2014-10-09 11:24:00 +08:00
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DATE: 2007-06-11 CONTRIBUTOR: MI Mendelev, mendelev@ameslab.gov CITATION: Sun, Mendelev, Becker, Kudin, Haxhimali, Asta, Hoyt, Karma and Srolovitz, Phys Rev B 73, 024116 (2006)
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2007-06-12 00:54:20 +08:00
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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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2014-10-09 11:24:00 +08:00
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################################################
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2007-06-12 00:54:20 +08:00
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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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6.48803690000000E-0003 6.47686470000000E-0003 6.46570790000000E-0003 6.45456680000000E-0003 6.44344100000000E-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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2.37882900000000E-0003 2.37372780000000E-0003 2.36863490000000E-0003 2.36355020000000E-0003 2.35847380000000E-0003
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2.35340570000000E-0003 2.34834570000000E-0003 2.34329400000000E-0003 2.33825050000000E-0003 2.33321520000000E-0003
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2.32818820000000E-0003 2.32316920000000E-0003 2.31815850000000E-0003 2.31315600000000E-0003 2.30816160000000E-0003
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2.30317540000000E-0003 2.29819730000000E-0003 2.29322730000000E-0003 2.28826550000000E-0003 2.28331170000000E-0003
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2.27836610000000E-0003 2.27342860000000E-0003 2.26849910000000E-0003 2.26357760000000E-0003 2.25866440000000E-0003
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2.25375900000000E-0003 2.24886180000000E-0003 2.24397250000000E-0003 2.23909140000000E-0003 2.23421830000000E-0003
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2.22935300000000E-0003 2.22449590000000E-0003 2.21964670000000E-0003 2.21480550000000E-0003 2.20997220000000E-0003
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2.20514680000000E-0003 2.20032950000000E-0003 2.19552010000000E-0003 2.19071860000000E-0003 2.18592500000000E-0003
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2.18113930000000E-0003 2.17636150000000E-0003 2.17159170000000E-0003 2.16682970000000E-0003 2.16207550000000E-0003
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2.15732930000000E-0003 2.15259080000000E-0003 2.14786020000000E-0003 2.14313750000000E-0003 2.13842260000000E-0003
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2.13371540000000E-0003 2.12901610000000E-0003 2.12432460000000E-0003 2.11964080000000E-0003 2.11496480000000E-0003
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2.11029670000000E-0003 2.10563620000000E-0003 2.10098360000000E-0003 2.09633860000000E-0003 2.09170140000000E-0003
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2.08707190000000E-0003 2.08245010000000E-0003 2.07783600000000E-0003 2.07322960000000E-0003 2.06863090000000E-0003
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2.06403980000000E-0003 2.05945650000000E-0003 2.05488070000000E-0003 2.05031270000000E-0003 2.04575220000000E-0003
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2.04119950000000E-0003 2.03665430000000E-0003 2.03211680000000E-0003 2.02758670000000E-0003 2.02306440000000E-0003
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2.01854960000000E-0003 2.01404240000000E-0003 2.00954270000000E-0003 2.00505060000000E-0003 2.00056610000000E-0003
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1.99608910000000E-0003 1.99161960000000E-0003 1.98715770000000E-0003 1.98270320000000E-0003 1.97825630000000E-0003
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1.97381690000000E-0003 1.96938490000000E-0003 1.96496040000000E-0003 1.96054340000000E-0003 1.95613380000000E-0003
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1.95173180000000E-0003 1.94733710000000E-0003 1.94294990000000E-0003 1.93857010000000E-0003 1.93419770000000E-0003
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1.92983270000000E-0003 1.92547510000000E-0003 1.92112490000000E-0003 1.91678210000000E-0003 1.91244660000000E-0003
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1.90811860000000E-0003 1.90379780000000E-0003 1.89948450000000E-0003 1.89517850000000E-0003 1.89087970000000E-0003
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1.88658840000000E-0003 1.88230430000000E-0003 1.87802750000000E-0003 1.87375800000000E-0003 1.86949580000000E-0003
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1.86524090000000E-0003 1.86099330000000E-0003 1.85675290000000E-0003 1.85251970000000E-0003 1.84829380000000E-0003
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1.84407520000000E-0003 1.83986380000000E-0003 1.83565960000000E-0003 1.83146260000000E-0003 1.82727280000000E-0003
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1.82309020000000E-0003 1.81891480000000E-0003 1.81474660000000E-0003 1.81058550000000E-0003 1.80643160000000E-0003
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1.80228480000000E-0003 1.79814520000000E-0003 1.79401270000000E-0003 1.78988740000000E-0003 1.78576920000000E-0003
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1.78165800000000E-0003 1.77755400000000E-0003 1.77345710000000E-0003 1.76936720000000E-0003 1.76528450000000E-0003
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1.76120880000000E-0003 1.75714020000000E-0003 1.75307860000000E-0003 1.74902410000000E-0003 1.74497660000000E-0003
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1.74093610000000E-0003 1.73690270000000E-0003 1.73287620000000E-0003 1.72885680000000E-0003 1.72484440000000E-0003
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1.72083890000000E-0003 1.71684050000000E-0003 1.71284900000000E-0003 1.70886440000000E-0003 1.70488690000000E-0003
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1.70091630000000E-0003 1.69695260000000E-0003 1.69299580000000E-0003 1.68904600000000E-0003 1.68510310000000E-0003
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1.68116710000000E-0003 1.67723800000000E-0003 1.67331570000000E-0003 1.66940040000000E-0003 1.66549200000000E-0003
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1.66159040000000E-0003 1.65769560000000E-0003 1.65380780000000E-0003 1.64992670000000E-0003 1.64605250000000E-0003
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1.64218510000000E-0003 1.63832460000000E-0003 1.63447080000000E-0003 1.63062390000000E-0003 1.62678370000000E-0003
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1.62295040000000E-0003 1.61912380000000E-0003 1.61530400000000E-0003 1.61149090000000E-0003 1.60768460000000E-0003
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1.60388510000000E-0003 1.60009230000000E-0003 1.59630620000000E-0003 1.59252680000000E-0003 1.58875420000000E-0003
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1.58498830000000E-0003 1.58122900000000E-0003 1.57747650000000E-0003 1.57373060000000E-0003 1.56999140000000E-0003
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1.56625890000000E-0003 1.56253310000000E-0003 1.55881390000000E-0003 1.55510130000000E-0003 1.55139540000000E-0003
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1.54769610000000E-0003 1.54400340000000E-0003 1.54031730000000E-0003 1.53663780000000E-0003 1.53296500000000E-0003
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1.52929870000000E-0003 1.52563900000000E-0003 1.52198590000000E-0003 1.51833930000000E-0003 1.51469930000000E-0003
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1.51106580000000E-0003 1.50743890000000E-0003 1.50381850000000E-0003 1.50020470000000E-0003 1.49659730000000E-0003
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1.49299650000000E-0003 1.48940220000000E-0003 1.48581430000000E-0003 1.48223300000000E-0003 1.47865810000000E-0003
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1.47508970000000E-0003 1.47152770000000E-0003 1.46797230000000E-0003 1.46442320000000E-0003 1.46088060000000E-0003
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1.45734440000000E-0003 1.45381470000000E-0003 1.45029140000000E-0003 1.44677440000000E-0003 1.44326390000000E-0003
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