diff --git a/stochastic_triples.bib b/stochastic_triples.bib index da5b96d..86d7d53 100644 --- a/stochastic_triples.bib +++ b/stochastic_triples.bib @@ -53,3 +53,125 @@ doi = {10.1016/j.amc.2014.02.051} } +@article{villa_2011, + author = {Villa, M. and Senent, M. L. and Dominguez-Gomez, R. and Alvarez-Bajo, O. and Carvajal, M.}, + title = {{CCSD(T) Study of Dimethyl-Ether Infrared and Raman Spectra}}, + journal = {J. Phys. Chem. A}, + volume = {115}, + number = {46}, + pages = {13573--13580}, + year = {2011}, + month = nov, + issn = {1089-5639}, + publisher = {American Chemical Society}, + doi = {10.1021/jp2062223} +} + +i@article{watson_2016, + author = {Watson, Peter D. and Yong, Hai-wang and Lapere, Kim M. L. and Kettner, Marcus and McKinley, Allan J. and Wild, Duncan A.}, + title = {{Anion photoelectron spectroscopy and CCSD(T) calculations of the Cl{-}{$\cdots$}N2 complex}}, + journal = {Chem. Phys. Lett.}, + volume = {654}, + pages = {119--124}, + year = {2016}, + month = jun, + issn = {0009-2614}, + publisher = {North-Holland}, + doi = {10.1016/j.cplett.2016.04.073} +} + +@article{dontgen_2015, + author = {D{\"{o}}ntgen, Malte and Przybylski-Freund, Marie-Dominique and Kr{\"{o}}ger, Leif C. and Kopp, Wassja A. and Ismail, Ahmed E. and Leonhard, Kai}, + title = {{Automated Discovery of Reaction Pathways, Rate Constants, and Transition States Using Reactive Molecular Dynamics Simulations}}, + journal = {J. Chem. Theory Comput.}, + volume = {11}, + number = {6}, + pages = {2517--2524}, + year = {2015}, + month = jun, + issn = {1549-9618}, + publisher = {American Chemical Society}, + doi = {10.1021/acs.jctc.5b00201} +} + +@article{zhang_2019, + author = {Zhang, Igor Ying and Gr{\"{u}}neis, Andreas}, + title = {{Coupled Cluster Theory in Materials Science}}, + journal = {Front. Mater.}, + volume = {6}, + pages = {432749}, + year = {2019}, + month = jun, + issn = {2296-8016}, + publisher = {Frontiers}, + doi = {10.3389/fmats.2019.00123} +} + +@article{stanton_1997, + author = {Stanton, John F.}, + title = {{Why CCSD(T) works: a different perspective}}, + journal = {Chem. Phys. Lett.}, + volume = {281}, + number = {1}, + pages = {130--134}, + year = {1997}, + month = dec, + issn = {0009-2614}, + publisher = {North-Holland}, + doi = {10.1016/S0009-2614(97)01144-5} +} + +@article{castaneda_2012, + author = {Casta{\~{n}}eda, Romina and Iuga, Cristina and {\'{A}}lvarez-Idaboy, J. Ra{\'{u}}l and Vivier-Bunge, Annik}, + title = {{Rate Constants and Branching Ratios in the Oxidation of Aliphatic Aldehydes by OH Radicals under Atmospheric Conditions}}, + journal = {J. Mex. Chem. Soc.}, + volume = {56}, + number = {3}, + pages = {316--324}, + year = {2012}, + month = sep, + issn = {1870-249X}, + publisher = {Sociedad Qu{\'{\i}}mica de M{\'{e}}xico A.C.}, + url = {https://www.scielo.org.mx/scielo.php?script=sci_arttext&pid=S1870-249X2012000300014} +} + +@article{du_2020, + author = {Du, Benni and Zhang, Weichao}, + title = {{Theoretical Insight into the Reaction Mechanism and Kinetics for the Criegee Intermediate of anti-PhCHOO with SO2}}, + journal = {Molecules}, + volume = {25}, + number = {13}, + pages = {3041}, + year = {2020}, + month = jul, + issn = {1420-3049}, + publisher = {Multidisciplinary Digital Publishing Institute}, + doi = {10.3390/molecules25133041} +} + +@article{mallick_2020, + author = {Mallick, Subhasish and Roy, Bonasree and Kumar, Pradeep}, + title = {{A comparison of DLPNO-CCSD(T) and CCSD(T) method for the determination of the energetics of hydrogen atom transfer reactions}}, + journal = {Comput. Theor. Chem.}, + volume = {1187}, + pages = {112934}, + year = {2020}, + month = oct, + issn = {2210-271X}, + publisher = {Elsevier}, + doi = {10.1016/j.comptc.2020.112934} +} + +@article{vilarrubias_2020, +author = {Pere Vilarrubias}, +title = {Electronic spectroscopy of some small anions containing S, N and O using CR-EOM-CCSD(T) method}, +journal = {Molecular Physics}, +volume = {118}, +number = {24}, +pages = {e1797915}, +year = {2020}, +publisher = {Taylor & Francis}, +doi = {10.1080/00268976.2020.1797915}, +URL = {https://doi.org/10.1080/00268976.2020.1797915}, +eprint = {https://doi.org/10.1080/00268976.2020.1797915} +} diff --git a/stochastic_triples.tex b/stochastic_triples.tex index 83a8f19..e3efb07 100644 --- a/stochastic_triples.tex +++ b/stochastic_triples.tex @@ -108,15 +108,16 @@ Coupled cluster (CC) theory is a powerful quantum mechanical approach widely use It offers a systematic and rigorous framework for accurate predictions of molecular properties and reactions by accounting for electron correlation effects beyond the mean-field approximation. Among the various variants of the CC method, the CCSD(T) method stands as the gold standard of quantum chemistry. CCSD(T), which incorporates singles, doubles, and a perturbative treatment of triples, has demonstrated exceptional accuracy and reliability, making it one of the preferred choices for benchmark calculations and highly accurate predictions. -The CCSD(T) method has found successful applications in a diverse range of areas, including spectroscopy, reaction kinetics, and materials design, and has played a pivotal role in advancing our understanding of complex chemical phenomena. +The CCSD(T) method has found successful applications in a diverse range of areas, including spectroscopy,\cite{villa_2011,watson_2016,vilarrubias_2020} reaction kinetics,\cite{dontgen_2015,castaneda_2012} and materials design,\cite{zhang_2019} and has played a pivotal role in advancing our understanding of complex chemical phenomena. -In the context of CC theory, perturbative triples represent an important contribution to the accuracy of electronic structure calculations. +In the context of CC theory, perturbative triples represent an important contribution to the accuracy of electronic structure calculations.\cite{stanton_1997} However, the computational cost associated with their calculation can be prohibitively high, especially for large molecular systems. The CCSD(T) method, which includes the perturbative treatment of triples, is known to have a computational scaling of $\order{N^7}$, where $N$ represents the system size. This scaling can rapidly become impractical, posing significant challenges in terms of computational resources and time requirements. To address this computational bottleneck, our goal is to develop a novel semi-stochastic algorithm that brings back the computational time to a level comparable to that of the CCSD method, which has a scaling of $\order{N^6}$, while ensuring well-controlled approximations. -Our algorithm strikes a balance between computational efficiency and accuracy, making calculations for larger systems more feasible without compromising precision. +Our algorithm strikes a balance between computational efficiency and +accuracy, making calculations for larger basis sets more feasible without compromising precision. By incorporating stochastic sampling techniques, our approach provides an alternative avenue for approximating perturbative triples, relieving the computational burden inherent in traditional deterministic methods. This not only reduces the computational time to a more favorable level but also preserves the parallelism capabilities of CC calculations, ensuring efficient utilization of computational resources. In the following sections of this paper, we will provide a brief introduction to the computation of perturbative triples in coupled cluster theory. We will explain the principles of our semi-stochastic algorithm, outlining its key features and advantages. Additionally, we will present implementation details, discussing the technical aspects and considerations involved in the algorithm's practical realization. To demonstrate the effectiveness and applicability of our approach, we finally present illustrative examples that showcase the algorithm's performance and compare it with the conventional algorithm. diff --git a/triples.org b/triples.org index e4773c1..3491d4a 100644 --- a/triples.org +++ b/triples.org @@ -2890,10 +2890,17 @@ H 0.000000 2.473042 0.000000 **** Gaussian16 - Wavefunction amplitudes converged. E(Corr)= -231.75392219 + compute-9-1 + + Wavefunction amplitudes converged. E(Corr)= -231.75392219 + CCSD(T)= -231.80572825 + + + Elapsed time: 0 days 0 hours 49 minutes 14.5 seconds. **** Stochastic algorithm + Time: 90.0595779418945 s Successful convergence after 9 iterations @@ -3155,15 +3162,2752 @@ H 0.000000 2.473042 0.000000 #+begin_src gnuplot :var data=benzene_tz :results file :file benzene_tz.png reset set grid +set style fill transparent solid 0.50 border +set yrange [-231.8075:-231.8040] set format y "%10.4f" set ylabel "(T) (a.u)" set xlabel "Wall clock time (s)" -plot data using :1:2 w errorlines notitle, -231.805729365546 notitle +#plot data using :1:2 w errorlines notitle, -231.805729365546 notitle +plot data u :($1+$2):($1-$2) w filledcurves ls 1 notitle, \ + data u :($1) w l ls 1 title "", -231.805729365546 notitle ls 2 #+end_src #+RESULTS: [[file:benzene_tz.png]] +*** Benzene QZ + +**** Stochastic algorithm + + Time: 8693.82154679298 s + + Successful convergence after 9 iterations + + E(CCSD) = -231.815824923706 Ha + Correlation = -1.021843759016 Ha + + #+NAME:benzene_qz + |---------------+------------+--------| + | E(CCSD(T)) | Error | % | + |---------------+------------+--------| + | -231.86796779 | 2.6836E-03 | 0.03 | + | -231.86886286 | 1.8460E-03 | 0.07 | + | -231.87145639 | 1.9301E-03 | 0.11 | + | -231.87075938 | 1.5868E-03 | 0.14 | + | -231.87070761 | 1.3919E-03 | 0.18 | + | -231.87014076 | 1.2415E-03 | 0.22 | + | -231.86998195 | 1.1212E-03 | 0.26 | + | -231.87031548 | 1.1298E-03 | 0.29 | + | -231.86975069 | 1.0317E-03 | 0.33 | + | -231.87053412 | 1.0791E-03 | 0.37 | + | -231.87024201 | 1.0025E-03 | 0.41 | + | -231.87035522 | 9.4720E-04 | 0.44 | + | -231.87031036 | 9.0148E-04 | 0.48 | + | -231.87035796 | 8.8609E-04 | 0.52 | + | -231.87061273 | 8.6571E-04 | 0.56 | + | -231.87057305 | 8.3230E-04 | 0.59 | + | -231.87068112 | 7.9982E-04 | 0.63 | + | -231.87098298 | 7.9180E-04 | 0.67 | + | -231.87099339 | 7.6195E-04 | 0.71 | + | -231.87125113 | 7.6087E-04 | 0.74 | + | -231.87125943 | 7.3521E-04 | 0.78 | + | -231.87096228 | 7.0808E-04 | 0.82 | + | -231.87138541 | 7.3241E-04 | 0.86 | + | -231.87131808 | 7.0886E-04 | 0.89 | + | -231.87132724 | 6.9423E-04 | 0.93 | + | -231.87144287 | 6.8407E-04 | 0.97 | + | -231.87141648 | 6.6925E-04 | 1.01 | + | -231.87147973 | 6.7410E-04 | 1.04 | + | -231.87144384 | 6.6019E-04 | 1.08 | + | -231.87133886 | 6.4340E-04 | 1.12 | + | -231.87156346 | 6.5768E-04 | 1.16 | + | -231.87152240 | 6.4657E-04 | 1.19 | + | -231.87147831 | 6.3193E-04 | 1.23 | + | -231.87154890 | 6.2098E-04 | 1.27 | + | -231.87148454 | 6.0846E-04 | 1.31 | + | -231.87144628 | 5.9735E-04 | 1.34 | + | -231.87166943 | 6.0668E-04 | 1.38 | + | -231.87152637 | 5.9536E-04 | 1.42 | + | -231.87157657 | 5.8710E-04 | 1.46 | + | -231.87162240 | 5.7884E-04 | 1.49 | + | -231.87168111 | 5.7208E-04 | 1.53 | + | -231.87183074 | 5.7936E-04 | 1.57 | + | -231.87178380 | 5.6950E-04 | 1.60 | + | -231.87169672 | 5.6023E-04 | 1.64 | + | -231.87164677 | 5.5401E-04 | 1.68 | + | -231.87174774 | 5.4759E-04 | 1.72 | + | -231.87186785 | 5.4364E-04 | 1.75 | + | -231.87186102 | 5.3540E-04 | 1.79 | + | -231.87190724 | 5.3443E-04 | 1.83 | + | -231.87185060 | 5.2657E-04 | 1.87 | + | -231.87180216 | 5.2020E-04 | 1.90 | + | -231.87179702 | 5.1390E-04 | 1.94 | + | -231.87174977 | 5.0648E-04 | 1.98 | + | -231.87167784 | 4.9998E-04 | 2.01 | + | -231.87186545 | 4.9835E-04 | 2.05 | + | -231.87185211 | 4.9188E-04 | 2.09 | + | -231.87179861 | 4.8563E-04 | 2.13 | + | -231.87183432 | 4.8094E-04 | 2.16 | + | -231.87176459 | 4.7523E-04 | 2.20 | + | -231.87179828 | 4.7008E-04 | 2.24 | + | -231.87179112 | 4.6381E-04 | 2.27 | + | -231.87187841 | 4.6788E-04 | 2.31 | + | -231.87185923 | 4.6379E-04 | 2.35 | + | -231.87191166 | 4.6038E-04 | 2.39 | + | -231.87187308 | 4.5490E-04 | 2.42 | + | -231.87192993 | 4.5143E-04 | 2.46 | + | -231.87190006 | 4.4666E-04 | 2.50 | + | -231.87188932 | 4.4299E-04 | 2.54 | + | -231.87195169 | 4.4416E-04 | 2.57 | + | -231.87188769 | 4.3916E-04 | 2.61 | + | -231.87182655 | 4.3451E-04 | 2.65 | + | -231.87179113 | 4.3166E-04 | 2.69 | + | -231.87176277 | 4.2751E-04 | 2.72 | + | -231.87182093 | 4.2503E-04 | 2.76 | + | -231.87181280 | 4.2286E-04 | 2.80 | + | -231.87185984 | 4.2070E-04 | 2.84 | + | -231.87183462 | 4.1651E-04 | 2.87 | + | -231.87184208 | 4.1289E-04 | 2.91 | + | -231.87186506 | 4.1078E-04 | 2.95 | + | -231.87177854 | 4.0659E-04 | 2.98 | + | -231.87178424 | 4.0383E-04 | 3.02 | + | -231.87171611 | 3.9949E-04 | 3.06 | + | -231.87177159 | 3.9701E-04 | 3.10 | + | -231.87177777 | 3.9439E-04 | 3.13 | + | -231.87175811 | 3.9285E-04 | 3.17 | + | -231.87177615 | 3.8973E-04 | 3.21 | + | -231.87170243 | 3.8649E-04 | 3.24 | + | -231.87176338 | 3.8466E-04 | 3.28 | + | -231.87181963 | 3.8323E-04 | 3.32 | + | -231.87177304 | 3.8039E-04 | 3.36 | + | -231.87174564 | 3.7713E-04 | 3.39 | + | -231.87169892 | 3.7364E-04 | 3.43 | + | -231.87166645 | 3.7121E-04 | 3.47 | + | -231.87165616 | 3.6876E-04 | 3.51 | + | -231.87166930 | 3.6624E-04 | 3.54 | + | -231.87165976 | 3.6367E-04 | 3.58 | + | -231.87168972 | 3.6204E-04 | 3.62 | + | -231.87168500 | 3.6005E-04 | 3.65 | + | -231.87166476 | 3.5706E-04 | 3.69 | + | -231.87162388 | 3.5439E-04 | 3.73 | + | -231.87164298 | 3.5282E-04 | 3.77 | + | -231.87165269 | 3.5050E-04 | 3.80 | + | -231.87163905 | 3.4817E-04 | 3.84 | + | -231.87164631 | 3.4584E-04 | 3.88 | + | -231.87162664 | 3.4343E-04 | 3.92 | + | -231.87159486 | 3.4099E-04 | 3.95 | + | -231.87165992 | 3.4304E-04 | 3.99 | + | -231.87164512 | 3.4070E-04 | 4.03 | + | -231.87161066 | 3.3848E-04 | 4.07 | + | -231.87158324 | 3.3667E-04 | 4.10 | + | -231.87152331 | 3.3412E-04 | 4.14 | + | -231.87159415 | 3.3424E-04 | 4.18 | + | -231.87163030 | 3.3409E-04 | 4.22 | + | -231.87162716 | 3.3197E-04 | 4.25 | + | -231.87166310 | 3.3071E-04 | 4.29 | + | -231.87164350 | 3.2850E-04 | 4.33 | + | -231.87163273 | 3.2639E-04 | 4.36 | + | -231.87162906 | 3.2494E-04 | 4.40 | + | -231.87161571 | 3.2289E-04 | 4.44 | + | -231.87164988 | 3.2210E-04 | 4.48 | + | -231.87166444 | 3.2033E-04 | 4.51 | + | -231.87167554 | 3.1894E-04 | 4.55 | + | -231.87164091 | 3.1699E-04 | 4.59 | + | -231.87169772 | 3.1617E-04 | 4.62 | + | -231.87168052 | 3.1460E-04 | 4.66 | + | -231.87165494 | 3.1270E-04 | 4.70 | + | -231.87165584 | 3.1113E-04 | 4.74 | + | -231.87163026 | 3.0934E-04 | 4.77 | + | -231.87161898 | 3.0786E-04 | 4.81 | + | -231.87161069 | 3.0629E-04 | 4.85 | + | -231.87158760 | 3.0441E-04 | 4.89 | + | -231.87160348 | 3.0284E-04 | 4.92 | + | -231.87165706 | 3.0359E-04 | 4.96 | + | -231.87170409 | 3.0446E-04 | 5.00 | + | -231.87170513 | 3.0282E-04 | 5.04 | + | -231.87165485 | 3.0091E-04 | 5.07 | + | -231.87165386 | 2.9976E-04 | 5.11 | + | -231.87161558 | 2.9810E-04 | 5.15 | + | -231.87164247 | 2.9680E-04 | 5.19 | + | -231.87164674 | 2.9550E-04 | 5.22 | + | -231.87172430 | 2.9527E-04 | 5.26 | + | -231.87170926 | 2.9351E-04 | 5.30 | + | -231.87170004 | 2.9223E-04 | 5.34 | + | -231.87167473 | 2.9046E-04 | 5.37 | + | -231.87164345 | 2.8921E-04 | 5.41 | + | -231.87164340 | 2.8834E-04 | 5.45 | + | 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4.0689E-05 | 30.87 | + | -231.87180630 | 4.0652E-05 | 30.91 | + | -231.87180698 | 4.0627E-05 | 30.95 | + | -231.87180897 | 4.0609E-05 | 30.99 | + | -231.87180842 | 4.0580E-05 | 31.02 | + | -231.87180945 | 4.0552E-05 | 31.06 | + | -231.87180984 | 4.0522E-05 | 31.10 | + | -231.87181088 | 4.0486E-05 | 31.13 | + | -231.87181121 | 4.0450E-05 | 31.17 | + | -231.87180987 | 4.0412E-05 | 31.21 | + | -231.87180941 | 4.0376E-05 | 31.24 | + | -231.87181035 | 4.0357E-05 | 31.28 | + | -231.87180848 | 4.0319E-05 | 31.32 | + | -231.87180830 | 4.0286E-05 | 31.36 | + | -231.87180816 | 4.0244E-05 | 31.39 | + | -231.87180797 | 4.0213E-05 | 31.43 | + | -231.87180883 | 4.0181E-05 | 31.47 | + | -231.87180641 | 4.0143E-05 | 31.50 | + | -231.87180612 | 4.0108E-05 | 31.54 | + | -231.87180766 | 4.0075E-05 | 31.58 | + | -231.87180782 | 4.0041E-05 | 31.62 | + | -231.87180738 | 4.0006E-05 | 31.65 | + | -231.87180770 | 3.9979E-05 | 31.69 | + | -231.87180630 | 3.9940E-05 | 31.73 | + | -231.87180792 | 3.9917E-05 | 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3.4253E-05 | 33.58 | + | -231.87180114 | 3.4231E-05 | 33.62 | + | -231.87179894 | 3.4196E-05 | 33.65 | + | -231.87179843 | 3.4166E-05 | 33.69 | + | -231.87179926 | 3.4139E-05 | 33.73 | + | -231.87180159 | 3.4172E-05 | 33.76 | + | -231.87180186 | 3.4142E-05 | 33.80 | + | -231.87180084 | 3.4112E-05 | 33.84 | + | -231.87180214 | 3.4095E-05 | 33.88 | + | -231.87180400 | 3.4081E-05 | 33.91 | + | -231.87180502 | 3.4054E-05 | 33.95 | + | -231.87180392 | 3.4023E-05 | 33.99 | + | -231.87180312 | 3.3993E-05 | 34.03 | + | -231.87180098 | 3.3962E-05 | 34.06 | + | -231.87179957 | 3.3934E-05 | 34.10 | + | -231.87179986 | 3.3911E-05 | 34.14 | + | -231.87179897 | 3.3880E-05 | 34.17 | + | -231.87180165 | 3.3856E-05 | 34.21 | + | -231.87180122 | 3.3829E-05 | 34.25 | + | -231.87180207 | 3.3812E-05 | 34.29 | + | -231.87180323 | 3.3792E-05 | 34.32 | + | -231.87180268 | 3.3762E-05 | 34.36 | + | -231.87180259 | 3.3731E-05 | 34.40 | + | -231.87180343 | 3.3704E-05 | 34.43 | + | -231.87180457 | 3.3680E-05 | 34.47 | + | -231.87180380 | 3.3656E-05 | 34.51 | + | -231.87180407 | 3.3625E-05 | 34.54 | + | -231.87180398 | 3.3601E-05 | 34.58 | + | -231.87180338 | 3.3569E-05 | 34.62 | + | -231.87180329 | 3.3547E-05 | 34.65 | + | -231.87180319 | 3.3521E-05 | 34.69 | + | -231.87180070 | 3.3489E-05 | 34.73 | + | -231.87180002 | 3.3463E-05 | 34.77 | + | -231.87179948 | 3.3437E-05 | 34.80 | + | -231.87180164 | 3.3423E-05 | 34.84 | + | -231.87180167 | 3.3398E-05 | 34.88 | + | -231.87180218 | 3.3372E-05 | 34.92 | + | -231.87180073 | 3.3346E-05 | 34.95 | + | -231.87179893 | 3.3312E-05 | 34.99 | + | -231.87179888 | 3.3285E-05 | 35.03 | + | -231.87179899 | 3.3258E-05 | 35.06 | + | -231.87179961 | 3.3234E-05 | 35.10 | + | -231.87179857 | 3.3208E-05 | 35.14 | + | -231.87179863 | 3.3184E-05 | 35.17 | + | -231.87180016 | 3.3170E-05 | 35.21 | + | -231.87179873 | 3.3148E-05 | 35.25 | + | -231.87179970 | 3.3121E-05 | 35.29 | + | -231.87179934 | 3.3097E-05 | 35.32 | + | -231.87180080 | 3.3099E-05 | 35.36 | + | 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2.9225E-05 | 36.29 | + | -231.87178772 | 2.9209E-05 | 36.33 | + | -231.87178737 | 2.9186E-05 | 36.36 | + | -231.87178765 | 2.9166E-05 | 36.40 | + | -231.87178885 | 2.9154E-05 | 36.44 | + | -231.87179060 | 2.9145E-05 | 36.48 | + | -231.87178816 | 2.9118E-05 | 36.51 | + | -231.87178789 | 2.9097E-05 | 36.55 | + | -231.87178661 | 2.9071E-05 | 36.59 | + | -231.87178665 | 2.9059E-05 | 36.62 | + | -231.87178631 | 2.9038E-05 | 36.66 | + | -231.87178520 | 2.9013E-05 | 36.70 | + | -231.87178387 | 2.8988E-05 | 36.74 | + | -231.87178503 | 2.8991E-05 | 36.77 | + | -231.87178501 | 2.8975E-05 | 36.81 | + | -231.87178523 | 2.8957E-05 | 36.85 | + | -231.87178651 | 2.8963E-05 | 36.89 | + | -231.87178555 | 2.8943E-05 | 36.92 | + | -231.87178587 | 2.8925E-05 | 36.96 | + | -231.87178613 | 2.8908E-05 | 37.00 | + | -231.87178454 | 2.8882E-05 | 37.03 | + | -231.87178552 | 2.8862E-05 | 37.07 | + | -231.87178538 | 2.8846E-05 | 37.11 | + | -231.87178543 | 2.8825E-05 | 37.15 | + | -231.87178490 | 2.8814E-05 | 37.18 | + | -231.87178367 | 2.8790E-05 | 37.22 | + | -231.87178250 | 2.8768E-05 | 37.26 | + | -231.87178221 | 2.8745E-05 | 37.30 | + | -231.87178334 | 2.8728E-05 | 37.33 | + | -231.87178223 | 2.8703E-05 | 37.37 | + | -231.87178160 | 2.8682E-05 | 37.41 | + | -231.87178142 | 2.8664E-05 | 37.45 | + | -231.87178073 | 2.8644E-05 | 37.48 | + | -231.87177987 | 2.8622E-05 | 37.52 | + | -231.87178045 | 2.8606E-05 | 37.56 | + | -231.87178010 | 2.8584E-05 | 37.59 | + | -231.87177966 | 2.8562E-05 | 37.63 | + | -231.87178061 | 2.8549E-05 | 37.67 | + | -231.87178056 | 2.8531E-05 | 37.71 | + | -231.87178036 | 2.8510E-05 | 37.74 | + | -231.87178028 | 2.8488E-05 | 37.78 | + | -231.87177998 | 2.8462E-05 | 37.82 | + | -231.87178071 | 2.8443E-05 | 37.85 | + | -231.87178060 | 2.8425E-05 | 37.89 | + | -231.87177943 | 2.8400E-05 | 37.93 | + | -231.87177983 | 2.8377E-05 | 37.97 | + | -231.87178016 | 2.8361E-05 | 38.00 | + | -231.87178109 | 2.8344E-05 | 38.04 | + | -231.87177993 | 2.8321E-05 | 38.08 | + | 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2.7820E-05 | 39.01 | + | -231.87177426 | 2.7798E-05 | 39.05 | + | -231.87177571 | 2.7780E-05 | 39.08 | + | -231.87177441 | 2.7758E-05 | 39.12 | + | -231.87177347 | 2.7738E-05 | 39.16 | + | -231.87177192 | 2.7724E-05 | 39.20 | + | -231.87175182 | 2.5351E-05 | 39.23 | + | -231.87175089 | 2.5334E-05 | 39.27 | + | -231.87175190 | 2.5319E-05 | 39.31 | + | -231.87175134 | 2.5300E-05 | 39.34 | + | -231.87175327 | 2.5290E-05 | 39.38 | + | -231.87175412 | 2.5272E-05 | 39.42 | + | -231.87175521 | 2.5260E-05 | 39.46 | + | -231.87175518 | 2.5240E-05 | 39.49 | + | -231.87175436 | 2.5218E-05 | 39.53 | + | -231.87175474 | 2.5201E-05 | 39.57 | + | -231.87175484 | 2.5184E-05 | 39.61 | + | -231.87175471 | 2.5163E-05 | 39.64 | + | -231.87175552 | 2.5146E-05 | 39.68 | + | -231.87175587 | 2.5131E-05 | 39.72 | + | -231.87175439 | 2.5108E-05 | 39.76 | + | -231.87175375 | 2.5089E-05 | 39.79 | + | -231.87175415 | 2.5073E-05 | 39.83 | + | -231.87175561 | 2.5061E-05 | 39.87 | + | -231.87175492 | 2.5039E-05 | 39.90 | + | -231.87175504 | 2.5021E-05 | 39.94 | + | -231.87175392 | 2.5000E-05 | 39.98 | + | -231.87175481 | 2.4985E-05 | 40.02 | + | -231.87175434 | 2.4965E-05 | 40.05 | + | -231.87175366 | 2.4947E-05 | 40.09 | + | -231.87175303 | 2.4927E-05 | 40.13 | + | -231.87175395 | 2.4911E-05 | 40.17 | + | -231.87175369 | 2.4893E-05 | 40.20 | + | -231.87175465 | 2.4882E-05 | 40.24 | + | -231.87175408 | 2.4861E-05 | 40.28 | + | -231.87175435 | 2.4843E-05 | 40.31 | + | -231.87175468 | 2.4828E-05 | 40.35 | + | -231.87175444 | 2.4813E-05 | 40.39 | + | -231.87175528 | 2.4804E-05 | 40.43 | + | -231.87175432 | 2.4787E-05 | 40.46 | + | -231.87175553 | 2.4775E-05 | 40.50 | + | -231.87175553 | 2.4763E-05 | 40.54 | + | -231.87175390 | 2.4741E-05 | 40.58 | + | -231.87175370 | 2.4726E-05 | 40.61 | + | -231.87175490 | 2.4717E-05 | 40.65 | + | -231.87175551 | 2.4704E-05 | 40.69 | + | -231.87175524 | 2.4685E-05 | 40.73 | + | -231.87175610 | 2.4672E-05 | 40.76 | + | -231.87175626 | 2.4658E-05 | 40.80 | + | 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2.4267E-05 | 41.73 | + | -231.87175361 | 2.4253E-05 | 41.77 | + | -231.87175268 | 2.4235E-05 | 41.80 | + | -231.87175353 | 2.4220E-05 | 41.84 | + | -231.87175370 | 2.4209E-05 | 41.88 | + | -231.87175430 | 2.4194E-05 | 41.92 | + | -231.87175348 | 2.4176E-05 | 41.95 | + | -231.87175325 | 2.4159E-05 | 41.99 | + | -231.87175309 | 2.4145E-05 | 42.03 | + | -231.87175204 | 2.4125E-05 | 42.07 | + | -231.87175165 | 2.4107E-05 | 42.10 | + | -231.87175193 | 2.4097E-05 | 42.14 | + | -231.87175150 | 2.4084E-05 | 42.18 | + | -231.87173961 | 2.2092E-05 | 42.21 | + | -231.87173974 | 2.2076E-05 | 42.25 | + | -231.87174016 | 2.2061E-05 | 42.29 | + | -231.87173944 | 2.2043E-05 | 42.33 | + | -231.87173920 | 2.2025E-05 | 42.36 | + | -231.87173949 | 2.2008E-05 | 42.40 | + | -231.87173955 | 2.1992E-05 | 42.44 | + | -231.87174004 | 2.1978E-05 | 42.47 | + | -231.87174131 | 2.1966E-05 | 42.51 | + | -231.87174078 | 2.1952E-05 | 42.55 | + | -231.87174335 | 2.1956E-05 | 42.59 | + | -231.87174329 | 2.1946E-05 | 42.62 | + | -231.87174360 | 2.1936E-05 | 42.66 | + | -231.87174431 | 2.1924E-05 | 42.70 | + | -231.87174412 | 2.1907E-05 | 42.74 | + | -231.87174435 | 2.1895E-05 | 42.77 | + | -231.87174446 | 2.1882E-05 | 42.81 | + | -231.87174443 | 2.1871E-05 | 42.85 | + | -231.87174461 | 2.1857E-05 | 42.88 | + | -231.87174375 | 2.1843E-05 | 42.92 | + | -231.87174353 | 2.1828E-05 | 42.96 | + | -231.87174362 | 2.1815E-05 | 42.99 | + | -231.87174338 | 2.1800E-05 | 43.03 | + | -231.87174300 | 2.1789E-05 | 43.07 | + | -231.87174306 | 2.1771E-05 | 43.11 | + | -231.87174403 | 2.1756E-05 | 43.14 | + | -231.87174431 | 2.1744E-05 | 43.18 | + | -231.87174387 | 2.1727E-05 | 43.22 | + | -231.87174322 | 2.1712E-05 | 43.26 | + | -231.87174326 | 2.1699E-05 | 43.29 | + | -231.87174301 | 2.1686E-05 | 43.33 | + | -231.87174333 | 2.1673E-05 | 43.37 | + | -231.87174259 | 2.1657E-05 | 43.40 | + | -231.87174423 | 2.1650E-05 | 43.44 | + | -231.87174399 | 2.1636E-05 | 43.48 | + | -231.87174327 | 2.1622E-05 | 43.52 | + | 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6.6656E-06 | 66.13 | + | -231.87174838 | 6.6623E-06 | 66.16 | + | -231.87174845 | 6.6586E-06 | 66.20 | + | -231.87174871 | 6.6544E-06 | 66.24 | + | -231.87174866 | 6.6502E-06 | 66.28 | + | -231.87174859 | 6.6457E-06 | 66.31 | + | -231.87174811 | 6.6412E-06 | 66.35 | + | -231.87174817 | 6.6372E-06 | 66.39 | + | -231.87174803 | 6.6334E-06 | 66.42 | + | -231.87174850 | 6.2884E-06 | 66.46 | + | -231.87174853 | 6.2848E-06 | 66.50 | + | -231.87174856 | 6.2810E-06 | 66.53 | + | -231.87174843 | 6.2778E-06 | 66.57 | + | -231.87174845 | 6.2748E-06 | 66.61 | + | -231.87174843 | 6.2713E-06 | 66.65 | + | -231.87174830 | 6.2676E-06 | 66.68 | + | -231.87174807 | 6.2638E-06 | 66.72 | + | -231.87174817 | 6.2601E-06 | 66.76 | + | -231.87174800 | 6.2568E-06 | 66.79 | + | -231.87174786 | 6.2529E-06 | 66.83 | + | -231.87174785 | 6.2485E-06 | 66.87 | + | -231.87174789 | 6.2447E-06 | 66.91 | + | -231.87174797 | 6.2417E-06 | 66.94 | + | -231.87174763 | 6.2379E-06 | 66.98 | + | -231.87174780 | 6.2343E-06 | 67.02 | + | -231.87174763 | 6.2305E-06 | 67.05 | + | -231.87174739 | 6.2263E-06 | 67.09 | + | -231.87174726 | 6.2224E-06 | 67.13 | + | -231.87174729 | 6.2189E-06 | 67.16 | + | -231.87174751 | 6.2163E-06 | 67.20 | + | -231.87174740 | 6.2125E-06 | 67.24 | + | -231.87174727 | 6.2082E-06 | 67.27 | + | -231.87174673 | 6.2036E-06 | 67.31 | + | -231.87174684 | 6.2001E-06 | 67.35 | + | -231.87174722 | 6.1971E-06 | 67.39 | + | -231.87174708 | 6.1936E-06 | 67.42 | + | -231.87174722 | 6.1901E-06 | 67.46 | + | -231.87174698 | 6.1863E-06 | 67.50 | + | -231.87174735 | 6.1831E-06 | 67.53 | + | -231.87174754 | 6.1797E-06 | 67.57 | + | -231.87174757 | 6.1761E-06 | 67.61 | + | -231.87174778 | 6.1731E-06 | 67.64 | + | -231.87174749 | 6.1690E-06 | 67.68 | + | -231.87174750 | 6.1652E-06 | 67.72 | + | -231.87174760 | 6.1627E-06 | 67.76 | + | -231.87174769 | 6.1603E-06 | 67.79 | + | -231.87174751 | 6.1568E-06 | 67.83 | + | -231.87174856 | 5.8978E-06 | 67.87 | + | -231.87174840 | 5.8949E-06 | 67.90 | + | -231.87174837 | 5.8909E-06 | 67.94 | + | -231.87174819 | 5.8866E-06 | 67.98 | + | -231.87174821 | 5.8835E-06 | 68.01 | + | -231.87174827 | 5.8803E-06 | 68.05 | + | -231.87174817 | 5.8769E-06 | 68.09 | + | -231.87174783 | 5.8732E-06 | 68.13 | + | -231.87174787 | 5.8698E-06 | 68.16 | + | -231.87174797 | 5.8664E-06 | 68.20 | + | -231.87174770 | 5.8629E-06 | 68.24 | + | -231.87174742 | 5.8589E-06 | 68.28 | + | -231.87174730 | 5.8552E-06 | 68.31 | + | -231.87174725 | 5.8515E-06 | 68.35 | + | -231.87174706 | 5.8480E-06 | 68.39 | + | -231.87174696 | 5.8449E-06 | 68.43 | + | -231.87174687 | 5.8418E-06 | 68.46 | + | -231.87174661 | 5.8374E-06 | 68.50 | + | -231.87174658 | 5.8338E-06 | 68.54 | + | -231.87174647 | 5.8298E-06 | 68.57 | + | -231.87174631 | 5.8265E-06 | 68.61 | + | -231.87174632 | 5.8229E-06 | 68.65 | + | -231.87174633 | 5.8195E-06 | 68.68 | + | -231.87174624 | 5.8159E-06 | 68.72 | + | -231.87174627 | 5.8130E-06 | 68.76 | + | -231.87174639 | 5.8098E-06 | 68.80 | + | -231.87174664 | 5.8070E-06 | 68.83 | + | -231.87174670 | 5.8042E-06 | 68.87 | + | -231.87174659 | 5.8012E-06 | 68.91 | + | -231.87174626 | 5.7976E-06 | 68.94 | + | -231.87174624 | 5.7940E-06 | 68.98 | + | -231.87174590 | 5.7907E-06 | 69.02 | + | -231.87174597 | 5.7878E-06 | 69.05 | + | -231.87174615 | 5.7846E-06 | 69.09 | + | -231.87174642 | 5.7821E-06 | 69.13 | + | -231.87174627 | 5.7787E-06 | 69.16 | + | -231.87174651 | 5.7754E-06 | 69.20 | + | -231.87174723 | 5.5254E-06 | 69.24 | + | -231.87174709 | 5.5220E-06 | 69.28 | + | -231.87174692 | 5.5187E-06 | 69.31 | + | -231.87174695 | 5.5158E-06 | 69.35 | + | -231.87174685 | 5.5128E-06 | 69.39 | + | -231.87174693 | 5.5094E-06 | 69.42 | + | -231.87174706 | 5.5060E-06 | 69.46 | + | -231.87174706 | 5.5026E-06 | 69.50 | + | -231.87174739 | 5.5000E-06 | 69.54 | + | -231.87174780 | 5.4973E-06 | 69.57 | + | -231.87174779 | 5.4938E-06 | 69.61 | + | -231.87174774 | 5.4904E-06 | 69.65 | + | -231.87174768 | 5.4875E-06 | 69.68 | + | -231.87174767 | 5.4843E-06 | 69.72 | + | -231.87174764 | 5.4812E-06 | 69.76 | + | -231.87174742 | 5.4780E-06 | 69.80 | + | -231.87174713 | 5.4747E-06 | 69.83 | + | -231.87174701 | 5.4716E-06 | 69.87 | + | -231.87174717 | 5.4695E-06 | 69.91 | + | -231.87174737 | 5.4666E-06 | 69.94 | + | -231.87174741 | 5.4634E-06 | 69.98 | + | -231.87174776 | 5.4607E-06 | 70.02 | + | -231.87174790 | 5.4579E-06 | 70.06 | + | -231.87174781 | 5.4552E-06 | 70.09 | + | -231.87174787 | 5.4522E-06 | 70.13 | + | -231.87174774 | 5.4485E-06 | 70.17 | + | -231.87174770 | 5.4455E-06 | 70.20 | + | -231.87174754 | 5.4425E-06 | 70.24 | + | -231.87174739 | 5.4397E-06 | 70.28 | + | -231.87174730 | 5.4359E-06 | 70.31 | + | -231.87174715 | 5.4324E-06 | 70.35 | + | -231.87174733 | 5.4291E-06 | 70.39 | + | -231.87174714 | 5.4260E-06 | 70.42 | + | -231.87174715 | 5.4229E-06 | 70.46 | + | -231.87174706 | 5.4193E-06 | 70.50 | + | -231.87174591 | 5.1851E-06 | 70.54 | + | -231.87174581 | 5.1819E-06 | 70.57 | + | -231.87174577 | 5.1788E-06 | 70.61 | + | 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5.1069E-06 | 71.54 | + | -231.87174714 | 5.1039E-06 | 71.57 | + | -231.87174726 | 5.1011E-06 | 71.61 | + | -231.87174729 | 5.0983E-06 | 71.65 | + | -231.87174732 | 5.0957E-06 | 71.68 | + | -231.87174733 | 5.0931E-06 | 71.72 | + | -231.87174710 | 5.0898E-06 | 71.76 | + | -231.87174736 | 4.8694E-06 | 71.80 | + | -231.87174736 | 4.8668E-06 | 71.83 | + | -231.87174736 | 4.8634E-06 | 71.87 | + | -231.87174756 | 4.8612E-06 | 71.91 | + | -231.87174766 | 4.8585E-06 | 71.94 | + | -231.87174761 | 4.8555E-06 | 71.98 | + | -231.87174767 | 4.8529E-06 | 72.02 | + | -231.87174774 | 4.8503E-06 | 72.05 | + | -231.87174780 | 4.8477E-06 | 72.09 | + | -231.87174783 | 4.8453E-06 | 72.13 | + | -231.87174800 | 4.8427E-06 | 72.17 | + | -231.87174797 | 4.8396E-06 | 72.20 | + | -231.87174823 | 4.8375E-06 | 72.24 | + | -231.87174820 | 4.8346E-06 | 72.28 | + | -231.87174802 | 4.8316E-06 | 72.31 | + | -231.87174788 | 4.8284E-06 | 72.35 | + | -231.87174785 | 4.8258E-06 | 72.39 | + | -231.87174797 | 4.8230E-06 | 72.42 | + | -231.87174816 | 4.8202E-06 | 72.46 | + | -231.87174814 | 4.8173E-06 | 72.50 | + | -231.87174833 | 4.8145E-06 | 72.54 | + | -231.87174834 | 4.8120E-06 | 72.57 | + | -231.87174829 | 4.8090E-06 | 72.61 | + | -231.87174833 | 4.8065E-06 | 72.65 | + | -231.87174819 | 4.8036E-06 | 72.69 | + | -231.87174825 | 4.8014E-06 | 72.72 | + | -231.87174831 | 4.7986E-06 | 72.76 | + | -231.87174843 | 4.7963E-06 | 72.80 | + | -231.87174862 | 4.7935E-06 | 72.83 | + | -231.87174863 | 4.7906E-06 | 72.87 | + | -231.87174869 | 4.7877E-06 | 72.91 | + | -231.87174927 | 4.5944E-06 | 72.95 | + | -231.87174910 | 4.5916E-06 | 72.98 | + | -231.87174906 | 4.5887E-06 | 73.02 | + | -231.87174910 | 4.5862E-06 | 73.06 | + | -231.87174897 | 4.5835E-06 | 73.09 | + | -231.87174889 | 4.5809E-06 | 73.13 | + | -231.87174882 | 4.5780E-06 | 73.17 | + | -231.87174888 | 4.5752E-06 | 73.20 | + | -231.87174887 | 4.5726E-06 | 73.24 | + | -231.87174901 | 4.5697E-06 | 73.28 | + | -231.87174899 | 4.5672E-06 | 73.32 | + | 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4.3039E-06 | 74.25 | + | -231.87174699 | 4.3010E-06 | 74.28 | + | -231.87174689 | 4.2986E-06 | 74.32 | + | -231.87174690 | 4.2961E-06 | 74.36 | + | -231.87174684 | 4.2935E-06 | 74.39 | + | -231.87174683 | 4.2909E-06 | 74.43 | + | -231.87174698 | 4.2885E-06 | 74.47 | + | -231.87174692 | 4.2858E-06 | 74.50 | + | -231.87174699 | 4.2832E-06 | 74.54 | + | -231.87174706 | 4.2809E-06 | 74.58 | + | -231.87174689 | 4.2782E-06 | 74.62 | + | -231.87174692 | 4.2756E-06 | 74.65 | + | -231.87174697 | 4.2744E-06 | 74.69 | + | -231.87174669 | 4.2714E-06 | 74.73 | + | -231.87174657 | 4.2685E-06 | 74.76 | + | -231.87174631 | 4.2655E-06 | 74.80 | + | -231.87174607 | 4.2625E-06 | 74.84 | + | -231.87174613 | 4.2603E-06 | 74.88 | + | -231.87174602 | 4.2574E-06 | 74.91 | + | -231.87174602 | 4.2549E-06 | 74.95 | + | -231.87174640 | 4.2535E-06 | 74.99 | + | -231.87174659 | 4.2516E-06 | 75.02 | + | -231.87174662 | 4.2494E-06 | 75.06 | + | -231.87174652 | 4.2468E-06 | 75.10 | + | -231.87174436 | 4.0398E-06 | 75.14 | + | -231.87174450 | 4.0379E-06 | 75.17 | + | -231.87174443 | 4.0356E-06 | 75.21 | + | -231.87174439 | 4.0331E-06 | 75.25 | + | -231.87174430 | 4.0304E-06 | 75.28 | + | -231.87174428 | 4.0279E-06 | 75.32 | + | -231.87174441 | 4.0253E-06 | 75.36 | + | -231.87174451 | 4.0231E-06 | 75.39 | + | -231.87174456 | 4.0203E-06 | 75.43 | + | -231.87174471 | 4.0179E-06 | 75.47 | + | -231.87174467 | 4.0154E-06 | 75.51 | + | -231.87174466 | 4.0128E-06 | 75.54 | + | -231.87174464 | 4.0103E-06 | 75.58 | + | -231.87174459 | 4.0076E-06 | 75.62 | + | -231.87174479 | 4.0053E-06 | 75.65 | + | -231.87174465 | 4.0026E-06 | 75.69 | + | -231.87174485 | 4.0003E-06 | 75.73 | + | -231.87174464 | 3.9977E-06 | 75.77 | + | -231.87174465 | 3.9954E-06 | 75.80 | + | -231.87174452 | 3.9930E-06 | 75.84 | + | -231.87174435 | 3.9903E-06 | 75.88 | + | -231.87174433 | 3.9877E-06 | 75.91 | + | -231.87174441 | 3.9858E-06 | 75.95 | + | -231.87174439 | 3.9829E-06 | 75.99 | + | -231.87174435 | 3.9805E-06 | 76.02 | + | -231.87174427 | 3.9777E-06 | 76.06 | + | -231.87174435 | 3.9752E-06 | 76.10 | + | -231.87174501 | 3.7981E-06 | 76.14 | + | -231.87174496 | 3.7955E-06 | 76.17 | + | -231.87174486 | 3.7931E-06 | 76.21 | + | -231.87174504 | 3.7911E-06 | 76.25 | + | -231.87174510 | 3.7888E-06 | 76.28 | + | -231.87174513 | 3.7864E-06 | 76.32 | + | -231.87174511 | 3.7839E-06 | 76.36 | + | -231.87174510 | 3.7815E-06 | 76.39 | + | -231.87174507 | 3.7791E-06 | 76.43 | + | -231.87174510 | 3.7768E-06 | 76.47 | + | -231.87174512 | 3.7744E-06 | 76.51 | + | -231.87174523 | 3.7725E-06 | 76.54 | + | -231.87174547 | 3.7706E-06 | 76.58 | + | -231.87174551 | 3.7683E-06 | 76.62 | + | -231.87174525 | 3.7657E-06 | 76.65 | + | -231.87174535 | 3.7632E-06 | 76.69 | + | -231.87174521 | 3.7607E-06 | 76.73 | + | -231.87174508 | 3.7582E-06 | 76.76 | + | -231.87174509 | 3.7557E-06 | 76.80 | + | -231.87174517 | 3.7535E-06 | 76.84 | + | -231.87174523 | 3.7510E-06 | 76.88 | + | -231.87174532 | 3.7493E-06 | 76.91 | + | -231.87174540 | 3.7470E-06 | 76.95 | + | -231.87174537 | 3.7447E-06 | 76.99 | + | -231.87174560 | 3.7428E-06 | 77.03 | + | -231.87174554 | 3.7401E-06 | 77.06 | + | -231.87174491 | 3.5624E-06 | 77.10 | + | -231.87174500 | 3.5606E-06 | 77.14 | + | -231.87174510 | 3.5583E-06 | 77.17 | + | -231.87174504 | 3.5562E-06 | 77.21 | + | -231.87174518 | 3.5545E-06 | 77.25 | + | -231.87174511 | 3.5522E-06 | 77.28 | + | -231.87174495 | 3.5497E-06 | 77.32 | + | -231.87174486 | 3.5475E-06 | 77.36 | + | -231.87174496 | 3.5458E-06 | 77.40 | + | -231.87174502 | 3.5437E-06 | 77.43 | + | -231.87174497 | 3.5416E-06 | 77.47 | + | -231.87174504 | 3.5394E-06 | 77.51 | + | -231.87174493 | 3.5372E-06 | 77.54 | + | -231.87174518 | 3.5354E-06 | 77.58 | + | -231.87174517 | 3.5335E-06 | 77.62 | + | -231.87174509 | 3.5315E-06 | 77.66 | + | -231.87174537 | 3.5298E-06 | 77.69 | + | -231.87174553 | 3.5278E-06 | 77.73 | + | -231.87174569 | 3.5258E-06 | 77.77 | + | -231.87174569 | 3.5240E-06 | 77.80 | + | -231.87174583 | 3.5225E-06 | 77.84 | + | -231.87174581 | 3.5203E-06 | 77.88 | + | -231.87174574 | 3.5180E-06 | 77.92 | + | -231.87174576 | 3.5159E-06 | 77.95 | + | -231.87174563 | 3.5132E-06 | 77.99 | + | -231.87174561 | 3.3602E-06 | 78.03 | + | -231.87174552 | 3.3579E-06 | 78.06 | + | -231.87174556 | 3.3560E-06 | 78.10 | + | -231.87174554 | 3.3540E-06 | 78.14 | + | -231.87174556 | 3.3517E-06 | 78.18 | + | -231.87174562 | 3.3495E-06 | 78.21 | + | -231.87174559 | 3.3473E-06 | 78.25 | + | -231.87174559 | 3.3452E-06 | 78.29 | + | -231.87174557 | 3.3432E-06 | 78.32 | + | -231.87174558 | 3.3411E-06 | 78.36 | + | -231.87174554 | 3.3388E-06 | 78.40 | + | -231.87174557 | 3.3367E-06 | 78.44 | + | -231.87174561 | 3.3345E-06 | 78.48 | + | -231.87174576 | 3.3330E-06 | 78.51 | + | -231.87174572 | 3.3306E-06 | 78.55 | + | -231.87174566 | 3.3287E-06 | 78.59 | + | -231.87174599 | 3.3271E-06 | 78.62 | + | -231.87174617 | 3.3252E-06 | 78.66 | + | -231.87174623 | 3.3233E-06 | 78.70 | + | -231.87174623 | 3.3213E-06 | 78.73 | + | -231.87174614 | 3.3191E-06 | 78.77 | + | -231.87174604 | 3.3166E-06 | 78.81 | + | -231.87174593 | 3.3143E-06 | 78.85 | + | -231.87174560 | 3.1727E-06 | 78.88 | + | -231.87174543 | 3.1702E-06 | 78.92 | + | -231.87174540 | 3.1681E-06 | 78.96 | + | -231.87174539 | 3.1661E-06 | 78.99 | + | -231.87174530 | 3.1642E-06 | 79.03 | + | -231.87174517 | 3.1616E-06 | 79.07 | + | -231.87174534 | 3.1599E-06 | 79.11 | + | -231.87174537 | 3.1579E-06 | 79.14 | + | -231.87174552 | 3.1564E-06 | 79.18 | + | -231.87174536 | 3.1543E-06 | 79.22 | + | -231.87174547 | 3.1524E-06 | 79.25 | + | -231.87174546 | 3.1502E-06 | 79.29 | + | -231.87174553 | 3.1482E-06 | 79.33 | + | -231.87174544 | 3.1460E-06 | 79.36 | + | -231.87174549 | 3.1440E-06 | 79.40 | + | -231.87174530 | 3.1418E-06 | 79.44 | + | -231.87174538 | 3.1403E-06 | 79.48 | + | -231.87174538 | 3.1382E-06 | 79.51 | + | -231.87174529 | 3.1360E-06 | 79.55 | + | -231.87174509 | 3.1337E-06 | 79.59 | + | -231.87174511 | 3.1317E-06 | 79.62 | + | -231.87174506 | 3.1295E-06 | 79.66 | + | -231.87174487 | 3.1275E-06 | 79.70 | + | -231.87174520 | 2.9957E-06 | 79.74 | + | -231.87174513 | 2.9936E-06 | 79.77 | + | -231.87174510 | 2.9919E-06 | 79.81 | + | -231.87174505 | 2.9900E-06 | 79.85 | + | -231.87174519 | 2.9885E-06 | 79.88 | + | -231.87174519 | 2.9862E-06 | 79.92 | + | -231.87174551 | 2.9847E-06 | 79.96 | + | -231.87174550 | 2.9833E-06 | 80.00 | + | -231.87174535 | 2.9814E-06 | 80.03 | + | -231.87174528 | 2.9793E-06 | 80.07 | + | -231.87174532 | 2.9773E-06 | 80.11 | + | -231.87174547 | 2.9756E-06 | 80.14 | + | -231.87174542 | 2.9735E-06 | 80.18 | + | -231.87174543 | 2.9717E-06 | 80.22 | + | -231.87174521 | 2.9694E-06 | 80.26 | + | -231.87174521 | 2.9678E-06 | 80.29 | + | -231.87174503 | 2.9658E-06 | 80.33 | + | -231.87174489 | 2.9636E-06 | 80.37 | + | -231.87174512 | 2.9621E-06 | 80.40 | + | -231.87174516 | 2.9601E-06 | 80.44 | + | -231.87174517 | 2.9585E-06 | 80.48 | + | -231.87174430 | 2.8436E-06 | 80.52 | + | -231.87174423 | 2.8417E-06 | 80.55 | + | -231.87174421 | 2.8399E-06 | 80.59 | + | -231.87174424 | 2.8383E-06 | 80.63 | + | -231.87174414 | 2.8362E-06 | 80.66 | + | -231.87174425 | 2.8346E-06 | 80.70 | + | -231.87174409 | 2.8325E-06 | 80.74 | + | -231.87174420 | 2.8314E-06 | 80.78 | + | -231.87174420 | 2.8297E-06 | 80.81 | + | -231.87174411 | 2.8278E-06 | 80.85 | + | -231.87174422 | 2.8264E-06 | 80.89 | + | -231.87174415 | 2.8242E-06 | 80.92 | + | -231.87174415 | 2.8225E-06 | 80.96 | + | -231.87174407 | 2.8206E-06 | 81.00 | + | -231.87174400 | 2.8190E-06 | 81.03 | + | -231.87174392 | 2.8173E-06 | 81.07 | + | -231.87174388 | 2.8153E-06 | 81.11 | + | -231.87174385 | 2.8133E-06 | 81.14 | + | -231.87174378 | 2.8113E-06 | 81.18 | + | -231.87174389 | 2.8097E-06 | 81.22 | + | -231.87174378 | 2.8078E-06 | 81.26 | + | -231.87174429 | 2.7028E-06 | 81.29 | + | -231.87174426 | 2.7010E-06 | 81.33 | + | -231.87174416 | 2.6990E-06 | 81.37 | + | -231.87174425 | 2.6973E-06 | 81.41 | + | -231.87174441 | 2.6956E-06 | 81.44 | + | -231.87174442 | 2.6939E-06 | 81.48 | + | -231.87174437 | 2.6918E-06 | 81.52 | + | -231.87174446 | 2.6897E-06 | 81.55 | + | -231.87174459 | 2.6885E-06 | 81.59 | + | -231.87174456 | 2.6867E-06 | 81.63 | + | -231.87174451 | 2.6847E-06 | 81.67 | + | -231.87174445 | 2.6830E-06 | 81.70 | + | -231.87174450 | 2.6812E-06 | 81.74 | + | -231.87174434 | 2.6791E-06 | 81.78 | + | -231.87174439 | 2.6775E-06 | 81.82 | + | -231.87174441 | 2.6759E-06 | 81.85 | + | -231.87174444 | 2.6742E-06 | 81.89 | + | -231.87174451 | 2.6730E-06 | 81.93 | + | -231.87174458 | 2.6713E-06 | 81.96 | + | -231.87174454 | 2.5721E-06 | 82.00 | + | -231.87174455 | 2.5705E-06 | 82.04 | + | -231.87174440 | 2.5685E-06 | 82.08 | + | -231.87174443 | 2.5668E-06 | 82.11 | + | -231.87174456 | 2.5656E-06 | 82.15 | + | -231.87174444 | 2.5638E-06 | 82.19 | + | -231.87174454 | 2.5623E-06 | 82.22 | + | -231.87174464 | 2.5610E-06 | 82.26 | + | -231.87174475 | 2.5592E-06 | 82.30 | + | -231.87174462 | 2.5571E-06 | 82.34 | + | -231.87174474 | 2.5555E-06 | 82.37 | + | -231.87174484 | 2.5543E-06 | 82.41 | + | -231.87174485 | 2.5527E-06 | 82.45 | + | -231.87174491 | 2.5510E-06 | 82.48 | + | -231.87174490 | 2.5493E-06 | 82.52 | + | -231.87174499 | 2.5476E-06 | 82.56 | + | -231.87174488 | 2.5457E-06 | 82.59 | + | -231.87174505 | 2.5440E-06 | 82.63 | + | -231.87174502 | 2.5422E-06 | 82.67 | + | -231.87174498 | 2.4522E-06 | 82.71 | + | -231.87174493 | 2.4506E-06 | 82.74 | + | -231.87174496 | 2.4489E-06 | 82.78 | + | -231.87174496 | 2.4473E-06 | 82.82 | + | -231.87174492 | 2.4455E-06 | 82.86 | + | -231.87174488 | 2.4436E-06 | 82.89 | + | -231.87174489 | 2.4424E-06 | 82.93 | + | -231.87174486 | 2.4406E-06 | 82.97 | + | -231.87174487 | 2.4388E-06 | 83.00 | + | -231.87174500 | 2.4372E-06 | 83.04 | + | -231.87174503 | 2.4354E-06 | 83.08 | + | -231.87174521 | 2.4336E-06 | 83.11 | + | -231.87174525 | 2.4320E-06 | 83.15 | + | -231.87174513 | 2.4300E-06 | 83.19 | + | -231.87174524 | 2.4285E-06 | 83.23 | + | -231.87174515 | 2.4266E-06 | 83.26 | + | -231.87174521 | 2.4253E-06 | 83.30 | + | -231.87174466 | 2.3414E-06 | 83.34 | + | -231.87174473 | 2.3396E-06 | 83.37 | + | -231.87174472 | 2.3381E-06 | 83.41 | + | -231.87174462 | 2.3360E-06 | 83.45 | + | -231.87174456 | 2.3344E-06 | 83.49 | + | -231.87174448 | 2.3326E-06 | 83.52 | + | -231.87174458 | 2.3307E-06 | 83.56 | + | -231.87174449 | 2.3289E-06 | 83.60 | + | -231.87174436 | 2.3274E-06 | 83.64 | + | -231.87174436 | 2.3259E-06 | 83.67 | + | -231.87174433 | 2.3245E-06 | 83.71 | + | -231.87174423 | 2.3231E-06 | 83.75 | + | -231.87174429 | 2.3215E-06 | 83.78 | + | -231.87174422 | 2.3196E-06 | 83.82 | + | -231.87174419 | 2.3180E-06 | 83.86 | + | -231.87174436 | 2.3167E-06 | 83.90 | + | -231.87174444 | 2.3152E-06 | 83.93 | + | -231.87174423 | 2.2420E-06 | 83.97 | + | -231.87174421 | 2.2403E-06 | 84.01 | + | -231.87174414 | 2.2386E-06 | 84.05 | + | -231.87174418 | 2.2371E-06 | 84.08 | + | -231.87174416 | 2.2354E-06 | 84.12 | + | -231.87174425 | 2.2341E-06 | 84.16 | + | -231.87174432 | 2.2324E-06 | 84.19 | + | -231.87174432 | 2.2310E-06 | 84.23 | + | -231.87174429 | 2.2293E-06 | 84.27 | + | -231.87174424 | 2.2275E-06 | 84.31 | + | -231.87174422 | 2.2259E-06 | 84.34 | + | -231.87174436 | 2.2244E-06 | 84.38 | + | -231.87174454 | 2.2233E-06 | 84.42 | + | -231.87174454 | 2.2221E-06 | 84.46 | + | -231.87174456 | 2.2206E-06 | 84.49 | + | -231.87174384 | 2.1523E-06 | 84.53 | + | -231.87174379 | 2.1505E-06 | 84.57 | + | -231.87174383 | 2.1490E-06 | 84.60 | + | -231.87174382 | 2.1476E-06 | 84.64 | + | -231.87174399 | 2.1461E-06 | 84.68 | + | -231.87174393 | 2.1443E-06 | 84.71 | + | -231.87174389 | 2.1425E-06 | 84.75 | + | -231.87174386 | 2.1409E-06 | 84.79 | + | -231.87174399 | 2.1393E-06 | 84.83 | + | -231.87174411 | 2.1381E-06 | 84.86 | + | -231.87174412 | 2.1364E-06 | 84.90 | + | -231.87174410 | 2.1350E-06 | 84.94 | + | -231.87174401 | 2.1333E-06 | 84.98 | + | -231.87174407 | 2.1318E-06 | 85.01 | + | -231.87174401 | 2.1301E-06 | 85.05 | + | -231.87174310 | 2.0660E-06 | 85.09 | + | -231.87174308 | 2.0645E-06 | 85.13 | + | -231.87174301 | 2.0631E-06 | 85.16 | + | -231.87174297 | 2.0613E-06 | 85.20 | + | -231.87174292 | 2.0597E-06 | 85.24 | + | -231.87174287 | 2.0578E-06 | 85.27 | + | -231.87174287 | 2.0562E-06 | 85.31 | + | -231.87174279 | 2.0546E-06 | 85.35 | + | -231.87174273 | 2.0530E-06 | 85.39 | + | -231.87174276 | 2.0516E-06 | 85.42 | + | -231.87174280 | 2.0500E-06 | 85.46 | + | -231.87174282 | 2.0486E-06 | 85.50 | + | -231.87174298 | 2.0478E-06 | 85.53 | + | -231.87174303 | 2.0463E-06 | 85.57 | + | -231.87174304 | 2.0452E-06 | 85.61 | + | -231.87174223 | 1.9878E-06 | 85.65 | + | -231.87174225 | 1.9864E-06 | 85.68 | + | -231.87174227 | 1.9854E-06 | 85.72 | + | -231.87174233 | 1.9837E-06 | 85.76 | + | -231.87174236 | 1.9821E-06 | 85.80 | + | -231.87174236 | 1.9806E-06 | 85.83 | + | -231.87174240 | 1.9791E-06 | 85.87 | + | -231.87174258 | 1.9780E-06 | 85.91 | + | -231.87174251 | 1.9763E-06 | 85.94 | + | -231.87174263 | 1.9753E-06 | 85.98 | + | -231.87174259 | 1.9734E-06 | 86.02 | + | -231.87174257 | 1.9717E-06 | 86.06 | + | -231.87174267 | 1.9704E-06 | 86.09 | + | -231.87174268 | 1.9690E-06 | 86.13 | + | -231.87174260 | 1.9174E-06 | 86.17 | + | -231.87174252 | 1.9157E-06 | 86.20 | + | -231.87174250 | 1.9142E-06 | 86.24 | + | -231.87174245 | 1.9127E-06 | 86.28 | + | -231.87174247 | 1.9112E-06 | 86.32 | + | -231.87174240 | 1.9095E-06 | 86.35 | + | -231.87174244 | 1.9081E-06 | 86.39 | + | -231.87174246 | 1.9066E-06 | 86.43 | + | -231.87174244 | 1.9051E-06 | 86.47 | + | -231.87174239 | 1.9035E-06 | 86.50 | + | -231.87174245 | 1.9020E-06 | 86.54 | + | -231.87174246 | 1.9006E-06 | 86.58 | + | -231.87174237 | 1.8989E-06 | 86.61 | + | -231.87174257 | 1.8471E-06 | 86.65 | + | -231.87174264 | 1.8458E-06 | 86.69 | + | -231.87174272 | 1.8447E-06 | 86.73 | + | -231.87174265 | 1.8431E-06 | 86.76 | + | -231.87174256 | 1.8413E-06 | 86.80 | + | -231.87174260 | 1.8400E-06 | 86.84 | + | -231.87174252 | 1.8383E-06 | 86.88 | + | -231.87174256 | 1.8371E-06 | 86.91 | + | -231.87174241 | 1.8355E-06 | 86.95 | + | -231.87174244 | 1.8341E-06 | 86.99 | + | -231.87174240 | 1.8326E-06 | 87.02 | + | -231.87174255 | 1.8314E-06 | 87.06 | + | -231.87174241 | 1.8295E-06 | 87.10 | + | -231.87174285 | 1.7800E-06 | 87.14 | + | -231.87174295 | 1.7785E-06 | 87.17 | + | -231.87174304 | 1.7772E-06 | 87.21 | + | -231.87174309 | 1.7759E-06 | 87.25 | + | -231.87174310 | 1.7749E-06 | 87.29 | + | -231.87174306 | 1.7733E-06 | 87.32 | + | -231.87174317 | 1.7720E-06 | 87.36 | + | -231.87174320 | 1.7707E-06 | 87.40 | + | -231.87174319 | 1.7693E-06 | 87.44 | + | -231.87174316 | 1.7679E-06 | 87.47 | + | -231.87174319 | 1.7666E-06 | 87.51 | + | -231.87174319 | 1.7651E-06 | 87.55 | + | -231.87174318 | 1.7636E-06 | 87.58 | + | -231.87174314 | 1.7155E-06 | 87.62 | + | -231.87174316 | 1.7140E-06 | 87.66 | + | -231.87174315 | 1.7125E-06 | 87.70 | + | -231.87174303 | 1.7108E-06 | 87.73 | + | -231.87174307 | 1.7094E-06 | 87.77 | + | -231.87174301 | 1.7078E-06 | 87.81 | + | -231.87174300 | 1.7063E-06 | 87.85 | + | -231.87174307 | 1.7049E-06 | 87.88 | + | -231.87174314 | 1.7036E-06 | 87.92 | + | -231.87174312 | 1.7022E-06 | 87.96 | + | -231.87174320 | 1.7007E-06 | 87.99 | + | -231.87174348 | 1.6492E-06 | 88.03 | + | -231.87174335 | 1.6478E-06 | 88.07 | + | -231.87174324 | 1.6463E-06 | 88.11 | + | -231.87174318 | 1.6448E-06 | 88.14 | + | -231.87174306 | 1.6432E-06 | 88.18 | + | -231.87174311 | 1.6418E-06 | 88.22 | + | -231.87174313 | 1.6404E-06 | 88.26 | + | -231.87174323 | 1.6392E-06 | 88.29 | + | -231.87174320 | 1.6377E-06 | 88.33 | + | -231.87174318 | 1.6361E-06 | 88.37 | + | -231.87174318 | 1.6347E-06 | 88.41 | + | -231.87174318 | 1.6332E-06 | 88.44 | + | -231.87174266 | 1.5840E-06 | 88.48 | + | -231.87174258 | 1.5825E-06 | 88.52 | + | -231.87174244 | 1.5814E-06 | 88.56 | + | -231.87174249 | 1.5805E-06 | 88.59 | + | -231.87174252 | 1.5791E-06 | 88.63 | + | -231.87174253 | 1.5778E-06 | 88.67 | + | -231.87174248 | 1.5765E-06 | 88.70 | + | -231.87174247 | 1.5754E-06 | 88.74 | + | -231.87174241 | 1.5739E-06 | 88.78 | + | -231.87174236 | 1.5723E-06 | 88.82 | + | -231.87174229 | 1.5708E-06 | 88.85 | + | -231.87174185 | 1.5257E-06 | 88.89 | + | -231.87174186 | 1.5245E-06 | 88.93 | + | -231.87174180 | 1.5231E-06 | 88.97 | + | -231.87174186 | 1.5219E-06 | 89.00 | + | -231.87174179 | 1.5204E-06 | 89.04 | + | -231.87174176 | 1.5192E-06 | 89.08 | + | -231.87174183 | 1.5182E-06 | 89.12 | + | -231.87174185 | 1.5170E-06 | 89.15 | + | -231.87174191 | 1.5159E-06 | 89.19 | + | -231.87174190 | 1.5145E-06 | 89.23 | + | -231.87174193 | 1.5132E-06 | 89.26 | + | -231.87174202 | 1.4722E-06 | 89.30 | + | -231.87174197 | 1.4709E-06 | 89.34 | + | -231.87174189 | 1.4694E-06 | 89.38 | + | -231.87174185 | 1.4681E-06 | 89.41 | + | -231.87174176 | 1.4666E-06 | 89.45 | + | -231.87174173 | 1.4655E-06 | 89.49 | + | -231.87174173 | 1.4641E-06 | 89.53 | + | -231.87174174 | 1.4627E-06 | 89.56 | + | -231.87174167 | 1.4613E-06 | 89.60 | + | -231.87174166 | 1.4599E-06 | 89.64 | + | -231.87174167 | 1.4257E-06 | 89.67 | + | -231.87174178 | 1.4250E-06 | 89.71 | + | -231.87174188 | 1.4239E-06 | 89.75 | + | -231.87174186 | 1.4226E-06 | 89.79 | + | -231.87174183 | 1.4214E-06 | 89.82 | + | -231.87174180 | 1.4201E-06 | 89.86 | + | -231.87174180 | 1.4189E-06 | 89.90 | + | -231.87174185 | 1.4176E-06 | 89.94 | + | -231.87174194 | 1.4168E-06 | 89.97 | + | -231.87174183 | 1.4153E-06 | 90.01 | + | -231.87174188 | 1.3801E-06 | 90.05 | + | -231.87174193 | 1.3790E-06 | 90.08 | + | -231.87174193 | 1.3777E-06 | 90.12 | + | -231.87174197 | 1.3765E-06 | 90.16 | + | -231.87174193 | 1.3752E-06 | 90.20 | + | -231.87174198 | 1.3740E-06 | 90.23 | + | -231.87174191 | 1.3727E-06 | 90.27 | + | -231.87174190 | 1.3714E-06 | 90.31 | + | -231.87174191 | 1.3701E-06 | 90.34 | + | -231.87174203 | 1.3694E-06 | 90.38 | + | -231.87174197 | 1.3293E-06 | 90.42 | + | -231.87174196 | 1.3281E-06 | 90.46 | + | -231.87174192 | 1.3268E-06 | 90.49 | + | -231.87174196 | 1.3255E-06 | 90.53 | + | -231.87174196 | 1.3241E-06 | 90.57 | + | -231.87174201 | 1.3231E-06 | 90.60 | + | -231.87174196 | 1.3218E-06 | 90.64 | + | -231.87174190 | 1.3204E-06 | 90.68 | + | -231.87174185 | 1.3190E-06 | 90.72 | + | -231.87174166 | 1.2737E-06 | 90.75 | + | -231.87174165 | 1.2723E-06 | 90.79 | + | -231.87174159 | 1.2710E-06 | 90.83 | + | -231.87174149 | 1.2696E-06 | 90.87 | + | -231.87174150 | 1.2683E-06 | 90.90 | + | -231.87174145 | 1.2671E-06 | 90.94 | + | -231.87174144 | 1.2660E-06 | 90.98 | + | -231.87174145 | 1.2648E-06 | 91.01 | + | -231.87174153 | 1.2638E-06 | 91.05 | + | -231.87174161 | 1.2217E-06 | 91.09 | + | -231.87174154 | 1.2203E-06 | 91.13 | + | -231.87174153 | 1.2192E-06 | 91.16 | + | -231.87174154 | 1.2179E-06 | 91.20 | + | -231.87174146 | 1.2166E-06 | 91.24 | + | -231.87174139 | 1.2154E-06 | 91.27 | + | -231.87174141 | 1.2141E-06 | 91.31 | + | -231.87174138 | 1.2128E-06 | 91.35 | + | -231.87174095 | 1.1668E-06 | 91.39 | + | -231.87174090 | 1.1658E-06 | 91.42 | + | -231.87174091 | 1.1650E-06 | 91.46 | + | -231.87174093 | 1.1638E-06 | 91.50 | + | -231.87174101 | 1.1628E-06 | 91.54 | + | -231.87174103 | 1.1617E-06 | 91.57 | + | -231.87174099 | 1.1603E-06 | 91.61 | + | -231.87174099 | 1.1592E-06 | 91.65 | + | -231.87174102 | 1.1580E-06 | 91.68 | + | -231.87174071 | 1.0967E-06 | 91.72 | + | -231.87174071 | 1.0955E-06 | 91.76 | + | -231.87174074 | 1.0945E-06 | 91.80 | + | -231.87174084 | 1.0933E-06 | 91.83 | + | -231.87174080 | 1.0921E-06 | 91.87 | + | -231.87174083 | 1.0911E-06 | 91.91 | + | -231.87174085 | 1.0899E-06 | 91.94 | + | -231.87174088 | 1.0889E-06 | 91.98 | + | -231.87174095 | 1.0399E-06 | 92.02 | + | -231.87174090 | 1.0388E-06 | 92.06 | + | -231.87174093 | 1.0383E-06 | 92.09 | + | -231.87174099 | 1.0373E-06 | 92.13 | + | -231.87174095 | 1.0362E-06 | 92.17 | + | -231.87174091 | 1.0354E-06 | 92.20 | + | -231.87174090 | 1.0342E-06 | 92.24 | + | -231.87174091 | 1.0331E-06 | 92.28 | + | -231.87174072 | 9.8514E-07 | 92.32 | + | -231.87174067 | 9.8396E-07 | 92.35 | + | -231.87174071 | 9.8300E-07 | 92.39 | + | -231.87174070 | 9.8198E-07 | 92.43 | + | -231.87174069 | 9.8091E-07 | 92.47 | + | -231.87174066 | 9.7987E-07 | 92.50 | + | -231.87174068 | 9.7891E-07 | 92.54 | + | -231.87174053 | 9.3268E-07 | 92.58 | + | -231.87174049 | 9.3156E-07 | 92.61 | + | -231.87174052 | 9.3063E-07 | 92.65 | + | -231.87174044 | 9.2949E-07 | 92.69 | + | -231.87174040 | 9.2834E-07 | 92.73 | + | -231.87174040 | 9.2745E-07 | 92.76 | + | -231.87174044 | 9.2658E-07 | 92.80 | + | -231.87174047 | 9.2696E-07 | 92.84 | + | -231.87174066 | 8.8458E-07 | 92.88 | + | -231.87174067 | 8.8352E-07 | 92.91 | + | -231.87174064 | 8.8248E-07 | 92.95 | + | -231.87174058 | 8.8135E-07 | 92.99 | + | -231.87174065 | 8.8068E-07 | 93.02 | + | -231.87174065 | 8.7984E-07 | 93.06 | + | -231.87174060 | 8.7887E-07 | 93.10 | + | -231.87174068 | 8.4132E-07 | 93.14 | + | -231.87174072 | 8.4039E-07 | 93.17 | + | -231.87174075 | 8.3947E-07 | 93.21 | + | -231.87174071 | 8.3858E-07 | 93.25 | + | -231.87174059 | 8.3747E-07 | 93.28 | + | -231.87174061 | 8.3649E-07 | 93.32 | + | -231.87174071 | 8.3589E-07 | 93.36 | + | -231.87174051 | 7.9586E-07 | 93.40 | + | -231.87174050 | 7.9501E-07 | 93.43 | + | -231.87174048 | 7.9410E-07 | 93.47 | + | -231.87174047 | 7.9332E-07 | 93.51 | + | -231.87174047 | 7.9262E-07 | 93.55 | + | -231.87174049 | 7.9180E-07 | 93.58 | + | -231.87174048 | 7.9085E-07 | 93.62 | + | -231.87174027 | 7.5632E-07 | 93.66 | + | -231.87174025 | 7.5528E-07 | 93.69 | + | -231.87174029 | 7.5439E-07 | 93.73 | + | -231.87174026 | 7.5345E-07 | 93.77 | + | -231.87174024 | 7.5249E-07 | 93.81 | + | -231.87174021 | 7.5151E-07 | 93.84 | + | -231.87174014 | 7.1554E-07 | 93.88 | + | -231.87174020 | 7.1481E-07 | 93.92 | + | -231.87174022 | 7.1396E-07 | 93.96 | + | -231.87174022 | 7.1315E-07 | 93.99 | + | -231.87174023 | 7.1234E-07 | 94.03 | + | -231.87174026 | 7.1154E-07 | 94.07 | + | -231.87174024 | 7.1070E-07 | 94.11 | + | -231.87174042 | 6.7800E-07 | 94.14 | + | -231.87174042 | 6.7731E-07 | 94.18 | + | -231.87174048 | 6.7672E-07 | 94.22 | + | -231.87174049 | 6.7583E-07 | 94.26 | + | -231.87174050 | 6.7500E-07 | 94.29 | + | -231.87174049 | 6.7407E-07 | 94.33 | + | -231.87174058 | 6.4440E-07 | 94.37 | + | -231.87174056 | 6.4360E-07 | 94.40 | + | -231.87174061 | 6.4307E-07 | 94.44 | + | -231.87174061 | 6.4217E-07 | 94.48 | + | -231.87174061 | 6.4137E-07 | 94.52 | + | -231.87174061 | 6.4069E-07 | 94.55 | + | -231.87174072 | 6.1393E-07 | 94.59 | + | -231.87174069 | 6.1308E-07 | 94.63 | + | -231.87174069 | 6.1229E-07 | 94.67 | + | -231.87174076 | 6.1167E-07 | 94.70 | + | -231.87174079 | 6.1088E-07 | 94.74 | + | -231.87174081 | 6.1018E-07 | 94.78 | + | -231.87174061 | 5.7855E-07 | 94.81 | + | -231.87174060 | 5.7773E-07 | 94.85 | + | -231.87174060 | 5.7688E-07 | 94.89 | + | -231.87174057 | 5.7608E-07 | 94.93 | + | -231.87174058 | 5.7535E-07 | 94.96 | + | -231.87174077 | 5.4981E-07 | 95.00 | + | -231.87174071 | 5.4905E-07 | 95.04 | + | -231.87174069 | 5.4825E-07 | 95.08 | + | -231.87174067 | 5.4740E-07 | 95.11 | + | -231.87174067 | 5.4675E-07 | 95.15 | + | -231.87174067 | 5.4609E-07 | 95.19 | + | -231.87174070 | 5.2233E-07 | 95.23 | + | -231.87174069 | 5.2159E-07 | 95.26 | + | -231.87174071 | 5.2094E-07 | 95.30 | + | -231.87174072 | 5.2033E-07 | 95.34 | + | -231.87174072 | 5.1960E-07 | 95.37 | + | -231.87174074 | 4.9610E-07 | 95.41 | + | -231.87174073 | 4.9545E-07 | 95.45 | + | -231.87174071 | 4.9462E-07 | 95.49 | + | -231.87174071 | 4.9401E-07 | 95.52 | + | -231.87174069 | 4.9325E-07 | 95.56 | + | -231.87174061 | 4.7402E-07 | 95.60 | + | -231.87174061 | 4.7329E-07 | 95.64 | + | -231.87174061 | 4.7269E-07 | 95.67 | + | -231.87174059 | 4.7195E-07 | 95.71 | + | -231.87174061 | 4.7132E-07 | 95.75 | + | -231.87174058 | 4.5166E-07 | 95.79 | + | -231.87174056 | 4.5092E-07 | 95.82 | + | -231.87174053 | 4.5017E-07 | 95.86 | + | -231.87174057 | 4.4953E-07 | 95.90 | + | -231.87174058 | 4.4883E-07 | 95.94 | + | -231.87174047 | 4.2972E-07 | 95.97 | + | -231.87174047 | 4.2912E-07 | 96.01 | + | -231.87174048 | 4.2859E-07 | 96.05 | + | -231.87174048 | 4.2811E-07 | 96.08 | + | -231.87174048 | 4.2751E-07 | 96.12 | + | -231.87174041 | 4.1106E-07 | 96.16 | + | -231.87174041 | 4.1059E-07 | 96.20 | + | -231.87174044 | 4.0998E-07 | 96.23 | + | -231.87174045 | 4.0946E-07 | 96.27 | + | -231.87174047 | 4.0883E-07 | 96.31 | + | -231.87174056 | 3.9452E-07 | 96.35 | + | -231.87174054 | 3.9387E-07 | 96.38 | + | -231.87174059 | 3.9338E-07 | 96.42 | + | -231.87174059 | 3.9272E-07 | 96.46 | + | -231.87174045 | 3.7837E-07 | 96.50 | + | -231.87174046 | 3.7779E-07 | 96.53 | + | -231.87174047 | 3.7712E-07 | 96.57 | + | -231.87174048 | 3.7662E-07 | 96.61 | + | -231.87174048 | 3.7603E-07 | 96.65 | + | -231.87174054 | 3.6272E-07 | 96.68 | + | -231.87174056 | 3.6242E-07 | 96.72 | + | -231.87174056 | 3.6182E-07 | 96.76 | + | -231.87174055 | 3.6114E-07 | 96.79 | + | -231.87174046 | 3.4668E-07 | 96.83 | + | -231.87174044 | 3.4614E-07 | 96.87 | + | -231.87174041 | 3.4546E-07 | 96.91 | + | -231.87174043 | 3.4509E-07 | 96.94 | + | -231.87174038 | 3.3281E-07 | 96.98 | + | -231.87174039 | 3.3219E-07 | 97.02 | + | -231.87174037 | 3.3155E-07 | 97.06 | + | -231.87174038 | 3.3122E-07 | 97.09 | + | -231.87174025 | 3.1948E-07 | 97.13 | + | -231.87174022 | 3.1879E-07 | 97.17 | + | -231.87174022 | 3.1818E-07 | 97.21 | + | -231.87174023 | 3.1759E-07 | 97.24 | + | -231.87174039 | 3.0834E-07 | 97.28 | + | -231.87174039 | 3.0776E-07 | 97.32 | + | -231.87174040 | 3.0719E-07 | 97.35 | + | -231.87174044 | 3.0699E-07 | 97.39 | + | -231.87174043 | 2.9858E-07 | 97.43 | + | -231.87174046 | 2.9915E-07 | 97.47 | + | -231.87174046 | 2.9868E-07 | 97.50 | + | -231.87174047 | 2.9818E-07 | 97.54 | + | -231.87174056 | 2.9082E-07 | 97.58 | + | -231.87174056 | 2.9030E-07 | 97.62 | + | -231.87174054 | 2.8972E-07 | 97.65 | + | -231.87174052 | 2.8921E-07 | 97.69 | + | -231.87174053 | 2.8205E-07 | 97.73 | + | -231.87174055 | 2.8175E-07 | 97.77 | + | -231.87174057 | 2.8129E-07 | 97.80 | + | -231.87174058 | 2.8084E-07 | 97.84 | + | -231.87174057 | 2.7452E-07 | 97.88 | + | -231.87174060 | 2.7406E-07 | 97.91 | + | -231.87174059 | 2.7347E-07 | 97.95 | + | -231.87174065 | 2.6835E-07 | 97.99 | + | -231.87174066 | 2.6781E-07 | 98.03 | + | -231.87174065 | 2.6713E-07 | 98.06 | + | -231.87174067 | 2.6658E-07 | 98.10 | + | -231.87174064 | 2.6203E-07 | 98.14 | + | -231.87174061 | 2.6137E-07 | 98.18 | + | -231.87174063 | 2.6093E-07 | 98.21 | + | -231.87174064 | 2.6035E-07 | 98.25 | + | -231.87174066 | 2.5847E-07 | 98.29 | + | -231.87174065 | 2.5791E-07 | 98.32 | + | -231.87174065 | 2.5729E-07 | 98.36 | + | -231.87174069 | 2.5286E-07 | 98.40 | + | -231.87174072 | 2.5239E-07 | 98.44 | + | -231.87174070 | 2.5166E-07 | 98.47 | + | -231.87174071 | 2.5129E-07 | 98.51 | + | -231.87174076 | 2.4811E-07 | 98.55 | + | -231.87174075 | 2.4747E-07 | 98.58 | + | -231.87174076 | 2.4887E-07 | 98.62 | + | -231.87174074 | 2.4819E-07 | 98.66 | + | -231.87174077 | 2.4580E-07 | 98.70 | + | -231.87174077 | 2.4526E-07 | 98.73 | + | -231.87174077 | 2.4477E-07 | 98.77 | + | -231.87174075 | 2.4279E-07 | 98.81 | + | -231.87174076 | 2.4250E-07 | 98.85 | + | -231.87174075 | 2.4179E-07 | 98.88 | + | -231.87174075 | 2.4118E-07 | 98.92 | + | -231.87174074 | 2.3923E-07 | 98.96 | + | -231.87174075 | 2.3861E-07 | 99.00 | + | -231.87174074 | 2.3788E-07 | 99.03 | + | -231.87174075 | 2.3735E-07 | 99.07 | + | -231.87174074 | 2.3531E-07 | 99.11 | + | -231.87174073 | 2.3468E-07 | 99.14 | + | -231.87174071 | 2.3404E-07 | 99.18 | + | -231.87174072 | 2.3337E-07 | 99.22 | + | -231.87174073 | 2.3240E-07 | 99.26 | + | -231.87174071 | 2.3168E-07 | 99.29 | + | -231.87174071 | 2.3268E-07 | 99.33 | + | -231.87174070 | 2.3193E-07 | 99.37 | + | -231.87174074 | 2.2304E-07 | 99.40 | + | -231.87174072 | 2.2229E-07 | 99.44 | + | -231.87174072 | 2.2151E-07 | 99.48 | + | -231.87174069 | 2.2070E-07 | 99.52 | + | -231.87174068 | 2.1996E-07 | 99.55 | + | -231.87174070 | 2.1922E-07 | 99.59 | + | -231.87174067 | 1.8133E-07 | 99.63 | + | -231.87174066 | 1.8067E-07 | 99.67 | + | -231.87174067 | 1.8021E-07 | 99.71 | + | -231.87174065 | 1.7948E-07 | 99.75 | + | -231.87174063 | 1.7867E-07 | 99.79 | + | -231.87174062 | 1.7795E-07 | 99.83 | + | -231.87174060 | 1.7720E-07 | 99.87 | + | -231.87174059 | 1.7640E-07 | 99.91 | + | -231.87174058 | 1.7566E-07 | 99.95 | + | -231.87174060 | 1.7507E-07 | 99.99 | + | -231.87174055 | 2.1037E-19 | 100.00 | + |---------------+------------+--------| + + Time: 2812.08030200005 s + + E(CCSD(T)) = -231.871740549698 Ha + E(T) = -0.055915625992 Ha + Correlation = -1.077759385008 Ha + +Wall time: 3:22:37 + + + #+begin_src gnuplot :var data=benzene_qz :results file :file benzene_qz.png +reset +set grid +set style fill transparent solid 0.50 border +set yrange [-231.8725:-231.871] +set format y "%10.4f" +set ylabel "(T) (a.u)" +set xlabel "Wall clock time (s)" +#plot data using :1:2 w errorlines notitle, -231.871740549698 notitle +plot data u :($1+$2):($1-$2) w filledcurves ls 1 notitle, \ + data u :($1) w l ls 1 title "", -231.871740549698 notitle ls 2 + #+end_src + + #+RESULTS: + [[file:benzene_qz.png]] + ** Streptocyanine QZ *** Geometry