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June 2008
- 17 participants
- 19 discussions
Can you please remove me from the d-list?
Thanks
Raja
1
0
Dear FEFF users,
I´m trying to calculate the XANES spectra of PbZr0.65Ti0.35O3
cubic phase. I obtained the FEFF.inp file from atoms using the
crystallographic data that I founded on the literature.
After starting the FEFF program (FEFF version 8.2), the
calculation stopped after 4 SFC interactions and I could not identify where
is the problem.
>Could anyone help me please to solve this problem? I´m sending my FEFF.inp
>file in attach
>Thank you in advance,
Regards
Valmor
Valmor Roberto Mastelaro
Grupo Crescimento de Cristais e Materiais Cerâmicos
Instituto de Física de São Carlos
Universidade de São Paulo
São Carlos - São Paulo
Brazil
Tel: 55 16 3373-9828
Fax: 55 16 3373-9824
e-mail alternativo: vmastelaro(a)gmail.com
No virus found in this outgoing message.
Checked by AVG.
Version: 7.5.524 / Virus Database: 270.2.0/1494 - Release Date: 6/10/2008 7:22 AM
4
3
11 Jun '08
On Wednesday 11 June 2008 08:06:06 you wrote:
> I observed another interesting fact concerning my calculation with FEFF.
> the feff.inp file that I obatined from ATOMS gives a strange stoichiometry
> for my sample Pb1Zr0.65Ti0.35O3, it gives 8 for Pb atoms and not 1 as
> expected.
Valmor,
Michel's observation about the value of FMS is certainly a good one.
Is question #3 at http://cars9.uchicago.edu/iffwiki/FAQ/RunningFeff
relevant?
I also want to mention to you and to everyone else on the list that it
is prudent to think hard about how to provide enough information so
your question can be answered. This isn't just about me being fussy
-- when you ask a question of the mailing list, presumably you need an
answer. The person answering needs sufficient information to form
that answer. The person asking needs an answer. No one benefits by a
hasty question. So, please.... think hard about how to ask questions
effectively.
In this case showing us the feff.inp file was certainly a good start,
but it would also be very useful to see what was written to the screen
while feff was running. The original crystallographic data might also
be helpful -- particularly in light of the observation about the odd
stoichiometry.
B
--
Bruce Ravel ------------------------------------ bravel(a)bnl.gov
National Institute of Standards and Technology
Synchrotron Methods Group at NSLS --- Beamlines U7A, X24A, X23A2
Building 535A
Upton NY, 11973
My homepage: http://xafs.org/BruceRavel
EXAFS software: http://cars9.uchicago.edu/~ravel/software/exafs/
1
0
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>Today's Topics:
>
> 1. calculation using FEFF stop after 4 SCF interactions (valmor)
>
Not too much surprising looking at your FMS card:
you ask for a cluster which radius is 0!
>----------------------------------------------------------------------
>
>Message: 1
>Date: Tue, 10 Jun 2008 16:41:10 -0300
>From: valmor <valmor(a)ifsc.usp.br>
>Subject: [Ifeffit] calculation using FEFF stop after 4 SCF
> interactions
>To: XAFS Analysis using Ifeffit <ifeffit(a)millenia.cars.aps.anl.gov>
>Message-ID: <6.1.1.1.1.20080610164051.08a31c48(a)if.sc.usp.br>
>Content-Type: text/plain; charset="iso-8859-1"
>
>Dear FEFF users,
>
> I?m trying to calculate the XANES spectra of PbZr0.65Ti0.35O3
>cubic phase. I obtained the FEFF.inp file from atoms using the
>crystallographic data that I founded on the literature.
>
> After starting the FEFF program (FEFF version 8.2), the
>calculation stopped after 4 SFC interactions and I could not identify where
>is the problem.
>
>>Could anyone help me please to solve this problem? I?m sending my FEFF.inp
>>file in attach
>
>
>>Thank you in advance,
>
>
>Regards
>
>Valmor
>
>
1
0
Sure .....
I used them for prepeak analysis, so the data should be fine.
benjamin
--
Benjamin Marchetti
Universität Stuttgart
Institut für Physikalische Chemie
Arbeitskreis Prof. Dr. H. Bertagnolli
Pfaffenwaldring 55
70569 Stuttgart (Vaihingen)
Telefon: (+49) 0711-685-64472
Fax: (+49) 0711-685-64443
E-Mail: b.marchetti(a)ipc.uni-stuttgart.de
#F is_rutil_ref
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4.82101 413279 325625 93873 19432 0 0 0 0 0 8.7926286 1.3526202 6.7632531 3.3831495 9.4616713 3.3817802 0.67631012 2.7053012 1.3532598 2.7033347 0.022475854 0.015659721 0.017877676 0.062831778 0.024755247 0 1.2438036 1.5750216 136.86477 1.2564321 24.211891 -1.2240249 0.40282703 -0.31542585 2 1.5
4.82604 413281 325575 95517 19797 0 0 0 0 0 3.3819861 5.4106961 6.7643126 6.0866495 6.0827793 2.0291917 2.029011 2.705725 2.0288832 2.7034574 0.030400406 0.021501724 0.035512385 0.015145531 0.03205156 0 1.2262886 1.5737738 136.85757 1.141247 24.185041 -1.223199 0.402857 -0.24806803 2 1.5
4.83103 413284 325718 97286 20190 0 0 0 0 0 7.4402667 8.1171883 10.147732 4.0578223 6.0830013 4.7347152 2.0292971 3.3825773 3.3815186 1.3517781 0.025370467 0.031970329 0.044385597 0.013036267 0.032430984 0 1.2083769 1.5724677 136.85097 1.168855 24.158441 -1.2230242 0.40320838 -0.2617574 2 1.5
4.83602 413287 325352 98897 20585 0 0 0 0 0 4.7360799 2.0287476 4.7346627 1.3526561 7.4339231 4.059497 2.7049968 1.3527608 0.67632805 1.3516224 0.059340507 0.010033363 0.029426244 0.021609605 0.030509154 0 1.1908288 1.5695162 136.84196 1.1436861 24.131941 -1.2240686 0.40346444 -0.5914654 2 1.5
4.84102 413289 325406 100651 20970 0 0 0 0 0 3.3818607 2.0289891 4.0584009 2.0297705 7.4350004 2.7054886 2.7053188 1.3528003 1.3531803 2.0277274 0.019961352 0.013794054 0.024154009 0.052096183 0.030162315 0 1.1734145 1.5685662 136.83476 1.1366351 24.105441 -1.2235326 0.40301932 -0.19000135 2 1.5
4.84603 413292 325486 102449 21415 0 0 0 0 0 5.4143888 1.353558 0.67676324 4.7379455 8.7914013 3.383993 0.676779 1.3535265 2.0305481 2.0287849 0.028362182 0.025439249 0.023111721 0.035967202 0.023905727 0 1.1559543 1.5652735 136.82456 1.1703441 24.078941 -1.2225756 0.40331565 -0.6572335 2 1.5
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4.86102 413300 325414 107914 22694 0 0 0 0 0 4.056941 1.3523535 9.4663186 2.7057316 7.4318639 2.0284705 0.67617677 2.7046625 3.3821645 2.026872 0.026767475 0.029741761 0.028011286 0.067542357 0.027934834 0 1.1037636 1.559234 136.80416 1.1373429 23.999991 -1.2234888 0.4040572 -0.32142854 2 1.5
4.86602 413303 325412 109780 23166 0 0 0 0 0 6.7634177 6.087575 5.4110284 2.0288826 8.7856928 4.0580506 2.0291917 2.7055142 2.7051768 1.351645 0.021799337 0.029967773 0.027100737 0.014604653 0.025295227 0 1.0866137 1.5557927 136.79576 1.13134 23.973791 -1.2237787 0.40357178 -0.68827293 2 1.5
4.87103 413305 325421 111645 23591 0 0 0 0 0 3.3816119 2.0289907 7.4403352 4.0575742 5.4068433 2.7052895 1.3526605 2.7055764 4.7338366 1.3517108 0.019608335 0.020933633 0.03023803 0.01076377 0.03126764 0 1.0697955 1.5544589 136.79036 1.1688809 23.947591 -1.222663 0.4038145 -0.26622066 2 1.5
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4.88103 413311 325328 115552 24560 0 0 0 0 0 4.7352943 4.0590708 8.1179 4.734459 4.731401 2.0294118 2.0295354 4.7354416 0.67635129 1.3518289 0.028510701 0.034543118 0.031513409 0.010846329 0.024596065 0 1.0351133 1.5486015 136.77356 1.137496 23.895441 -1.2237787 0.4040572 -0.54332045 2 1.5
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4.89103 413316 325142 119453 25520 0 0 0 0 0 3.3817006 12.173194 8.7938729 4.0586974 7.4344939 2.7053605 3.3814427 4.7351623 2.0293487 2.7034523 0.021853368 0.014252962 0.038379498 0.038054925 0.031781327 0 1.001339 1.5434605 136.75796 1.1300302 23.843591 -1.2236638 0.40354494 -0.55511212 2 1.5
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4.92201 413337 325299 132416 28788 0 0 0 0 0 7.4422803 10.825117 6.0896065 3.3829417 8.7892354 4.7359965 0.67656984 2.7064918 2.7063533 1.3521901 0.025323233 0.025133848 0.032871897 0.0279206 0.035710935 0 0.89879628 1.5259898 136.69736 1.0193899 23.684291 -1.2239099 0.4027348 -0.85649695 2 1.5
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4.92801 413344 324985 134879 29414 0 0 0 0 0 5.4113461 1 10.145857 5.4104224 7.4333103 2.7056731 0.6763125 3.3819522 3.381514 2.0272664 0.035592816 0.019986633 0.031481657 0.018661306 0.018267922 0 0.87940095 1.5229073 136.67636 1.009778 23.653691 -1.2246922 0.40311174 -0.71106711 2 1.5
4.93001 413347 325268 135933 29670 0 0 0 0 0 3.3817994 0.67635897 2.02943 3.3819715 4.054922 2.0290797 1.3527179 2.7059066 3.3819715 0.67582033 0.024774518 0.024720403 0.042193164 0.030021722 0.025565335 0 0.87248734 1.5220257 136.67036 1.0108659 23.643491 -1.2235763 0.40259913 -0.44082288 2 1.5
4.93201 413349 324966 136642 29877 0 0 0 0 0 2.0312118 1.3541291 8.8024306 4.7403288 6.7654732 2.0312118 2.0311937 2.0313301 2.0315695 1.3530946 0.02507124 0.024177731 0.030946723 0.042562404 0.027621392 0 0.86635619 1.5202754 136.66016 1.0618598 23.633341 -1.222794 0.40313857 -0.87513483 2 1.5
4.93402 413352 324985 137596 30104 0 0 0 0 0 4.0580034 0.67642394 1.3527761 3.3832704 5.4071415 2.7053356 1.3528479 2.0291642 2.7066163 1.3517854 0.017418158 0.03064497 0.025343432 0.06456405 0.033133627 0 0.85945717 1.5196638 136.65296 1.017221 23.623141 -1.2232864 0.40292248 -0.30428423 2 1.5
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5.00194 413650 566347 98715 11300 0 0 0 0 0 3.863818 5.4096537 5.0233259 3.4782436 5.7933578 2.3182908 0.77280767 1.9320484 1.5458861 1.1586716 0.02512279 0.030901586 0.032384928 0.048346221 0.029883625 0 1.7469701 2.1674342 135.79254 0.95004694 23.283291 -1.2225596 0.40340464 -7.8956749 2 2.6289101
5.00265 413653 569149 98346 11334 0 0 0 0 0 3.4638 2.3093166 5.7728801 3.4635222 6.1542248 2.6940667 0.76977221 1.9242934 1.1545074 1.5385562 0.026270624 0.031318748 0.024131343 0.018190559 0.018950252 0 1.7556504 2.1606848 135.78234 0.91491317 23.279791 -1.2220952 0.40294476 -9.5061545 2 2.641717
5.00336 413657 571436 98191 11373 0 0 0 0 0 5.7511826 9.5852838 7.2853978 2.6840775 6.5150614 2.6838852 1.1502341 2.3006519 1.9171982 1.1497167 0.024055991 0.023856661 0.031783736 0.031231736 0.027308641 0 1.7612379 2.1556724 135.77094 0.95166096 23.276291 -1.2230518 0.4030254 -7.0596886 2 2.654462
5.00407 413661 574421 98699 11438 0 0 0 0 0 4.9665218 0.76409603 5.3488799 3.4378579 6.8742044 2.674281 0.38204802 2.2923771 2.2919053 3.055202 0.025329316 0.027407084 0.031165444 0.010662694 0.034739681 0 1.7612878 2.1551337 135.76134 0.9107259 23.272791 -1.2232978 0.40305229 -0.75882687 2 2.6671461
5.0048 413664 577066 99803 11535 0 0 0 0 0 3.8052283 7.6103558 7.2309111 5.7075114 6.8461118 1.1415685 1.9025889 2.6640199 1.9025038 1.9016977 0.029792501 0.0284991 0.043319855 0.024055911 0.031648276 0 1.7547584 2.1578124 135.75054 0.90435361 23.269191 -1.2230081 0.40284914 3.6694276 2 2.6797702
5.00554 413668 579883 101604 11703 0 0 0 0 0 3.3987186 5.6646029 4.531861 2.2659274 5.2843046 1.1329062 1.5105608 2.6435856 2.643582 1.5098013 0.028721081 0.030019765 0.033870569 0.033825235 0.023998911 0 1.7417435 2.1612377 135.73854 0.91361878 23.265541 -1.2226907 0.4034034 4.6288296 2 2.6923351
5.00627 413671 582365 103578 11899 0 0 0 0 0 3.7620307 4.5144722 3.3862521 2.2573183 6.3925375 1.5048123 1.1286181 1.8812512 1.5048789 1.5041265 0.025498896 0.026266159 0.038075902 0.029951996 0.025186605 0 1.7267724 2.1638706 135.72954 0.94698827 23.261941 -1.2228931 0.40299703 3.6067176 2 2.7048417
5.00703 413675 585258 105990 12156 0 0 0 0 0 2.6235713 1.1243078 5.2473456 3.3732304 6.3685772 1.1243877 0.74953854 2.6236728 1.1244101 1.1238666 0.028939689 0.021865584 0.032761516 0.030918044 0.029225803 0 1.708708 2.1655219 135.71874 0.95507429 23.258241 -1.2229091 0.40326753 2.1727446 2 2.7172907
5.00778 413679 587708 108324 12416 0 0 0 0 0 5.2277256 5.2278982 6.7211527 3.3611828 5.9722635 2.9872718 0.3734213 1.8669869 1.1203943 0.37326647 0.022696944 0.025967272 0.019546097 0.037629913 0.026150505 0 1.6911035 2.1661408 135.70974 0.90692001 23.254541 -1.2231392 0.40352458 0.8251969 2 2.7296829
5.00854 413682 590169 110733 12717 0 0 0 0 0 4.4473691 4.4474159 7.7829998 3.7067459 5.9271745 3.3355268 1.111854 1.8530952 1.853373 1.4817936 0.024927532 0.026039082 0.026246593 0.041245308 0.031328949 0 1.673287 2.1641822 135.69774 0.90803992 23.250791 -1.223314 0.40280722 -2.5770466 2 2.7420191
5.00933 413686 592984 113043 12993 0 0 0 0 0 5.5394288 1.8463254 6.2779794 2.5851817 7.3818584 2.954362 0.36926509 2.2157574 2.21587 1.1072788 0.0289432 0.020791517 0.028293432 0.03334394 0.020471915 0 1.6573991 2.1633575 135.68754 0.94981514 23.246941 -1.2228931 0.40263763 -1.0439124 2 2.7543
5.01008 413690 595999 115549 13299 0 0 0 0 0 3.6788867 6.2537936 4.7824436 1.4714323 4.4127251 2.5752207 1.1036106 1.8394014 1.1035743 0.73545418 0.026479802 0.021492546 0.02424362 0.018138302 0.028879129 0 1.6405443 2.1620058 135.67794 0.95376064 23.243241 -1.223735 0.40292401 -1.8022512 2 2.7665264
5.01086 413694 597720 118159 13559 0 0 0 0 0 3.2990781 0.7331117 5.4984772 1.8331195 6.5945747 1.8328212 0.36655585 1.4662606 1.4664956 1.0990958 0.028084425 0.025812361 0.028333618 0.044369958 0.017976806 0 1.6210912 2.1649806 135.66774 0.94765076 23.239391 -1.2234888 0.40237149 3.8138508 2 2.7786991
5.01165 413697 600995 121189 13851 0 0 0 0 0 5.095505 6.1875737 7.27903 2.911181 4.7294128 2.5477525 1.4558997 2.183709 1.4555905 0.72760197 0.029878678 0.032673101 0.026181925 0.011482122 0.032017615 0 1.6012353 2.1689939 135.65574 0.90914829 23.235541 -1.2234727 0.40342298 5.0800464 2 2.7908186
5.01245 413701 603406 123847 14092 0 0 0 0 0 6.1638314 2.1754844 5.07605 4.7127977 3.9862386 1.8128916 1.0877422 2.17545 2.1751374 1.8119266 0.030924447 0.031576891 0.029996538 0.015715354 0.02165029 0 1.5835433 2.1734397 135.64434 0.90782811 23.231591 -1.2230839 0.40246519 5.5572426 2 2.8028858
5.01326 413705 605838 126037 14300 0 0 0 0 0 3.9737151 5.7797387 4.695881 2.8905589 6.8610842 2.1674809 1.083701 1.4448865 1.8065993 1.0833291 0.02871693 0.025134376 0.021739645 0.048926497 0.035880256 0 1.5700371 2.176316 135.63594 0.95335479 23.227641 -1.2229805 0.4027482 3.5509939 2 2.8149012
5.01405 413709 608785 127635 14455 0 0 0 0 0 2.880008 7.5603793 6.4801562 2.5198851 6.8371343 2.160006 0.72003612 2.1600521 1.0799508 0.71969835 0.027034796 0.03178552 0.02919421 0.022168905 0.024117302 0 1.5622905 2.1781343 135.62454 0.94502347 23.223741 -1.2222262 0.40282862 2.3016141 2 2.8268655
5.01487 413712 610563 128396 14575 0 0 0 0 0 4.3043175 7.1728786 5.73868 1.7934697 5.0192876 2.5108519 1.0759318 2.5106725 1.4347758 0.71704109 0.031725931 0.018013857 0.024568691 0.031941083 0.026077984 0 1.5592622 2.1758115 135.61374 0.94140963 23.219741 -1.2220674 0.40259913 -2.8326178 2 2.8387794
5.01568 413716 613103 128776 14695 0 0 0 0 0 4.6460051 1.4295748 6.4332106 3.5749335 6.7867177 2.501695 1.0721811 2.5018041 1.7874667 1.071587 0.029995876 0.032382506 0.034326093 0.06026447 0.022382845 0 1.5604585 2.1705672 135.60174 0.90255557 23.215741 -1.2223572 0.40288225 -6.4744998 2 2.8506435
5.01653 413720 615895 128921 14775 0 0 0 0 0 4.61339 7.8069574 4.2585272 2.1287529 6.029555 2.8390093 0.7097234 2.8390181 1.4191686 0.3546797 0.032835383 0.028705997 0.033062458 0.0090806858 0.019544956 0 1.5638767 2.1662633 135.59034 0.91424845 23.211591 -1.2222976 0.40316541 -5.0634243 2 2.8624585
5.01736 413724 618583 129021 14874 0 0 0 0 0 5.3042241 3.1821577 4.5965014 3.1817806 6.3623376 2.1216896 0.35357308 2.8286162 1.4141247 0.7069264 0.032973157 0.021166306 0.022283361 0.0093453223 0.032775332 0 1.5674562 2.1603605 135.58134 0.90615825 23.207541 -1.2230357 0.40267954 -7.1117962 2 2.8742249
5.01819 413727 620558 129055 14956 0 0 0 0 0 3.1712567 3.1711999 4.5803697 2.11415 5.9866659 1.0570856 1.0570666 2.1140168 1.057075 1.4086273 0.029053194 0.027291889 0.021796639 0.028109123 0.01282978 0 1.5703804 2.1551261 135.57174 0.9485208 23.203491 -1.2230197 0.40271975 -6.3064416 2 2.8859433
5.01904 413731 624012 129593 15078 0 0 0 0 0 5.6179096 7.7243176 8.4263543 2.106514 7.0186017 2.8089548 0.35110535 2.8087848 1.7554284 0.70186017 0.029792963 0.025791399 0.023713394 0.020175165 0.018215803 0 1.5717708 2.151162 135.56034 0.94840665 23.199291 -1.223429 0.40281362 -4.6636125 2 2.8976143
5.0199 413735 625557 130169 15174 0 0 0 0 0 3.498677 2.7988374 7.3482337 3.4986565 5.9447185 2.0992062 1.3994187 3.4991589 2.4490595 1.7484466 0.023602332 0.019782698 0.037299944 0.022930764 0.017675999 0 1.5698088 2.1492502 135.54894 0.90618334 23.195091 -1.2225873 0.40255719 -2.2231082 2 2.9092385
5.02076 413739 628559 131612 15356 0 0 2 0 0 5.2296134 5.9273441 8.019491 3.4871044 5.9252938 2.0918454 1.0460019 2.7893882 1.3948417 0.69709339 0.019658313 0.027243244 0.029097628 0.039652401 0.035273252 9.1479082e-06 1.5635717 2.1483519 135.53814 0.90925956 23.190891 -1.2221667 0.4031506 -1.0444724 2 2.9208164
5.02164 413743 630262 133139 15512 0 0 0 0 0 2.4324569 5.2119976 2.7796444 2.0849277 5.5568127 2.0849631 0.69493301 1.3898222 0.6949759 1.0419024 0.039305779 0.03148328 0.028301497 0.037638454 0.025720257 0 1.5547419 2.1497798 135.53034 0.90284642 23.186591 -1.2229047 0.40266445 1.6225617 2 2.9323486
5.02252 413747 633425 135257 15724 0 0 0 0 0 4.485344 3.1053509 5.5205277 3.4505908 5.8631663 2.4151852 0.69007797 2.0701979 1.7252954 1.3795685 0.027414017 0.0310427 0.029290451 0.036892735 0.034407224 0 1.5439649 2.1519885 135.51954 0.94898229 23.182291 -1.2240197 0.40273151 2.5098722 2 2.9438357
5.02339 413751 635235 137239 15902 0 0 0 0 0 3.105936 6.9012769 2.4153699 2.0706228 6.2085647 1.72552 2.0703831 2.7604227 1.3804152 1.0347608 0.037945867 0.026327171 0.023194803 0.037918259 0.026371376 0 1.5322711 2.155279 135.50514 0.94227894 23.178041 -1.2233691 0.4025152 3.7822749 2 2.9552781
5.02428 413754 637556 139317 16066 1 0 0 0 0 4.8143676 5.5020473 3.7822325 3.0946547 6.1866725 2.7510672 1.0316339 2.4068752 1.0315516 1.0311121 0.018496336 0.016914765 0.0057062384 0.026069657 0.026512003 2.7448569e-06 1.5208902 2.1600467 135.49734 0.93873752 23.173691 -1.2226587 0.40278518 5.3568881 2 2.9666763
5.02518 413758 640141 141364 16212 0 0 0 0 0 3.0747819 4.1002175 8.1999766 2.7335986 4.7820492 1.7082122 1.0250544 3.4166569 2.050199 0.68314988 0.023197803 0.035548743 0.0300154 0.040002707 0.043059714 0 1.5103503 2.1655864 135.48354 0.94746297 23.169291 -1.2240197 0.40232566 6.1552678 2 2.978031
5.0261 413762 643401 143229 16345 0 0 0 0 0 5.1053672 3.7442801 3.4037195 2.3821217 6.8048838 2.7228625 0.68077819 2.3826036 1.3612124 1.7012209 0.024049537 0.033223381 0.028200903 0.00798851 0.031087483 0 1.5023234 2.1705227 135.47454 0.94057246 23.164841 -1.2237025 0.40286571 5.3655352 2 2.9893425
5.027 413766 645447 144726 16450 0 0 0 0 0 5.42694 1.0175648 3.7313301 2.0351285 5.0859367 3.3918375 0.67837652 2.035271 1.6959404 1.0171873 0.022854592 0.024197449 0.031169464 0.024143192 0.02887861 0 1.4951008 2.1745168 135.46073 0.9417345 23.160441 -1.223429 0.40289256 4.4379051 2 3.0006114
5.02792 413770 647326 145782 16499 0 0 0 0 0 4.0568494 3.7186916 6.4235447 2.704552 6.7588866 2.3664955 0.67612575 2.0284878 1.690345 0.67588866 0.029402342 0.02703655 0.03248465 0.028861592 0.03209324 0 1.4907377 2.1788126 135.44933 0.94650377 23.155941 -1.2232105 0.40270302 4.6693041 2 3.0118381
5.02883 413774 650037 146704 16538 0 0 0 0 0 4.7167554 7.4126766 6.7382783 1.010745 4.3779811 2.3583777 1.6846992 2.0214835 1.684575 1.3470711 0.025247312 0.033775747 0.02608264 0.026365585 0.02347277 0 1.4886123 2.1827562 135.44093 0.90153198 23.151491 -1.2237025 0.40281042 4.3336328 2 3.0230231
5.02978 413778 652417 147106 16532 0 0 0 0 0 4.6995036 7.0499427 6.3779731 3.0214389 6.0400049 2.014073 1.3428462 2.3497796 1.0071463 2.013335 0.024403439 0.034202851 0.025611581 0.035303627 0.030270224 0 1.4895305 2.1858555 135.42893 0.94414611 23.146891 -1.222877 0.40308062 3.2624534 2 3.0341669
5.03071 413782 654274 147257 16477 0 0 0 0 0 4.0163906 4.6852389 4.0159346 3.0119586 5.3526607 2.6775937 1.6732996 2.0079673 0.33466207 1.0036239 0.037029623 0.025279343 0.025654071 0.025894969 0.03033921 0 1.4913469 2.1902139 135.41693 0.90167819 23.142341 -1.2230081 0.40333739 4.6864213 2 3.0452699
5.03167 413786 656606 147484 16390 0 0 0 0 0 4.336422 6.0038464 8.3383118 3.6685978 7.3352071 1.6678546 1.3341881 2.3347273 1.0005267 2.000511 0.038291448 0.031142422 0.026740983 0.019725326 0.034089252 0 1.4933644 2.1970483 135.40733 0.93847853 23.137691 -1.2214286 0.40308062 7.1191792 2 3.0563325
5.0326 413790 659267 147687 16287 0 0 0 0 0 3.3137482 5.301444 7.6210662 3.3133318 7.2864001 1.9882489 0.6626805 2.9821563 1.9879991 0.99360001 0.037205003 0.026816945 0.02999695 0.024643945 0.024554593 0 1.4960334 2.2047279 135.39473 0.95127282 23.133141 -1.2229644 0.40339119 8.2576594 2 3.0673553
5.03357 413794 661063 147812 16138 0 0 0 0 0 4.3071607 4.6387088 5.6326454 2.9823868 5.9621925 2.9818805 1.6566817 1.3253283 1.6568815 1.3249317 0.021437269 0.026286772 0.025041265 0.038357489 0.035203118 0 1.4979079 2.2147645 135.38333 0.93943956 23.128441 -1.222877 0.40343154 10.346939 2 3.0783386
5.03453 413798 663569 148270 16059 0 0 0 0 0 4.6081565 2.3040695 5.5958544 3.2917276 4.9356054 2.9623863 1.3166111 1.9750074 1.9750366 0.98712109 0.024034464 0.023560618 0.028207146 0.029641925 0.029288005 0 1.4985979 2.2227655 135.37253 0.94294919 23.123791 -1.2235439 0.40272821 8.334416 2 3.0892829
5.03551 413802 665903 148737 15955 0 0 0 0 0 5.2502512 1.9688651 6.5622869 4.2658078 5.576052 2.6251256 0.98443257 2.2968004 1.3125563 0.98400918 0.029601483 0.030624991 0.021544739 0.029050385 0.027281241 0 1.4989644 2.2324074 135.36053 0.94785931 23.118991 -1.2235164 0.40352574 9.8386632 2 3.1001885
5.03648 413806 667876 149034 15874 0 0 0 0 0 4.2511984 5.8864303 6.8671571 1.9617842 5.2304189 1.6350763 0.65404781 1.3080299 1.6348201 1.3076047 0.030101333 0.032782038 0.027747525 0.014409329 0.034873559 0 1.4999281 2.2394919 135.34913 0.94104218 23.114291 -1.2222262 0.40307918 7.3036405 2 3.1110559
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5.03846 413814 672835 148953 15732 0 0 0 0 0 4.2234476 3.5737148 8.773014 4.8740696 6.1700226 2.2741641 0.97464949 1.6246322 2.2745658 0.9742141 0.026826769 0.027593289 0.040987742 0.044508512 0.022283883 0 1.5078693 2.247934 135.32513 0.94401743 23.104691 -1.222647 0.40291635 2.0953638 2 3.1326775
5.03946 413818 674800 148277 15670 0 0 0 0 0 4.2099274 2.266844 3.2386838 2.2667407 5.1792774 2.266884 0.97150459 1.9432103 1.9429206 0.97111451 0.026533762 0.024811378 0.035197409 0.020291757 0.023649587 0 1.5153342 2.2473341 135.31613 0.93904329 23.099841 -1.2223135 0.40272656 -0.59987566 2 3.1434326
5.04047 413823 676753 147378 15628 0 0 0 0 0 4.1954236 5.8087016 6.7776706 3.2272822 6.4520274 2.2590742 1.2908226 1.9364773 2.5818258 0.64520274 0.030170957 0.024234605 0.036726768 0.031229168 0.031719838 0 1.5243056 2.2439365 135.30293 0.94272395 23.094941 -1.2228217 0.40328099 -3.3639129 2 3.154151
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5.04251 413831 681580 145812 15639 0 0 0 0 0 1.9243092 0.64144776 1.6035776 1.9243813 5.4505683 1.603591 0.32072388 1.2828621 1.2829209 0.64124333 0.025624062 0.027445261 0.024790409 0.029433199 0.034460194 0 1.5420955 2.2325503 135.28133 0.93444982 23.085041 -1.2221111 0.40358633 -6.4151236 2 3.1754793
5.04354 413835 683375 145593 15688 0 0 0 0 0 4.7958698 7.0338857 5.1151509 3.1975291 7.9893685 2.8775219 0.31972208 1.5984847 1.9185175 1.278299 0.030273983 0.029430176 0.021592893 0.039095717 0.021699638 0 1.5462287 2.227919 135.26753 0.9337193 23.080091 -1.2220396 0.40307437 -4.4964636 2 3.1860899
5.04457 413839 685668 145902 15801 0 1 0 0 0 4.7801555 3.5051181 7.9674265 4.7801488 6.0519375 2.2307392 0.95594129 2.5495765 2.2307361 1.5926151 0.029346745 0.01991668 0.035629212 0.029117391 0.020061757 5.3475832e-06 1.5474584 2.2228619 135.25613 0.93738491 23.075091 -1.2224605 0.40361316 -4.9097422 2 3.1966652
5.04561 413843 686702 146367 15917 0 0 0 0 0 4.1298034 5.3999035 7.94143 3.1771162 6.0333579 2.2237403 0.95292414 2.8589148 1.5885581 0.31754515 0.030435746 0.019193392 0.024147652 0.041284291 0.027312954 0 1.5457833 2.2187294 135.24773 0.93965345 23.070041 -1.2234014 0.40241348 -3.9735466 2 3.2072057
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5.05978 413898 717178 162916 18829 0 0 0 0 0 4.8651271 4.8649797 5.7771016 3.9534654 5.166964 2.1284931 1.2162449 2.1284059 2.128789 0.91181718 0.029825325 0.026785531 0.025727678 0.043711125 0.024344501 0 1.4820893 2.1578365 135.09173 0.97833524 23.001741 -1.2243258 0.40271975 0.15409843 2 3.3412076
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5.07026 413937 735552 171108 20046 0 0 0 0 0 4.1563352 6.8276454 6.5312279 2.9692918 5.3420483 2.0781676 1.1874166 1.781244 1.1877167 0.59356093 0.03088867 0.021795049 0.028502484 0.047117097 0.033120429 0 1.4583263 2.1442653 134.98432 0.92918446 22.951491 -1.2247906 0.40213606 -0.81170679 2 3.4309137
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5.08895 414004 764424 190384 20119 0 0 0 0 0 4.561497 2.5657788 5.7016963 3.1355582 7.124536 2.2807485 0.85525961 1.7105089 1.4252537 2.564833 0.030278001 0.027838333 0.027245515 0.015263819 0.022871909 0 1.3900795 2.2473784 134.79892 0.92539451 22.862391 -1.2259396 0.4006306 6.8899566 2 3.5754256
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5.10091 414045 781989 209844 22918 0 0 0 0 0 5.2959729 3.9020435 6.9680234 2.7873004 6.1295433 2.7873542 1.393587 2.7872094 2.2298403 1.6716936 0.033068212 0.026603689 0.027863159 0.031084289 0.022973767 0 1.3154763 2.2144418 134.68252 0.92919964 22.805741 -1.2264758 0.401251 -8.7998938 2 3.6593946
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5.87649 415895 1214613 2024208 404298 0 0 0 0 0 5.5296434 4.8382894 5.0113016 3.1108127 8.6380473 3.1104244 2.2463487 1.9008386 1.3825834 2.7641751 0.030499334 0.02742441 0.031722401 0.042985603 0.028496265 0 -0.51075301 1.6107816 129.66881 0.96937104 19.660841 -1.2303067 0.39951935 -0.82700658 2 5.898192
5.88002 415902 1216001 2039775 408653 0 1 0 0 0 5.5202603 5.8658206 6.3833089 4.1402552 8.7967931 2.9326383 1.2076689 2.7603498 2.2426383 2.0698337 0.025309718 0.034588304 0.033277572 0.026765316 0.034029112 3.9943576e-06 -0.5172719 1.6077284 129.65021 0.96707779 19.648541 -1.2309916 0.39903535 -0.86491803 2 5.9039113
5.88356 415909 1216822 2054858 412867 1 0 0 0 1 6.3823624 5.3471762 6.382834 4.484696 6.2085608 3.7949182 1.7248956 2.4151264 2.7598129 1.8970602 0.027604414 0.023672592 0.034971428 0.022934515 0.029046457 4.0717093e-06 -0.5239642 1.6048365 129.63161 0.93391988 19.636241 -1.2299647 0.39880656 -0.81691635 2 5.9096251
5.88712 415916 1218423 2071294 417529 0 0 0 0 0 5.6827793 3.6161784 6.888233 2.7549619 5.8534437 3.6163141 1.7219897 2.927499 1.7218512 1.3772809 0.031530034 0.027756487 0.031743506 0.019761777 0.026800419 0 -0.53061613 1.6015748 129.61361 0.97326677 19.623891 -1.2304918 0.39819927 -0.91621034 2 5.9153333
5.89066 415923 1219492 2086289 421766 0 0 0 0 0 5.6829101 4.1329939 8.4376757 3.4445301 6.3707458 2.7553503 0.8610404 2.582962 2.7556241 1.5496409 0.03309341 0.032335938 0.026159113 0.043002512 0.03864915 0 -0.53695251 1.5986915 129.59621 0.96648373 19.611591 -1.2313293 0.39850746 -0.81449096 2 5.9210361
5.89424 415930 1219861 2100745 426064 0 0 1 0 0 5.1571362 6.8756691 6.1885187 4.9848645 7.5623213 1.8909499 2.2345924 2.9223561 2.4064863 2.5780641 0.028629928 0.021164536 0.027901264 0.021281392 0.030877939 1.7359741e-06 -0.54355513 1.5954578 129.57701 0.96727168 19.599191 -1.2306212 0.39803635 -0.9032843 2 5.9267334
5.89781 415937 1221243 2116787 430717 0 0 0 1 0 5.6630742 8.2370117 4.4620007 4.6340345 6.8623676 3.2605579 2.2308573 2.059385 1.88794 0.85779595 0.028367932 0.026089622 0.03251281 0.041543706 0.020087808 2.0098747e-06 -0.55003018 1.5922034 129.55901 0.97499188 19.586841 -1.2314788 0.398142 -0.91158624 2 5.9324252
5.90137 415944 1222383 2132383 435026 0 1 0 3 0 4.1184917 5.3196947 5.4918214 3.4318816 5.8335353 2.2308497 1.3728244 2.7459107 1.7159408 0.85787283 0.025911157 0.025478824 0.034996941 0.020242834 0.030207416 8.0784828e-06 -0.5564379 1.5895896 129.54041 0.96254255 19.574541 -1.2306378 0.39815521 -0.73420697 2 5.9381115
5.90495 415950 1223413 2148549 439645 0 2 0 2 0 3.7688086 6.6811252 7.1954913 5.1397297 6.3376175 2.2270233 2.0557308 3.5977457 2.5698648 1.3702957 0.02703786 0.027880471 0.033881539 0.035710622 0.036305333 8.5825473e-06 -0.56314824 1.5865804 129.52241 0.96866956 19.562191 -1.2305679 0.39873229 -0.84055497 2 5.9437924
5.90857 415957 1224604 2164569 444274 0 0 0 0 0 5.8251323 4.7969285 5.8254449 3.0841641 6.5088474 2.9125662 2.3984642 3.2553957 2.0561094 0.85642729 0.029095466 0.024114712 0.034446182 0.037864878 0.02657527 0 -0.56960374 1.5835351 129.50681 0.97025511 19.549741 -1.2309884 0.39851645 -0.84126279 2 5.9494679
5.91214 415964 1225244 2178098 448789 0 0 0 0 0 5.6436203 4.9593697 6.4987107 3.0783472 7.3526554 3.5913947 2.2231657 2.7362992 2.2232507 1.3679359 0.028024377 0.024447676 0.027949155 0.028297934 0.033912137 0 -0.57531201 1.5796545 129.48761 0.97515199 19.537441 -1.2308309 0.39886465 -1.0870032 2 5.955138
5.91576 415971 1225782 2195508 453259 0 0 0 1 1 5.3017963 3.5911559 8.0383558 5.1302498 6.839076 2.736411 1.3680594 4.2757212 1.8810916 1.3678152 0.030739798 0.020091587 0.032586307 0.020625021 0.023471869 6.3039535e-06 -0.58283445 1.577705 129.46661 0.96944129 19.524991 -1.2311379 0.39919977 -0.53851547 2 5.9608027
5.91938 415978 1227432 2213470 458471 0 0 0 0 1 5.2925412 4.6097929 5.1220554 5.9752086 6.9987898 2.3901799 1.5365976 2.9024981 2.7315239 2.2191285 0.026304377 0.029765816 0.031008381 0.022269449 0.032817503 2.5694671e-06 -0.58963724 1.5744197 129.4522 0.97155992 19.512591 -1.2307788 0.39848575 -0.90756046 2 5.966462
5.92299 415985 1228277 2229095 463182 0 3 0 0 0 5.9755057 7.8536719 5.8052927 3.0733334 6.4869388 3.5853034 2.219516 2.7319025 1.5366667 1.5363802 0.027198763 0.029110404 0.036040121 0.034217224 0.036851543 8.6425005e-06 -0.5959833 1.5712309 129.4354 0.95906313 19.500191 -1.2298851 0.39906337 -0.8833163 2 5.9721159
5.9266 415992 1229263 2245776 468073 1 1 0 1 1 5.7949403 8.180974 7.8401765 5.1137171 6.6455684 3.238349 3.0678652 3.0678951 2.2159441 2.5559879 0.029762329 0.028303805 0.029305683 0.040237815 0.028202166 7.6174363e-06 -0.60263632 1.5681821 129.4168 0.96471748 19.487841 -1.2307966 0.39882089 -0.84453083 2 5.9777645
5.93026 415999 1230164 2261785 472851 0 0 0 1 0 6.1357547 7.3285474 7.8396527 3.9197066 7.8382116 3.5791903 2.045176 2.7268357 2.2154864 2.2151468 0.030586437 0.02691292 0.024513891 0.021460583 0.027499982 1.4382072e-06 -0.60900683 1.5651293 129.3976 0.96400615 19.475341 -1.2311038 0.39887389 -0.83411354 2 5.9834078
5.93389 416006 1230829 2277182 477470 0 0 3 0 1 4.4243857 6.8063668 6.9764087 3.0626833 7.1450074 2.5525302 1.5314325 2.5523446 1.5313416 2.0414307 0.031694611 0.026108043 0.02447493 0.020228866 0.023544592 9.5057884e-06 -0.61525079 1.5621927 129.3802 0.96449318 19.462941 -1.230499 0.39945178 -0.8089844 2 5.9890457
5.93754 416013 1232499 2295712 482747 0 0 0 1 0 4.585747 8.3230314 8.1531963 3.7367329 7.302176 2.8873222 2.378009 3.2273069 2.0382179 2.0378166 0.024776106 0.03378232 0.034087951 0.030087461 0.03251181 1.4874928e-06 -0.62199922 1.5593056 129.3604 0.97493663 19.450491 -1.2306746 0.39927555 -0.7909739 2 5.9946784
5.9412 416020 1233390 2311780 487589 1 1 0 2 0 4.7561708 5.7750442 5.2655677 3.7372361 5.2643859 2.8876751 1.1889797 2.3779983 2.5481155 1.1887323 0.030768581 0.02548406 0.027141409 0.037316492 0.027176053 7.6517039e-06 -0.62825131 1.5563002 129.3442 0.97336335 19.438041 -1.2303151 0.39934191 -0.82114084 2 6.0003057
#F is_anatas_ref
#E 1114092519
#D Tue Apr 26 08:53:02 2005
#C optics User = xasuser
#O0 Slit1Lft Slit1Rgt Slit1Top Slit1Btm Slit1HGap Slit1HOff Slit1VGap Slit1VOff
#O1 Slit2Top Slit2Btm Slit2VGap Slit2VOff Slit3Lft Slit3Rgt Slit3Top Slit3Btm
#O2 Slit3HGap Slit3HOff Slit3VGap Slit3VOff DCM_Bragg DCM_perp DCM_para PicoPitch
#O3 PicoRoll Energy MirrUp MirrDnRgt MirrDnLft MirrHeight MirrPitch MirrRoll
#O4 M3Down M3UpRgt M3UpLft M3Height M3Pitch M3Roll X_Fluo y_Sample
#O5 GI_axis1 GI_axis2 GI_axis3 GI_axis4 GI_axis5 GI_axis6 PicoPitch_NF PicoRoll_NF
#S 1 akscan E 4.966 2.0
#D Tue Apr 26 08:56:23 2005
#T 2 (Seconds)
#G0 0
#G1 0
#G3 0
#G4 0
#H1 7 9 9
#H2 1015 1175.7 1740.6
#H3 611 669 611 669 611 669 611 669 611 669
#Q
#P0 5.25 4.75 1.91875 -0.71875 10 -0.25 1.2 -1.31875
#P1 0.23375 0.76625 1 0.26625 5.36125 1.63875 8.992188 -7.992188
#P2 7 -1.86125 1 -8.4922 24.238791 16.450247 36.537341 70.236
#P3 -77.056 4.81598 12.6155 12.4064 12.3626 12.5 0.35 -0.219
#P4 0.250125 0.583325 -0.083075 0.25 0 -0.87 240 33
#P5 7.085 0 0.25 0 1.448 1.478 38.5 -32.3
#N 36
#L Energy Epoch Ioni1 Ioni2 Ioni3 FluoW_1 FluoW_2 FluoW_3 FluoW_4 FluoW_5 ICR_1 ICR_2 ICR_3 ICR_4 ICR_5 OCR_1 OCR_2 OCR_3 OCR_4 OCR_5 DEAD_1 DEAD_2 DEAD_3 DEAD_4 DEAD_5 FLUO Absorption Reference e-Current Time mono_angle BPM1_5 BPM1_6 Ref_abl Monitor Seconds
4.81599 406066 512370 190603 37270 0 0 0 0 0 3.0482136 2.5401191 7.1123523 1.5242889 6.092808 2.0321424 1.5240715 2.5401258 1.0161926 1.015468 0.02600349 0.023606205 0.02395156 0.03794938 0.027510444 0 0.98885429 1.632004 162.00651 73.203595 24.238741 -1.199903 0.41088386 -2.9984895 2 2
4.82102 406069 512786 194042 38051 0 0 0 0 0 6.6041594 2.0322535 4.5719887 1.5241672 4.5697981 4.5721104 1.5241901 2.5399937 2.5402786 0.50775535 0.0236666 0.033783789 0.020984935 0.03228043 0.0338445 0 0.97178397 1.6291473 161.99511 1.2102761 24.211841 -1.1982801 0.41044033 -0.56794276 2 2
4.82604 406072 512536 197293 38802 0 0 0 0 0 5.5867748 2.0316663 7.6181235 3.0475713 4.5681077 2.5394431 1.5237498 3.0472494 2.0317142 1.015135 0.029589822 0.035093706 0.026990174 0.037490216 0.027034718 0 0.95468102 1.6262181 161.97891 1.1317179 24.185041 -1.1997199 0.41022533 -0.58349075 2 2
4.83104 406075 512279 200656 39577 0 0 0 0 0 2.5401212 3.0484744 5.0798893 2.0319611 7.6159775 2.0320969 1.0161581 1.5239668 2.0319611 2.0309273 0.023260929 0.03417071 0.016373713 0.01653626 0.026596904 0 0.9372774 1.6233439 161.96151 1.1301711 24.158391 -1.2010341 0.4112626 -0.57485682 2 2
4.83603 406078 512302 204065 40369 0 0 0 0 0 5.5905058 9.1476261 8.6392912 4.5736327 8.126809 1.5246834 2.5410073 3.0491616 1.0163628 3.0475534 0.03127555 0.025971343 0.024487765 0.022170952 0.032434593 0 0.92047572 1.6203764 161.94891 1.13062 24.131891 -1.2020231 0.41077805 -0.59467952 2 2
4.84103 406082 512457 207621 41196 0 0 0 0 0 4.5723417 5.0803724 3.5560035 1.523951 6.0925878 2.5401898 1.5241117 2.032002 1.0159673 1.5231469 0.029273568 0.02905012 0.021858394 0.018526643 0.026535162 0 0.9035025 1.6173731 161.93511 1.1300828 24.105391 -1.2031079 0.41032072 -0.60065377 2 2
4.84603 406085 512435 211208 42033 0 0 0 0 0 5.0805542 8.1287248 4.5732395 4.0636035 6.6008852 3.5563879 2.0321812 3.556964 1.0159009 1.5232812 0.029538607 0.027506996 0.045710322 0.0088160736 0.032322563 0 0.88633044 1.6143884 161.92491 1.12958 24.078941 -1.2017468 0.41084628 -0.59694643 2 2
4.85102 406088 512781 215006 42936 0 0 0 0 0 5.0805769 8.1283448 10.161625 3.5562867 6.0926212 2.0322307 1.0160431 4.0646498 1.0160819 1.0154369 0.026959263 0.019807748 0.031469638 0.023607001 0.020892156 0 0.86918292 1.6109553 161.91411 1.1293309 24.052591 -1.2015741 0.4113719 -0.6879972 2 2
4.85603 406091 512358 218406 43750 0 0 0 0 0 1.0161263 1.5241266 8.1285084 4.5729272 6.0926583 1.0161263 1.0160844 3.5562224 1.016206 1.5231646 0.033743158 0.029720625 0.027709365 0.041666235 0.0272256 0 0.85266788 1.6078641 161.90031 1.129806 24.026191 -1.2037552 0.41090088 -0.61700531 2 2
4.86103 406094 512673 222118 44647 0 0 0 0 0 3.5564038 5.5879044 7.1126428 4.0643764 4.5695643 2.0322307 0.50799131 2.0321837 1.5241412 1.0154587 0.032686736 0.019603452 0.030289513 0.030533295 0.028748355 0 0.83642944 1.6044217 161.88291 1.129678 23.999941 -1.2017152 0.41017377 -0.68848937 2 2
4.86603 406097 512533 225753 45558 0 0 0 0 0 5.5883972 4.064383 8.6372387 9.1444288 7.1082876 2.0321444 2.0321915 3.5565101 5.0802382 2.0309393 0.023484904 0.025821316 0.030697329 0.02114847 0.025094942 0 0.81992362 1.6004552 161.86911 1.131134 23.973741 -1.2006357 0.41148127 -0.79328292 2 2
4.87102 406100 512445 229627 46456 0 0 0 0 0 3.5564103 9.1452856 6.60415 3.5568079 8.6336628 1.5241759 1.5242143 1.5240346 2.5405771 2.0314501 0.027771762 0.030291033 0.018446407 0.038885021 0.049967837 0 0.80273713 1.5979506 161.85591 1.132086 23.947641 -1.1992454 0.4107677 -0.50192716 2 2
4.87603 406104 512501 233373 47428 0 0 0 0 0 8.6364471 3.0481906 6.0959118 4.5727812 5.0767678 5.080263 2.5401589 2.0319706 4.0646944 2.0307071 0.024357838 0.025414281 0.017755101 0.036324001 0.016302751 0 0.78666463 1.5934253 161.84211 1.12905 23.921491 -1.1977084 0.4110511 -0.90326646 2 2
4.88102 406107 512067 237176 48343 0 0 0 0 0 5.5869076 4.0629068 6.602984 1.5243527 5.5834524 3.0474042 1.52359 3.0475311 2.0324703 2.5379329 0.023438033 0.016004122 0.027581537 0.066091705 0.022368244 0 0.76965299 1.590481 161.82891 1.1301389 23.895491 -1.2023065 0.41159069 -0.59002255 2 2
4.88602 406110 511954 241002 49284 0 0 0 0 0 4.0641766 3.5566026 8.63756 2.0327508 7.1085604 2.5401103 0.50808608 3.0485506 1.5245631 0.50775432 0.022773354 0.035328814 0.036466517 0.055320017 0.030881065 0 0.75342955 1.5872057 161.81871 1.1284261 23.869541 -1.1989984 0.4113619 -0.65506007 2 2
4.89103 406113 511994 244935 50254 0 0 0 0 0 3.555989 3.5560555 6.0957322 5.0798656 3.5539013 1.0159969 1.0160159 3.0478661 2.5399328 1.0154004 0.021350526 0.023239872 0.017328027 0.019034544 0.023408483 0 0.73732004 1.5839027 161.80551 1.160099 23.843591 -1.2005064 0.41040559 -0.65928623 2 2
4.89602 406116 512020 248917 51289 0 0 0 0 0 5.0807854 3.5565028 6.605162 5.5887209 5.5855085 3.5565498 0.50807183 2.5404469 1.0161311 1.5233205 0.031611644 0.030230126 0.033744899 0.029011116 0.032221907 0 0.72124418 1.5796432 161.79111 1.133014 23.817741 -1.2014655 0.41168648 -0.85361125 2 2
4.90103 406119 511591 252763 52246 0 0 0 0 0 3.0485357 6.0980926 6.0978968 3.048936 6.0932015 1.5242679 2.5408719 1.5244742 1.524468 1.0155336 0.023020137 0.039661351 0.036491586 0.036146142 0.020082052 0 0.70507319 1.576489 161.77731 1.1289432 23.791891 -1.2011354 0.41170016 -0.6295899 2 2
4.90604 406122 511840 257055 53357 0 0 0 0 0 4.0641889 1.5241285 6.096971 5.0815259 5.0776669 3.5561653 1.0160856 2.0323237 1.5244578 2.0310668 0.023078097 0.026938164 0.034353619 0.048473407 0.03347991 0 0.68872201 1.5722849 161.7641 1.13011 23.766141 -1.1991464 0.41194268 -0.83913498 2 2
4.91103 406125 511988 261155 54411 0 0 0 0 0 2.0312528 8.6326597 4.0625651 2.0315211 5.0746254 1.0156264 2.031214 3.0469238 1.5236408 0.50746254 0.031798136 0.029889366 0.033321071 0.045037675 0.023519262 0 0.67318709 1.5685478 161.7533 1.128701 23.740491 -1.1985015 0.41101357 -0.74892388 2 2
4.91602 406129 511836 265387 55492 0 0 0 0 0 5.588345 5.080486 7.6211549 5.0798769 7.6150295 3.5562195 0.5080486 2.032308 1.5239631 0.50766863 0.028602974 0.032015962 0.037663631 0.020090787 0.017703179 0 0.65681512 1.5649503 161.7401 1.120719 23.714891 -1.200431 0.41206598 -0.72093981 2 2
4.91803 406132 511893 266920 55850 0 0 0 0 0 4.5724448 2.0323274 4.5728751 2.0318992 4.5694056 2.5402471 1.5242455 2.5404862 1.5239244 1.0154235 0.026390113 0.03283046 0.035776397 0.011640259 0.020912181 0 0.65116663 1.5642795 161.7263 1.0013399 23.704641 -1.2013903 0.4115808 -0.33373597 2 2
4.92002 406135 511944 268551 56318 0 0 0 0 0 2.0316143 4.0631412 3.5557462 1.5239244 5.0765296 1.5237108 0.50789265 2.031855 1.0159496 1.0153059 0.023417859 0.021244545 0.035198485 0.037432716 0.035034913 0 0.6451744 1.5620266 161.7095 1.009908 23.694441 -1.200151 0.41214823 -1.1320715 2 2
4.92202 406138 511914 270210 56735 0 0 0 0 0 4.5722953 6.0960877 1.0161643 2.5410811 6.0925445 3.0481968 1.0160146 1.5242465 2.0328649 2.0308482 0.025109667 0.020111875 0.034800506 0.061191255 0.022820356 0 0.63895721 1.5608081 161.7005 1.010618 23.684241 -1.1986215 0.41217565 -0.60925498 2 2
4.92402 406141 512068 272111 57201 0 0 0 0 0 3.5564472 6.0966811 4.5728426 2.0326083 5.5855017 1.5241916 1.5241703 2.5404681 1.5244562 1.5233186 0.030899887 0.029396512 0.036771283 0.048249987 0.034454579 0 0.63224736 1.5596387 161.6861 1.0102112 23.674041 -1.1969321 0.41218936 -0.58471984 2 2
4.92603 406144 511971 273752 57677 0 0 0 0 0 3.5566366 5.0805562 5.0813916 2.0322493 6.0930122 2.0323637 2.0322225 1.5244175 3.048374 1.523253 0.034293367 0.027304444 0.043842174 0.028625028 0.028181224 0 0.6260454 1.5573641 161.6723 1.0104952 23.663791 -1.1958125 0.41299972 -1.1316338 2 2
4.92801 406147 511507 275254 58038 0 0 0 0 0 6.0969599 4.0649125 6.0957842 4.5724839 10.15555 4.0646399 1.0162281 2.5399101 2.5402688 2.0311101 0.034881594 0.041606218 0.015621917 0.029680681 0.036159822 0 0.61966696 1.5565963 161.6621 0.99753809 23.653691 -1.1978089 0.41252808 -0.38776121 2 2
4.93002 406150 511445 277017 58512 0 0 0 0 0 5.0787624 7.1093055 5.5856446 3.0465946 5.0752157 2.5393812 0.50780754 3.0467152 2.5388288 0.50752157 0.041911521 0.028306165 0.024122996 0.020082011 0.032733405 0 0.61316118 1.554847 161.6483 1.041738 23.643441 -1.1959379 0.41331115 -0.87031073 2 2
4.93202 406153 511720 278900 58971 0 0 0 0 0 2.0321783 1.016065 6.096302 2.540163 6.0932053 1.5241337 1.5240975 2.0321007 2.540163 2.0310684 0.025678969 0.023301931 0.021879767 0.023301936 0.031774952 0 0.60692431 1.5538075 161.6345 1.050818 23.633291 -1.1961887 0.41333866 -0.51975887 2 2
4.93403 406156 511279 280378 59368 0 0 0 0 0 3.0484446 4.5729169 5.5886062 3.0484607 7.108673 1.5242223 1.0162038 2.5402755 2.0323072 1.5232871 0.027244502 0.032750511 0.023506095 0.027711819 0.025461707 0 0.60077674 1.5523833 161.6249 1.0079238 23.623091 -1.2009182 0.41188218 -0.70853976 2 2
4.93603 406159 511378 282253 59849 0 0 0 0 0 4.0643863 6.6049419 4.572797 3.555872 7.1082544 2.0321932 2.0322898 1.5242657 1.5239451 0.50773245 0.025394795 0.030209852 0.033358956 0.012249849 0.022252869 0 0.59430521 1.5509791 161.6111 1.040211 23.612941 -1.2016158 0.41115383 -0.70211182 2 2
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4.97451 406340 509056 270907 28745 0 0 0 0 0 4.5725443 5.588881 9.1440052 4.0651298 5.0770338 2.0322419 1.0161602 4.5720026 2.0325649 1.5231101 0.03201671 0.035876733 0.020233468 0.047944366 0.027143438 0 0.63078244 2.2433117 160.84308 0.92282486 23.419291 -1.1989199 0.41210576 96.055236 2 2
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4.97551 406346 509371 278524 27070 0 0 0 0 0 4.5723919 1 7.6207151 3.5560627 8.6322319 3.0482613 0.50805542 3.048286 1.5240269 1.523335 0.027344417 0.029680778 0.028157064 0.020619742 0.036017805 0 0.6036724 2.3310781 160.82088 0.92076588 23.414341 -1.2011254 0.41318802 87.004866 2 2
4.97602 406349 509368 278211 25985 0 0 0 0 0 3.5571867 1.5246025 4.0658951 2.5412769 6.0941608 2.0326781 2.0328033 2.0329476 1.5247661 1.5235402 0.022028209 0.028124917 0.035237721 0.038895729 0.019171448 0 0.60479092 2.3708604 160.81128 0.9179759 23.411791 -1.1977741 0.41294494 78.004396 2 2
4.97651 406352 509186 274287 24680 0 0 0 0 0 7.112387 8.128586 8.6369912 5.5880304 8.1230396 3.5561935 1.5241099 3.5564081 3.0480166 1.5230699 0.023890743 0.02571919 0.02996529 0.019035151 0.018231731 0 0.61863837 2.4081818 160.79748 0.94066405 23.409341 -1.2013718 0.41324311 76.166192 2 2
4.97702 406355 509162 267879 23343 0 0 0 0 0 6.0965659 4.0644557 5.0807782 4.064383 6.6022355 3.0482829 0.50805696 3.0484669 1.5241436 3.5550499 0.019930629 0.021799883 0.025924401 0.020093167 0.044183807 0 0.64223085 2.4402382 160.78428 0.92119098 23.406791 -1.2033158 0.4137431 62.855742 2 2
4.97751 406358 509335 259652 22046 0 0 0 0 0 5.5892661 4.0647011 5.5887515 3.0483845 4.0623868 2.0324604 1.0161753 3.0484099 3.5564486 0.50779836 0.033909093 0.028443646 0.024725482 0.023953395 0.032426472 0 0.67376368 2.4662111 160.77048 0.92207503 23.404341 -1.1973182 0.41352757 53.005838 2 2
4.97801 406361 508811 249622 20770 0 0 0 0 0 4.5706085 5.5855573 6.0931657 5.078975 6.5965122 2.539227 1.0155559 2.538819 3.5552825 0.50742401 0.035799268 0.022518788 0.019757094 0.045993181 0.017207692 0 0.71212886 2.4864381 160.76028 0.88884497 23.401841 -1.1999023 0.41354135 40.454085 2 2
4.97852 406364 508852 239917 19719 0 0 0 0 0 4.0625676 9.6485333 5.5861495 2.0312153 7.10465 2.0312838 2.5390877 2.0313271 2.0312153 0.507475 0.025058592 0.024368134 0.027129999 0.021768719 0.018670425 0 0.75186418 2.4987104 160.74768 0.91994023 23.399341 -1.1977967 0.41359651 24.063248 2 2
4.97902 406367 508474 230439 18813 0 0 0 0 0 3.5565173 6.0963429 5.0804571 3.0481504 4.5695986 2.0322956 2.5401429 1.5241371 1.5240752 1.5231995 0.031509804 0.02261115 0.025922763 0.021900075 0.02533845 0 0.7914279 2.5054381 160.73508 0.91970301 23.396841 -1.2001086 0.41386726 13.455346 2 2
4.97951 406370 508688 223337 18112 0 0 0 0 0 4.064516 6.0960542 5.0807638 4.0651918 5.585226 3.048387 2.5400226 2.0323055 1.5244469 1.0154956 0.03161077 0.019705523 0.03390651 0.04820908 0.030129661 0 0.82315302 2.5121071 160.72428 0.92074895 23.394391 -1.1998803 0.41465204 13.610356 2 2
4.98001 406373 508743 219427 17681 0 0 0 0 0 4.0642757 4.5726679 4.5717323 3.048208 4.5691198 2.5401723 1.0161484 1.5239108 1.524104 1.5230399 0.022530163 0.030372441 0.0099946869 0.022550484 0.013785519 0 0.84092337 2.518529 160.71408 0.91785097 23.391891 -1.2021512 0.41419329 12.843694 2 2
4.98051 406375 508501 216757 17370 0 0 0 0 0 2.5405667 5.0805944 6.6048868 1.5243685 7.6156048 1.52434 0.50805944 3.0484093 2.0324914 1.015414 0.037646015 0.027040602 0.028747226 0.03947455 0.01798873 0 0.85269027 2.5240323 160.69788 0.92294383 23.389391 -1.1978591 0.41374825 11.006687 2 2
4.98101 406378 508906 211367 16940 0 0 0 0 0 4.0648498 4.5727682 5.0801701 4.5717611 10.663709 3.5567435 2.0323414 1.524051 2.0318938 3.5545697 0.040265273 0.03612081 0.022630947 0.0141185 0.039997126 0 0.87866736 2.5239183 160.68828 0.91975999 23.386941 -1.1964286 0.41377585 -0.22812061 2 2
4.98151 406381 508722 200467 16246 0 0 0 0 0 5.5882677 13.717348 6.0954188 3.5560006 6.5999348 2.5401217 2.5402497 2.0318063 3.5560006 0.50768729 0.024134322 0.029233638 0.0097708648 0.01940067 0.019997711 0 0.93125205 2.5128029 160.67328 0.92249799 23.384441 -1.1989497 0.41403292 -22.2307 2 2
4.98201 406384 508771 185056 15309 0 0 0 0 0 3.5561848 6.0969029 6.0954907 2.5404258 3.554574 1.5240792 1.5242257 3.0477453 1.0161703 0.50779629 0.021879821 0.031448957 0.0082473818 0.033338423 0.037419567 0 1.0113395 2.4922176 160.66308 0.88681102 23.381941 -1.1981888 0.41381726 -41.170658 2 2
4.98251 406387 508684 170466 14441 0 0 0 0 0 5.0802733 6.0964011 7.112004 3.5560555 6.601144 2.0321093 2.0321337 2.5400014 3.0480476 2.0311212 0.024154775 0.025211253 0.018669436 0.020254084 0.036383281 0 1.0932911 2.4684645 160.64988 0.91913891 23.379491 -1.1993679 0.41396185 -47.506222 2 2
4.98301 406390 509068 158420 13731 0 0 0 0 0 3.556818 4.5724337 5.0803043 4.5724718 5.5860043 1.5243506 1.0160964 1.5240913 1.5241573 1.5234557 0.030070304 0.016578775 0.013185563 0.017350891 0.032366864 0 1.1673319 2.4455937 160.63728 0.92150092 23.376991 -1.1996196 0.41437291 -45.741593 2 2
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4.98451 406399 508562 124022 11804 0 0 0 0 0 4.0632023 9.142506 5.0790327 4.5708574 3.0459518 2.0316011 2.031668 3.0474196 2.0314922 0.50765863 0.026889998 0.030139698 0.027438394 0.021588931 0.040757354 0 1.4111282 2.3520205 160.60308 0.91988611 23.369541 -1.1958439 0.41430401 -71.098962 2 2
4.98501 406402 508600 114417 11318 0 0 0 0 0 4.0639486 1.5241913 7.6209551 2.5401031 6.5998611 3.555955 1.0161276 2.5403184 3.0481237 1.5230449 0.018933247 0.032687128 0.032646503 0.024256011 0.023001671 0 1.4918122 2.3134553 160.58988 0.92480397 23.367041 -1.1968749 0.41481666 -77.130443 2 2
4.9855 406405 508294 107231 10996 0 0 0 0 0 4.5723705 4.0643236 2.5403922 2.0325802 6.6008691 3.048247 1.5241213 1.5242353 1.5244352 1.5232775 0.024399174 0.024297581 0.03183505 0.044878378 0.029907054 0 1.5560746 2.2774538 160.57968 0.92574596 23.364591 -1.1964457 0.41559953 -73.472398 2 2
4.98602 406408 508155 102031 10788 0 0 0 0 0 4.0646878 6.6045177 5.0805944 1.0161152 6.6006439 3.5566019 2.5401991 1.5241783 1.5241728 2.0309674 0.030068478 0.020986632 0.024887549 0.024501525 0.021989371 0 1.6055098 2.2468423 160.56648 0.920187 23.362041 -1.1968822 0.41612614 -58.868331 2 2
4.98653 406412 774656 152638 16435 0 0 0 0 0 3.0020141 4.0024842 6.3373317 1.6677376 8.3350336 1.3342285 2.3347824 2.3348064 1.33419 1.6670067 0.029863287 0.024821412 0.025821792 0.02691554 0.023531428 0 1.62435 2.2286559 160.54608 0.90457343 23.359491 -1.1966625 0.41492706 -35.65958 2 3.0473795
4.98708 406416 778935 156114 16774 0 0 0 0 0 5.9837075 4.3218326 8.6441112 1.3297073 7.3104739 2.6594256 0.99734598 2.9921923 1.6621341 1.6614713 0.02193428 0.028062919 0.033260944 0.021575325 0.021938731 0 1.6073411 2.2307564 160.53288 0.89166454 23.356791 -1.1964389 0.41523873 3.8191696 2 3.0670054
4.98761 406420 784677 163061 17316 0 0 0 0 0 3.9501101 3.2918758 6.9132315 3.6206305 5.5933792 2.6334067 0.32918758 1.6460075 2.3040376 1.3160892 0.030168568 0.033735758 0.037974259 0.021757378 0.022380499 0 1.5711478 2.2424934 160.51608 0.90330357 23.354141 -1.1958339 0.41550901 22.14527 2 3.0865064
4.98816 406424 789025 169543 17788 0 0 0 0 0 4.9210163 5.2491233 6.2340588 5.24966 4.9190888 2.624542 2.2964915 2.6248669 0.6562075 0.98381776 0.021279338 0.022014057 0.033651421 0.032221358 0.022883753 0 1.5376914 2.2545825 160.49988 0.89907908 23.351391 -1.1931911 0.41530782 21.980136 2 3.105885
4.98872 406428 793933 174353 18144 0 0 0 0 0 2.6080896 2.6082318 6.1934085 2.9339631 5.2144372 1.3040448 1.3041159 1.6298443 1.3039836 1.6295116 0.029513693 0.034923895 0.016542274 0.024820517 0.035496544 0 1.5159171 2.2627421 160.48308 0.90039161 23.348641 -1.1952365 0.41561964 14.570612 2 3.1251435
4.98927 406432 799574 178385 18464 0 0 0 0 0 2.2668857 5.5052783 4.8573782 3.5630886 4.5323237 1.9430449 0.97151969 1.9429513 1.9435029 0.97121222 0.02709049 0.026753801 0.022208308 0.050620878 0.033319729 0 1.5001349 2.2681212 160.46808 0.90587903 23.345891 -1.1946375 0.41494674 9.7803516 2 3.144284
4.98985 406436 804069 181693 18707 0 0 0 0 0 5.1481164 8.0434816 3.8614133 5.1496806 5.46765 2.5740582 0.96521779 1.9307067 2.8966953 0.96487941 0.030517845 0.024895251 0.038971041 0.06090818 0.028821119 0 1.4873666 2.2734207 160.44768 0.89922445 23.343041 -1.194993 0.41622971 9.1369288 2 3.1633087
4.99042 406440 808302 184340 18922 0 0 0 0 0 1.9181745 3.5164342 7.672645 2.877158 7.9892674 1.5984787 1.5983792 3.1969354 1.5984211 1.2782828 0.02867371 0.02252451 0.028034487 0.025106919 0.028317557 0 1.4781539 2.2764566 160.42908 0.90737448 23.340191 -1.1951943 0.41624357 5.3262246 2 3.1822196
4.991 406444 812972 187426 19176 0 0 0 0 0 5.4001614 2.541051 7.3059337 2.8586257 6.9852862 2.858909 0.95289411 2.8588436 1.5881254 1.270052 0.02739873 0.019446794 0.02508683 0.01747786 0.022270583 0 1.4673126 2.2797246 160.41168 0.90289991 23.337341 -1.1926913 0.4159731 5.634468 2 3.2010189
4.9916 406448 817159 190964 19439 0 0 0 0 0 6.0165743 3.7999662 5.0660858 3.4830147 6.3305787 3.166618 0.94999155 1.8997822 2.2164639 0.9495868 0.030477738 0.031110873 0.02057557 0.022867508 0.026959826 0 1.4537488 2.2848036 160.39908 0.89565262 23.334391 -1.1964425 0.41601465 8.4649459 2 3.2197084
4.99218 406452 822606 194318 19745 0 0 0 0 0 3.1465483 8.1807909 7.8670263 2.8323509 7.5490005 1.2586193 1.573229 2.8321295 2.2029396 1.8872501 0.023755919 0.02091211 0.032098579 0.039887591 0.025847475 0 1.4429814 2.2865957 160.37747 0.89262091 23.331491 -1.1950273 0.41605621 3.0898731 2 3.23829
4.99279 406456 826396 195500 19901 0 0 0 0 0 6.253839 4.3780367 4.6905289 4.6902678 4.3760092 2.5015356 1.8763014 1.5635096 3.4395297 0.62514417 0.026358067 0.034310862 0.029546685 0.024007238 0.025935586 0 1.4415137 2.2847904 160.36187 0.89198738 23.328491 -1.1929716 0.41562594 -2.959508 2 3.2567656
4.99339 406460 831344 194752 19952 0 0 0 0 0 4.9719853 5.9042032 9.3227494 4.0396979 7.7659315 2.4859926 0.93224261 2.4860665 2.7967139 0.93191178 0.026504916 0.026020273 0.029450044 0.025535629 0.028246416 0 1.4513167 2.2783976 160.34327 0.89725211 23.325491 -1.1945603 0.41615321 -10.654721 2 3.2751369
4.99401 406465 835854 192300 19851 0 0 0 0 0 4.3236597 4.3234664 5.5593709 4.9408261 8.6440818 2.7794955 0.92645708 1.8531236 1.8528098 2.1610205 0.027156391 0.022722747 0.034022956 0.01707882 0.027195594 0 1.4693973 2.2708023 160.32767 0.89459796 23.322441 -1.1955539 0.41593805 -12.250478 2 3.2934058
4.99464 406469 840467 190788 19789 0 0 0 0 0 4.6176835 7.6963438 8.3119408 1.53945 4.9236968 3.0784556 1.231415 2.7706469 1.84734 1.2309242 0.025543487 0.028227208 0.026836118 0.039996212 0.025103382 0 1.4827948 2.2660366 160.30787 0.8901332 23.319341 -1.1962222 0.41650704 -7.5644964 2 3.3115739
4.99525 406473 845287 191778 19810 0 0 0 0 0 3.6718546 1.8361022 5.5078231 3.0601144 5.5059671 1.8359273 0.61203405 1.5299509 1.5300572 0.91766119 0.022893722 0.032413885 0.023664629 0.030578382 0.026958565 0 1.4833378 2.2701516 160.29287 0.88908612 23.316291 -1.1944044 0.41638288 6.7458298 2 3.3296429
4.99589 406477 850125 193872 19857 0 0 0 0 0 6.692169 7.6047005 9.4301717 5.4757888 7.9062238 2.1293265 1.8251281 3.0419909 1.216842 1.5204277 0.026115804 0.025677873 0.029327188 0.033073822 0.028866458 0 1.4781853 2.2786416 160.27427 0.89421075 23.313141 -1.1948066 0.41633466 13.265571 2 3.3476144
4.99655 406482 854116 194657 19766 0 0 0 0 0 3.6277199 3.6277226 7.2549995 3.3252849 5.1369678 1.81386 0.90693064 2.1160415 1.5114931 0.90652373 0.032105934 0.032214719 0.026001242 0.02838266 0.025133438 0 1.478828 2.2872757 160.25627 0.8961302 23.309891 -1.1914805 0.41634848 13.082103 2 3.3654898
4.9972 406486 859512 194501 19615 0 0 0 0 0 4.8077755 3.0048647 8.4130378 3.3053309 4.5057168 2.1034018 1.5024324 2.1032594 1.5024232 0.30038112 0.028080372 0.028176521 0.021339355 0.02759974 0.029823787 0 1.4859275 2.2941427 160.23647 0.90598807 23.306691 -1.1933925 0.41686035 10.564584 2 3.3832709
4.99785 406490 862811 193018 19318 0 0 0 0 0 4.7934519 3.8949588 7.7894265 3.2953406 5.6899024 2.3967259 0.89883664 3.5951199 1.4978821 1.4973427 0.025337787 0.032502182 0.026224344 0.020521595 0.021029079 0 1.4974122 2.3017461 160.22387 0.88883095 23.303441 -1.1902165 0.41690188 11.69757 2 3.400959
4.99852 406494 866686 191849 19107 0 0 0 0 0 3.5740482 5.3607217 6.5526099 2.9780645 6.5503054 2.6805362 0.29781787 2.3827672 2.0846451 0.59548231 0.032666871 0.026128499 0.035513274 0.022210258 0.03651238 0 1.5079681 2.3066538 160.20047 0.88994858 23.300141 -1.1930615 0.4171717 7.3249241 2 3.4185555
4.99919 406499 871155 191768 18957 0 0 0 0 0 5.9207942 5.0328371 5.6250575 4.7370706 7.1024929 2.6643574 1.7762955 2.3684453 2.9606691 0.59187441 0.028410569 0.031642401 0.033761459 0.037573364 0.029784915 0 1.5135336 2.3141131 160.18367 0.89588011 23.296841 -1.1908048 0.41718555 11.133145 2 3.436062
4.99987 406503 875835 193045 18953 0 0 0 0 0 3.8370226 1.1805515 4.7223293 3.8363985 4.4256727 1.4757779 0.88541365 2.9514558 2.065753 0.29504485 0.037092028 0.031155682 0.033693101 0.020829087 0.037160668 0 1.5122544 2.3209611 160.16387 0.92961726 23.293491 -1.1887738 0.41697111 10.070648 2 3.4534797
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5.86944 409348 1862686 4634603 908336 0 0 1 0 0 4.8073829 8.1854231 6.1063433 3.2482135 6.3657021 2.8584439 2.4686197 3.1181328 2.4686422 1.0392983 0.031239657 0.029758927 0.025805113 0.03066815 0.034647421 1.0513491e-06 -0.91153101 1.6296915 149.53944 0.92121374 19.685441 -1.2186877 0.41396832 -0.87371665 2 7.8489822
5.87293 409357 1863516 4667858 917547 1 0 0 1 0 5.9688536 6.4877211 7.1369406 5.1903611 7.1351093 3.7629729 2.2058252 3.3738265 2.9844576 2.0756681 0.0289368 0.026415042 0.032688307 0.029958998 0.023458755 1.7844426e-06 -0.91823527 1.6267518 149.50944 0.92204131 19.673241 -1.2152404 0.41382587 -0.84232069 2 7.8566228
5.87649 409366 1864378 4699319 926789 0 0 0 0 0 5.9611409 8.9421363 9.2012667 4.1469831 6.9965844 3.3693405 3.1103083 3.1102873 3.6286102 2.2026284 0.028832071 0.033573701 0.032900027 0.031283213 0.027013896 0 -0.92449012 1.623447 149.47704 0.92653602 19.660841 -1.2182134 0.41342615 -0.92831697 2 7.864256
5.88001 409374 1867040 4735859 936960 1 0 0 0 0 4.7886214 4.1414568 7.6355279 3.1061445 6.9872748 2.9767106 1.8118873 4.0118876 1.682495 1.5527277 0.029301783 0.027987244 0.024281678 0.029679585 0.02386891 8.6162892e-07 -0.93080884 1.6202778 149.44284 0.9303472 19.648591 -1.217994 0.41366398 -0.90032603 2 7.8718817
5.88354 409383 1868444 4771280 946946 0 2 0 0 1 5.5651834 5.3059797 7.7650104 5.1774645 8.1523084 2.7178803 2.3294545 3.8825052 2.2004224 2.5880344 0.030114227 0.023391435 0.025482277 0.040734055 0.030574871 4.1240495e-06 -0.93750861 1.6171278 149.40804 0.92334895 19.636291 -1.2167513 0.41363357 -0.89234843 2 7.8795001
5.88709 409392 1870378 4807615 957135 0 1 1 0 0 6.8505059 4.6531007 8.1431914 4.5240376 6.7200792 4.2654093 2.0680447 4.1362242 2.1973897 1.5507875 0.029263899 0.027713289 0.030974724 0.031879252 0.028829995 2.2555601e-06 -0.94406057 1.614012 149.37564 0.93149907 19.623991 -1.2174187 0.41466645 -0.87771029 2 7.8871111
5.89068 409401 1870231 4837158 966155 0 0 0 1 0 4.9053509 6.9709422 7.1001199 4.2604109 8.0027661 2.7108518 2.5818304 3.4855134 2.5820672 3.2269218 0.02848822 0.031079571 0.032256532 0.040226743 0.035704231 8.8224396e-07 -0.95026541 1.6107584 149.34684 0.92304328 19.611541 -1.2173977 0.41375195 -0.90629261 2 7.8947148
5.89424 409410 1872156 4874092 976560 0 2 0 0 2 5.8014714 9.0242565 6.5749989 3.7384469 8.5085264 3.8676476 3.9964565 2.836274 3.222799 2.5783413 0.02792576 0.025121206 0.027920598 0.02047617 0.040426344 5.9376083e-06 -0.95684312 1.6076529 149.31204 0.93083373 19.599191 -1.2159219 0.41357635 -0.87231546 2 7.9023112
5.89781 409418 1873419 4908713 986590 2 0 0 1 0 5.5433878 8.3793665 7.4774081 3.6097015 7.4761971 3.7385639 3.2228333 3.3519416 2.1916045 2.3201991 0.024852814 0.02275459 0.028600759 0.026311787 0.028745567 2.4621166e-06 -0.96324669 1.6045125 149.28263 0.9177968 19.586841 -1.2191626 0.41316887 -0.87966441 2 7.9099002
5.90137 409427 1875225 4945163 996987 1 0 0 0 0 5.665216 5.5364138 7.3389773 3.9913344 7.3382332 3.6051375 2.060061 4.1201276 2.4463017 2.3173368 0.028234534 0.027395285 0.027524006 0.026571481 0.033686706 8.3799468e-07 -0.96968127 1.6014275 149.24723 0.92466006 19.574541 -1.2191045 0.41293086 -0.86658428 2 7.917482
5.90495 409436 1876930 4982587 1007728 1 1 1 0 0 5.7867036 5.0146012 6.6865823 5.1435534 7.1998375 3.3434287 1.2857952 3.4718793 2.314599 2.185665 0.033447646 0.022659693 0.029349455 0.029909933 0.030434593 4.0260932e-06 -0.97631177 1.5982509 149.21423 0.92357241 19.562191 -1.2169488 0.41337799 -0.88729979 2 7.9250566
5.90855 409445 1878332 5017966 1017953 1 0 1 0 1 4.3666928 3.9810303 6.8062304 3.0819412 7.4477194 2.8255071 1.2842033 3.8525833 2.0546275 2.3113612 0.034535147 0.025357984 0.024680092 0.020581962 0.03273753 3.4788011e-06 -0.98264052 1.5952309 149.18603 0.92928812 19.549791 -1.2141121 0.41315514 -0.83889386 2 7.9326239
5.91216 409454 1878893 5041907 1026679 0 0 0 0 0 6.2846369 6.669282 6.2846495 5.0026662 8.0790977 3.9759948 2.8216193 3.0781957 2.6937434 2.3083136 0.026982141 0.025084428 0.027187297 0.039163343 0.029439115 0 -0.98710161 1.5914551 149.15243 0.94360793 19.537391 -1.2148561 0.4139015 -1.0459451 2 7.940184
5.91576 409463 1880218 5088205 1038812 0 0 0 2 0 6.2845196 6.5412427 7.0542241 4.3607853 7.1817517 3.591154 2.8217125 4.1042759 2.949943 2.1801746 0.024858827 0.028090065 0.027284819 0.027100179 0.034177415 1.5724356e-06 -0.99553739 1.5888474 149.11343 0.93375714 19.524991 -1.2145075 0.41453785 -0.72436076 2 7.9477369
5.91936 409472 1882590 5128608 1050313 1 0 2 1 0 5.5083892 5.3796029 7.301838 4.8677773 7.6847978 4.0992664 2.4336299 3.2025605 3.2024851 2.4335193 0.031537861 0.018808533 0.031783747 0.029453016 0.030426493 3.9433706e-06 -1.0021858 1.5857461 149.08103 0.93095236 19.512641 -1.2148441 0.41459287 -0.86147256 2 7.9552826
5.92299 409481 1884156 5166373 1061422 0 0 0 1 0 5.6289591 5.8848456 7.2921099 4.0935467 7.0352423 3.8379267 1.9189714 2.9424303 2.5584667 2.046616 0.026248475 0.026662864 0.026928888 0.020339621 0.028755747 8.4918659e-07 -1.0086909 1.5825614 149.05103 0.93615391 19.500191 -1.2159306 0.41444715 -0.87732395 2 7.9628212
5.92662 409489 1885079 5202570 1072107 0 2 1 0 0 5.2452091 6.6525706 6.5244777 6.3969847 6.2677488 3.4541621 2.558681 3.1982734 3.9661305 1.5349589 0.028831491 0.03048901 0.028059003 0.034893718 0.030427805 3.8406878e-06 -1.015183 1.5795269 149.01623 0.92151329 19.487791 -1.2190128 0.41451594 -0.83595406 2 7.9703527
5.93024 409498 1885897 5238583 1083055 1 0 1 1 0 6.005338 6.3878644 7.026922 4.9826277 7.1539168 3.9609676 2.8106603 3.5773421 2.427434 2.0439762 0.032483543 0.020083353 0.023930632 0.021948237 0.029423429 2.933907e-06 -1.0216475 1.5762653 148.98263 0.92254698 19.475391 -1.215708 0.41437014 -0.90098697 2 7.977877
5.93387 409507 1887109 5275418 1093748 1 0 0 0 0 5.2320068 5.9973198 5.3590138 4.7214095 7.1446013 3.317858 2.8072561 2.6795069 3.3177472 1.9137325 0.032253318 0.026456599 0.020996652 0.028895714 0.026687 8.3562904e-07 -1.0280119 1.5734476 148.95023 0.96354075 19.462991 -1.216892 0.41422427 -0.77622659 2 7.9853943
5.93753 409516 1888770 5314904 1105438 0 1 0 0 0 7.0092866 8.0285553 6.6274859 4.9702536 8.027752 4.4604551 2.5487477 3.5686463 3.0586176 2.5484927 0.027910939 0.024634054 0.035810114 0.028558162 0.030785337 1.667752e-06 -1.0345891 1.5702733 148.91723 0.92883368 19.450541 -1.2182248 0.41432059 -0.86728819 2 7.9929045
5.94118 409525 1890070 5354382 1117378 1 0 0 1 1 7.0095432 7.5182355 6.2448807 3.4410472 7.0078952 4.4606184 3.3131207 3.8233964 2.8038163 2.4209092 0.033623134 0.019094051 0.033867747 0.033582367 0.027604864 3.0122896e-06 -1.0413014 1.5669304 148.88183 0.92289647 19.438091 -1.2161417 0.41443073 -0.91586061 2 8.0004076
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Hi All:
I am in need of various Ti-O reference spectra. Does anyone have any such
available?
Thanks,
Carlo
--
Carlo U. Segre -- Professor of Physics
Associate Dean for Special Projects, Graduate College
Illinois Institute of Technology
Voice: 312.567.3498 Fax: 312.567.3494
segre(a)iit.edu http://www.iit.edu/~segre segre(a)debian.org
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Hello,
I have used FEFF 8.4 in my diploma-thesis and now I'm writing some
\subsections about FEFF in order to give an overview of "the substructure"
(or in other words the models, algorithms, theories,... whereupon FEFF
bases) of FEFF. Can you give me some (3 or 4) catchwords regarding the
most important modells of FEFF, so that I get a direction for further
investigation?
I'm a little bit confused with the several descriptions of FEFF and
whereupon it's based on (for example some expressions/catchwords I found):
ab initio self-consistent real space multiple scattering approach
all-electron, real space relativistic Green's function formalism
FMS based on LU or Lanczos algorithm
high-order path expansion based on the Rehr-Albers MS-formalism
Muffin-Tin Potential
SCF Hartree-Fock method
Dirac-Hara or Hedin-Lundquist exchange model
...
In all papers I found, the authors refer to FEFF shortly. Is there a paper
directly about FEFF?
I hope you understand my request. Thank you very much for your help and time.
sincerely yours,
Eckhard
---------------------------------
Eckhard Bosman
e.bosman(a)stud.uni-goettingen.de
+49 (0)551-39-14441
Raum: E0.104
Institut für Röntgenphysik
Friedrich-Hund-Platz 1
37077 Göttingen
Germany
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Dear
I study a binary alloy (Fe98.7Cu1.3) where a phase change from bcc to fcc is evident (at the Cu K edge of course) and it depends on the annealing time. I have 4 samples A,B,C,D, where the A shows a perfect bcc structure, while the D a clear fcc structure. B and C have structure that is a mix between the fcc and bcc. I found very interesting to perform some linear fit simulations using the A and D of the XANES and EXAFS of the samples B and C. so for instance it is possible to get the xanes of the B sample as linear combinations of A and D according to
BXANES = x*AXANES+(1-x)*DXANES and for the EXAFS
BEXAFS = y*AEXAFS+(1-y)*DEXAFS
The simulations work perfectly but:
1- Of course I expect that x=y (am I wrong?). but this is not true according to the values that the linear fit provide me. There is a small but significant difference as x=48±2% and y=44±2%. Does this difference have any physical meaning? Is the error a bit too small (so should I increase it?)
2- For the sample C, I got an amazing simulation adding some noise (0.001), but when I try to export the data (operation: "Write a report") I cannot get the data corrected with the noise (I can get only 6 columns: k, data, fit, residual, sample D, sample A). Is there any way to get the data from the data+noise curve?
Best regards
Sebastiano Cammelli
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Hi Gemma,
I don't know what that error message from Feff means either, so I am
forwarding this along to the Ifeffit mailing list in hopes that
someone else -- maybe someone from John's group -- can explain.
If I had to guess, I would say that there was a problem constructing
the muffin tins either because the atom list is so short or because
the atoms are too far apart. The muffin tin algorithm does presume
that the atoms will not be separated by unphysically large distances,
as the last three atoms in your list are.
It would seem that you are using some version of Feff8 -- is that
correct? It woul have been helpful had you identified the version of
Feff you are using and had you captured the screen output from Feff to
a file. It usually helps you receive the answer you are looking for
if you provide as much context as possible.
B
---------- Forwarded Message ----------
Subject: Feff calc
Date: Thursday 05 June 2008
From: "Gemma Guilera" <gguilera(a)cells.es>
To: bravel(a)anl.gov
Dear Bruce,
I was trying to run a FEFF calculation (herein attached) and I got a message
telling me to ask you to INCREASE NOVP.
To be honest, I don't know what is this and why it could not run (maybe
there is something wrong on the feff.inp file or maybe it is correct that I
need to increase such 'NOVP'), but here I am.
I would be really grateful if you could give me a hand so I can continue
with my calculations.
Thanks a lot and have a nice day,
Gemma
* This feff6 input file was generated by Atoms 3.0.1
* Atoms written by and copyright (c) Bruce Ravel, 1998-2001
* -- * -- * -- * -- * -- * -- * -- * -- * -- * -- * -- * -- * -- *
* total mu*x=1: 500.60 microns, unit edge step: 622.91 microns
* specific gravity = 0.620
* -- * -- * -- * -- * -- * -- * -- * -- * -- * -- * -- * -- * -- *
* Normalization correction: 0.00020 ang^2
* -- * -- * -- * -- * -- * -- * -- * -- * -- * -- * -- * -- * -- *
* -----------------------------------------------------------------
* The following crystallographic data were used:
*
* title [Rh(CO)2ClO]
* space = P 21/c
* a = 9.3680 b = 13.410 c = 18.2710
* alpha = 90.0 beta = 100.840 gamma = 90.0
* core = Rh1 edge = K
* atoms
* ! elem x y z tag occ
* Cl -0.04060 0.19680 0.13880 Cl1 1.00000
* C 0.20930 0.30400 0.12200 C1 1.00000
* C 0.38680 0.16870 0.12690 C2 1.00000
* O 0.20900 0.39270 0.11250 O1 1.00000
* O 0.51520 0.16150 0.12900 O2 1.00000
* O 0.19020 0.02390 0.13770 O3 1.00000
* Rh 0.20210 0.17610 0.13090 Rh1 1.00000
* -----------------------------------------------------------------
TITLE [Rh(CO)2ClO]
* Rh K edge (23220.0 eV), second number is S0^2
EDGE K
S02 1.0
* pot xsph fms paths genfmt ff2chi
CONTROL 1 1 1 1 1 1
PRINT 1 0 0 0 0 3
*** ixc=0 means to use Hedin-Lundqvist
* ixc [ Vr Vi ]
EXCHANGE 0
* r_scf [ l_scf n_scf ca ]
SCF 4.0 1
RMAX 7.0
EXAFS
POTENTIALS
* ipot Z element
0 45 Rh
1 17 Cl
2 6 C
3 8 O
ATOMS * this list contains 10 atoms
* x y z ipot tag distance
0.00000 0.00000 0.00000 0 Rh1 0.00000
0.06625 -1.71514 -0.17530 2 C1_1 1.72535
1.69939 0.09923 -0.39849 2 C2_1 1.74830
-0.10949 2.04100 0.14521 3 O3_1 2.04909
-2.23304 -0.27759 0.57193 1 Cl1_1 2.32177
0.06349 -2.90461 -0.34834 3 O1_1 2.92611
2.88078 0.19579 -0.58634 3 O2_1 2.94636
-3.60949 2.68200 -4.21643 3 O3_2 6.16440
-6.32006 0.19579 1.17547 3 O2_2 6.43142
-1.48594 5.00059 -4.64316 1 Cl1_2 6.98376
END
-------------------------------------------------------
--
Bruce Ravel ------------------------------------ bravel(a)bnl.gov
National Institute of Standards and Technology
Synchrotron Methods Group at NSLS --- Beamlines U7A, X24A, X23A2
Building 535A
Upton NY, 11973
My homepage: http://xafs.org/BruceRavel
EXAFS software: http://cars9.uchicago.edu/~ravel/software/exafs/
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