0003 4.93985700000000E-0003
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4.93087260000000E-0003 4.92190110000000E-0003 4.91294240000000E-0003 4.90399680000000E-0003 4.89506410000000E-0003
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4.88614430000000E-0003 4.87723740000000E-0003 4.86834330000000E-0003 4.85946210000000E-0003 4.85059380000000E-0003
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4.84173830000000E-0003 4.83289560000000E-0003 4.82406580000000E-0003 4.81524860000000E-0003 4.80644430000000E-0003
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4.79765270000000E-0003 4.78887380000000E-0003 4.78010780000000E-0003 4.77135430000000E-0003 4.76261370000000E-0003
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4.75388560000000E-0003 4.74517020000000E-0003 4.73646750000000E-0003 4.72777740000000E-0003 4.71910000000000E-0003
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4.71043510000000E-0003 4.70178280000000E-0003 4.69314320000000E-0003 4.68451600000000E-0003 4.67590140000000E-0003
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4.66729940000000E-0003 4.65870980000000E-0003 4.65013280000000E-0003 4.64156830000000E-0003 4.63301610000000E-0003
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4.62447650000000E-0003 4.61594940000000E-0003 4.60743460000000E-0003 4.59893230000000E-0003 4.59044230000000E-0003
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4.58196480000000E-0003 4.57349960000000E-0003 4.56504670000000E-0003 4.55660620000000E-0003 4.54817800000000E-0003
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4.53976220000000E-0003 4.53135860000000E-0003 4.52296730000000E-0003 4.51458830000000E-0003 4.50622150000000E-0003
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4.49786700000000E-0003 4.48952460000000E-0003 4.48119450000000E-0003 4.47287660000000E-0003 4.46457080000000E-0003
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4.45627720000000E-0003 4.44799590000000E-0003 4.43972660000000E-0003 4.43146940000000E-0003 4.42322440000000E-0003
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4.41499130000000E-0003 4.40677050000000E-0003 4.39856160000000E-0003 4.39036490000000E-0003 4.38218010000000E-0003
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4.37400740000000E-0003 4.36584660000000E-0003 4.35769780000000E-0003 4.34956110000000E-0003 4.34143630000000E-0003
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4.33332350000000E-0003 4.32522250000000E-0003 4.31713360000000E-0003 4.30905640000000E-0003 4.30099120000000E-0003
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4.29293790000000E-0003 4.28489640000000E-0003 4.27686690000000E-0003 4.26884910000000E-0003 4.26084310000000E-0003
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4.25284900000000E-0003 4.24486660000000E-0003 4.23689600000000E-0003 4.22893710000000E-0003 4.22099010000000E-0003
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4.21305480000000E-0003 4.20513110000000E-0003 4.19721930000000E-0003 4.18931900000000E-0003 4.18143050000000E-0003
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4.17355370000000E-0003 4.16568840000000E-0003 4.15783490000000E-0003 4.14999290000000E-0003 4.14216250000000E-0003
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4.13434370000000E-0003 4.12653660000000E-0003 4.11874100000000E-0003 4.11095700000000E-0003 4.10318450000000E-0003
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4.09542340000000E-0003 4.08767390000000E-0003 4.07993600000000E-0003 4.07220950000000E-0003 4.06449440000000E-0003
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4.05679090000000E-0003 4.04909870000000E-0003 4.04141810000000E-0003 4.03374880000000E-0003 4.02609090000000E-0003
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4.01844450000000E-0003 4.01080930000000E-0003 4.00318550000000E-0003 3.99557310000000E-0003 3.98797210000000E-0003
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3.98038230000000E-0003 3.97280380000000E-0003 3.96523680000000E-0003 3.95768090000000E-0003 3.95013630000000E-0003
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3.94260280000000E-0003 3.93508080000000E-0003 3.92756980000000E-0003 3.92007020000000E-0003 3.91258170000000E-0003
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3.90510430000000E-0003 3.89763830000000E-0003 3.89018330000000E-0003 3.88273940000000E-0003 3.87530670000000E-0003
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3.86788520000000E-0003 3.86047470000000E-0003 3.85307520000000E-0003 3.84568690000000E-0003 3.83830970000000E-0003
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3.83094340000000E-0003 3.82358830000000E-0003 3.81624420000000E-0003 3.80891100000000E-0003 3.80158890000000E-0003
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3.79427770000000E-0003 3.78697760000000E-0003 3.77968830000000E-0003 3.77241000000000E-0003 3.76514260000000E-0003
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3.75788610000000E-0003 3.75064070000000E-0003 3.74340600000000E-0003 3.73618220000000E-0003 3.72896930000000E-0003
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3.72176720000000E-0003 3.71457600000000E-0003 3.70739560000000E-0003 3.70022600000000E-0003 3.69306720000000E-0003
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3.68591920000000E-0003 3.67878190000000E-0003 3.67165550000000E-0003 3.66453970000000E-0003 3.65743480000000E-0003
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3.65034050000000E-0003 3.64325690000000E-0003 3.63618410000000E-0003 3.62912180000000E-0003 3.62207030000000E-0003
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3.61502950000000E-0003 3.60799920000000E-0003 3.60097960000000E-0003 3.59397070000000E-0003 3.58697220000000E-0003
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3.57998450000000E-0003 3.57300720000000E-0003 3.56604050000000E-0003 3.55908450000000E-0003 3.55213900000000E-0003
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3.54520390000000E-0003 3.53827940000000E-0003 3.53136530000000E-0003 3.52446180000000E-0003 3.51756870000000E-0003
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3.51068610000000E-0003 3.50381400000000E-0003 3.49695230000000E-0003 3.49010100000000E-0003 3.48326010000000E-0003
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3.47642970000000E-0003 3.46960950000000E-0003 3.46279990000000E-0003 3.45600050000000E-0003 3.44921150000000E-0003
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3.44243280000000E-0003 3.43566450000000E-0003 3.42890640000000E-0003 3.42215870000000E-0003 3.41542130000000E-0003
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3.40869410000000E-0003 3.40197720000000E-0003 3.39527050000000E-0003 3.38857410000000E-0003 3.38188780000000E-0003
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3.37521180000000E-0003 3.36854600000000E-0003 3.36189040000000E-0003 3.35524490000000E-0003 3.34860960000000E-0003
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3.34198450000000E-0003 3.33536960000000E-0003 3.32876460000000E-0003 3.32216990000000E-0003 3.31558520000000E-0003
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3.30901070000000E-0003 3.30244620000000E-0003 3.29589170000000E-0003 3.28934730000000E-0003 3.28281300000000E-0003
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3.27628860000000E-0003 3.26977430000000E-0003 3.26327000000000E-0003 3.25677560000000E-0003 3.25029130000000E-0003
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3.24381690000000E-0003 3.23735250000000E-0003 3.23089800000000E-0003 3.22445340000000E-0003 3.21801870000000E-0003
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3.21159400000000E-0003 3.20517920000000E-0003 3.19877420000000E-0003 3.19237910000000E-0003 3.18599380000000E-0003
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3.17961840000000E-0003 3.17325280000000E-0003 3.16689710000000E-0003 3.16055110000000E-0003 3.15421490000000E-0003
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3.14788860000000E-0003 3.14157200000000E-0003 3.13526510000000E-0003 3.12896800000000E-0003 3.12268070000000E-0003
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3.11640300000000E-0003 3.11013510000000E-0003 3.10387690000000E-0003 3.09762830000000E-0003 3.09138950000000E-0003
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3.08516030000000E-0003 3.07894070000000E-0003 3.07273080000000E-0003 3.06653050000000E-0003 3.06033990000000E-0003
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3.05415890000000E-0003 3.04798740000000E-0003 3.04182560000000E-0003 3.03567320000000E-0003 3.02953050000000E-0003
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3.02339720000000E-0003 3.01727360000000E-0003 3.01115950000000E-0003 3.00505490000000E-0003 2.99895970000000E-0003
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2.99287410000000E-0003 2.98679790000000E-0003 2.98073130000000E-0003 2.97467410000000E-0003 2.96862620000000E-0003
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2.96258790000000E-0003 2.95655890000000E-0003 2.95053940000000E-0003 2.94452920000000E-0003 2.93852850000000E-0003
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2.93253710000000E-0003 2.92655510000000E-0003 2.92058240000000E-0003 2.91461910000000E-0003 2.90866510000000E-0003
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2.90272040000000E-0003 2.89678500000000E-0003 2.89085890000000E-0003 2.88494210000000E-0003 2.87903460000000E-0003
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2.87313630000000E-0003 2.86724730000000E-0003 2.86136750000000E-0003 2.85549700000000E-0003 2.84963560000000E-0003
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2.84378350000000E-0003 2.83794050000000E-0003 2.83210670000000E-0003 2.82628210000000E-0003 2.82046670000000E-0003
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2.81466040000000E-0003 2.80886320000000E-0003 2.80307520000000E-0003 2.79729630000000E-0003 2.79152650000000E-0003
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2.78576570000000E-0003 2.78001400000000E-0003 2.77427150000000E-0003 2.76853800000000E-0003 2.76281350000000E-0003
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2.75709810000000E-0003 2.75139160000000E-0003 2.74569430000000E-0003 2.74000590000000E-0003 2.73432650000000E-0003
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2.72865610000000E-0003 2.72299470000000E-0003 2.71734210000000E-0003 2.71169860000000E-0003 2.70606400000000E-0003
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2.70043830000000E-0003 2.69482160000000E-0003 2.68921370000000E-0003 2.68361470000000E-0003 2.67802460000000E-0003
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2.67244340000000E-0003 2.66687100000000E-0003 2.66130760000000E-0003 2.65575290000000E-0003 2.65020710000000E-0003
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2.64467010000000E-0003 2.63914190000000E-0003 2.63362250000000E-0003 2.62811180000000E-0003 2.62261000000000E-0003
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2.61711700000000E-0003 2.61163260000000E-0003 2.60615700000000E-0003 2.60069020000000E-0003 2.59523200000000E-0003
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2.58978260000000E-0003 2.58434190000000E-0003 2.57890990000000E-0003 2.57348650000000E-0003 2.56807190000000E-0003
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2.56266590000000E-0003 2.55726850000000E-0003 2.55187970000000E-0003 2.54649960000000E-0003 2.54112810000000E-0003
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2.53576530000000E-0003 2.53041100000000E-0003 2.52506530000000E-0003 2.51972820000000E-0003 2.51439960000000E-0003
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2.50907960000000E-0003 2.50376800000000E-0003 2.49846520000000E-0003 2.49317080000000E-0003 2.48788490000000E-0003
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2.48260740000000E-0003 2.47733850000000E-0003 2.47207810000000E-0003 2.46682610000000E-0003 2.46158270000000E-0003
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2.45634760000000E-0003 2.45112100000000E-0003 2.44590280000000E-0003 2.44069310000000E-0003 2.43549170000000E-0003
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2.43029880000000E-0003 2.42511420000000E-0003 2.41993800000000E-0003 2.41477030000000E-0003 2.40961080000000E-0003
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2.40445970000000E-0003 2.39931700000000E-0003 2.39418250000000E-0003 2.38905630000000E-0003 2.38393860000000E-0003
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