191 lines
17 KiB
Plaintext
191 lines
17 KiB
Plaintext
# Data exported on 2025-07-04 11:33:08.805215
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################################################################################
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# NOTES:
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#
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################################################################################
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# PARAMETERS:
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# GlobalParameters:
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# spectroscopy = PED
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# algorithm = inversion
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# polarization = None
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# dichroism = None
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# spinpol = False
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# folder = ./calc
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# MuffintinParameters:
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# charge_relaxation = True
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# ionicity = {}
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# relativistic_mode = non_relativistic
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# radius_overlapping = 0.0
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# interstitial_potential = 10.2 electron_volt
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# hydrogen_radius = 0.9 angstrom
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# TMatrixParameters:
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# potential = muffin_tin
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# exchange_correlation = hedin_lundqvist_complex
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# imaginery_part = 0.0
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# lmax_mode = true_ke
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# lmaxt = 19
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# tl_threshold = None
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# max_tl = None
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# PEDParameters:
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# level = 4d
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# final_state = 2
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# spin_orbit = None
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# SourceParameters:
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# energy = 1253.6 electron_volt
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# theta = 22.5 degree
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# phi = 0 degree
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# DetectorParameters:
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# angular_acceptance = 1 degree
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# average_sampling = low
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# rotate = False
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# ScanParameters:
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# type = phi
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# theta = [40.00] degree
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# phi = [0.00 2.00 4.00 ... 236.00 238.00 240.00] degree
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# kinetic_energy = 45 electron_volt
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# ke_array = [45.00] electron_volt
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# CalculationParameters:
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# RA_cutoff = 1
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# scattering_order = 3
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# renormalization_mode = None
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# renormalization_omega = (1+0j)
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# RA_cutoff_damping = 0
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# spin_flip = False
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# integrals = all
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# path_filtering = None
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# off_cone_events = 1
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# scattering_order_cutoff = 2
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# distance = 10.0 angstrom
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# vibrational_damping = debye_waller
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# temperature = 293.0 kelvin
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# debye_temperature = 420.0 kelvin
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# use_debye_model = False
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# vibration_scaling = 1.2
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# basis_functions = spherical
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# cutoff_factor = 0.01
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# mean_free_path = SeahDench
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################################################################################
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# DATA:
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# theta phi energy cross_section direct_signal experiment
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4.0000000000e+01 0.0000000000e+00 4.5000000000e+01 2.3490962628e-01 8.1019200000e+00 2.2738533528e-01
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4.0000000000e+01 2.0000000000e+00 4.5000000000e+01 2.3027772781e-01 8.1019200000e+00 2.1358763229e-01
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4.0000000000e+01 4.0000000000e+00 4.5000000000e+01 2.1385930195e-01 8.1019200000e+00 1.9252655923e-01
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4.0000000000e+01 6.0000000000e+00 4.5000000000e+01 1.8337975571e-01 8.1019200000e+00 1.8526318916e-01
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4.0000000000e+01 8.0000000000e+00 4.5000000000e+01 1.4021004832e-01 8.1019200000e+00 1.8526318916e-01
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4.0000000000e+01 1.0000000000e+01 4.5000000000e+01 9.1324909068e-02 8.1019200000e+00 1.8317058254e-01
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4.0000000000e+01 1.2000000000e+01 4.5000000000e+01 4.7385975687e-02 8.1019200000e+00 1.6369294730e-01
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4.0000000000e+01 1.4000000000e+01 4.5000000000e+01 1.9121055907e-02 8.1019200000e+00 1.2796086961e-01
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4.0000000000e+01 1.6000000000e+01 4.5000000000e+01 1.4509835547e-02 8.1019200000e+00 1.0404305099e-01
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4.0000000000e+01 1.8000000000e+01 4.5000000000e+01 3.7280579318e-02 8.1019200000e+00 3.0153786335e-02
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4.0000000000e+01 2.0000000000e+01 4.5000000000e+01 8.5989954570e-02 8.1019200000e+00 4.1064592241e-03
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4.0000000000e+01 2.2000000000e+01 4.5000000000e+01 1.5374387669e-01 8.1019200000e+00 1.9715504505e-02
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4.0000000000e+01 2.4000000000e+01 4.5000000000e+01 2.3007094662e-01 8.1019200000e+00 7.0075320338e-02
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4.0000000000e+01 2.6000000000e+01 4.5000000000e+01 3.0550472185e-01 8.1019200000e+00 1.9048795536e-01
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4.0000000000e+01 2.8000000000e+01 4.5000000000e+01 3.7581032376e-01 8.1019200000e+00 3.1015130221e-01
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4.0000000000e+01 3.0000000000e+01 4.5000000000e+01 4.4022266198e-01 8.1019200000e+00 4.0529064956e-01
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4.0000000000e+01 3.2000000000e+01 4.5000000000e+01 4.9388237873e-01 8.1019200000e+00 3.6786449270e-01
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4.0000000000e+01 3.4000000000e+01 4.5000000000e+01 5.2281106610e-01 8.1019200000e+00 3.0367579371e-01
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4.0000000000e+01 3.6000000000e+01 4.5000000000e+01 5.1048690765e-01 8.1019200000e+00 2.2147203400e-01
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4.0000000000e+01 3.8000000000e+01 4.5000000000e+01 4.5463531037e-01 8.1019200000e+00 2.2478780294e-01
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4.0000000000e+01 4.0000000000e+01 4.5000000000e+01 3.7965645374e-01 8.1019200000e+00 2.8370249036e-01
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4.0000000000e+01 4.2000000000e+01 4.5000000000e+01 3.3075270418e-01 8.1019200000e+00 3.4457130591e-01
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4.0000000000e+01 4.4000000000e+01 4.5000000000e+01 3.4985928541e-01 8.1019200000e+00 4.1141471158e-01
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4.0000000000e+01 4.6000000000e+01 4.5000000000e+01 4.4958984953e-01 8.1019200000e+00 5.6007228568e-01
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4.0000000000e+01 4.8000000000e+01 4.5000000000e+01 6.0446895491e-01 8.1019200000e+00 6.9692125814e-01
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4.0000000000e+01 5.0000000000e+01 4.5000000000e+01 7.6608912683e-01 8.1019200000e+00 8.1891797387e-01
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4.0000000000e+01 5.2000000000e+01 4.5000000000e+01 8.9088157021e-01 8.1019200000e+00 9.0807651650e-01
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4.0000000000e+01 5.4000000000e+01 4.5000000000e+01 9.6079428788e-01 8.1019200000e+00 9.5628072250e-01
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4.0000000000e+01 5.6000000000e+01 4.5000000000e+01 9.8500836430e-01 8.1019200000e+00 9.8882413059e-01
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4.0000000000e+01 5.8000000000e+01 4.5000000000e+01 9.8645583257e-01 8.1019200000e+00 9.8813366684e-01
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4.0000000000e+01 6.0000000000e+01 4.5000000000e+01 9.8558735161e-01 8.1019200000e+00 9.8736605630e-01
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4.0000000000e+01 6.2000000000e+01 4.5000000000e+01 9.9009518138e-01 8.1019200000e+00 9.9165589987e-01
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4.0000000000e+01 6.4000000000e+01 4.5000000000e+01 9.9181146519e-01 8.1019200000e+00 9.8563196795e-01
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4.0000000000e+01 6.6000000000e+01 4.5000000000e+01 9.6966520059e-01 8.1019200000e+00 9.6201176450e-01
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4.0000000000e+01 6.8000000000e+01 4.5000000000e+01 9.0006265470e-01 8.1019200000e+00 8.9300299850e-01
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4.0000000000e+01 7.0000000000e+01 4.5000000000e+01 7.7353324938e-01 8.1019200000e+00 8.0028702462e-01
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4.0000000000e+01 7.2000000000e+01 4.5000000000e+01 6.0854254419e-01 8.1019200000e+00 6.7449211537e-01
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4.0000000000e+01 7.4000000000e+01 4.5000000000e+01 4.4977595259e-01 8.1019200000e+00 5.3363193855e-01
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4.0000000000e+01 7.6000000000e+01 4.5000000000e+01 3.4686095827e-01 8.1019200000e+00 3.9588592039e-01
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4.0000000000e+01 7.8000000000e+01 4.5000000000e+01 3.2593470264e-01 8.1019200000e+00 3.3063859604e-01
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4.0000000000e+01 8.0000000000e+01 4.5000000000e+01 3.7415607430e-01 8.1019200000e+00 2.8306817232e-01
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4.0000000000e+01 8.2000000000e+01 4.5000000000e+01 4.4865933421e-01 8.1019200000e+00 2.1576228155e-01
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4.0000000000e+01 8.4000000000e+01 4.5000000000e+01 5.0345634746e-01 8.1019200000e+00 2.2399562412e-01
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4.0000000000e+01 8.6000000000e+01 4.5000000000e+01 5.1400218774e-01 8.1019200000e+00 3.1268268118e-01
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4.0000000000e+01 8.8000000000e+01 4.5000000000e+01 4.8304704479e-01 8.1019200000e+00 3.8360929489e-01
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4.0000000000e+01 9.0000000000e+01 4.5000000000e+01 4.2783646917e-01 8.1019200000e+00 3.9749400232e-01
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4.0000000000e+01 9.2000000000e+01 4.5000000000e+01 3.6267971869e-01 8.1019200000e+00 2.8902947605e-01
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4.0000000000e+01 9.4000000000e+01 4.5000000000e+01 2.9208462313e-01 8.1019200000e+00 1.6815444247e-01
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4.0000000000e+01 9.6000000000e+01 4.5000000000e+01 2.1611321683e-01 8.1019200000e+00 5.8572734281e-02
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4.0000000000e+01 9.8000000000e+01 4.5000000000e+01 1.3869434226e-01 8.1019200000e+00 1.8435189273e-02
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4.0000000000e+01 1.0000000000e+02 4.5000000000e+01 6.9873429238e-02 8.1019200000e+00 3.9489511991e-03
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4.0000000000e+01 1.0200000000e+02 4.5000000000e+01 2.1358428298e-02 8.1019200000e+00 5.4117507287e-02
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4.0000000000e+01 1.0400000000e+02 4.5000000000e+01 8.0644661013e-04 8.1019200000e+00 1.1687170461e-01
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4.0000000000e+01 1.0600000000e+02 4.5000000000e+01 9.0259985980e-03 8.1019200000e+00 1.4281702653e-01
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4.0000000000e+01 1.0800000000e+02 4.5000000000e+01 4.0371957990e-02 8.1019200000e+00 1.7708177232e-01
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4.0000000000e+01 1.1000000000e+02 4.5000000000e+01 8.4834047762e-02 8.1019200000e+00 1.8526318916e-01
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4.0000000000e+01 1.1200000000e+02 4.5000000000e+01 1.3088421701e-01 8.1019200000e+00 1.8276706198e-01
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4.0000000000e+01 1.1400000000e+02 4.5000000000e+01 1.6874791926e-01 8.1019200000e+00 1.8408052890e-01
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4.0000000000e+01 1.1600000000e+02 4.5000000000e+01 1.9342932116e-01 8.1019200000e+00 2.0232034394e-01
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4.0000000000e+01 1.1800000000e+02 4.5000000000e+01 2.0550534219e-01 8.1019200000e+00 2.2899941752e-01
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4.0000000000e+01 1.2000000000e+02 4.5000000000e+01 2.0852434745e-01 8.1019200000e+00 2.3204307259e-01
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4.0000000000e+01 1.2200000000e+02 4.5000000000e+01 2.0443008004e-01 8.1019200000e+00 2.1749833154e-01
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4.0000000000e+01 1.2400000000e+02 4.5000000000e+01 1.9134083122e-01 8.1019200000e+00 1.9030858908e-01
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4.0000000000e+01 1.2600000000e+02 4.5000000000e+01 1.6581162648e-01 8.1019200000e+00 1.8487166921e-01
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4.0000000000e+01 1.2800000000e+02 4.5000000000e+01 1.2747439532e-01 8.1019200000e+00 1.8708385335e-01
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4.0000000000e+01 1.3000000000e+02 4.5000000000e+01 8.1519345413e-02 8.1019200000e+00 1.8089234146e-01
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4.0000000000e+01 1.3200000000e+02 4.5000000000e+01 3.7718955424e-02 8.1019200000e+00 1.6560618764e-01
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4.0000000000e+01 1.3400000000e+02 4.5000000000e+01 7.3490032113e-03 8.1019200000e+00 1.3242149688e-01
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4.0000000000e+01 1.3600000000e+02 4.5000000000e+01 0.0000000000e+00 8.1019200000e+00 8.6951180163e-02
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4.0000000000e+01 1.3800000000e+02 4.5000000000e+01 2.0994493417e-02 8.1019200000e+00 1.8547695005e-02
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4.0000000000e+01 1.4000000000e+02 4.5000000000e+01 6.9538443723e-02 8.1019200000e+00 0.0000000000e+00
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4.0000000000e+01 1.4200000000e+02 4.5000000000e+01 1.3838210268e-01 8.1019200000e+00 2.9104107854e-02
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4.0000000000e+01 1.4400000000e+02 4.5000000000e+01 2.1644406672e-01 8.1019200000e+00 1.0101889691e-01
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4.0000000000e+01 1.4600000000e+02 4.5000000000e+01 2.9413175683e-01 8.1019200000e+00 2.3017997767e-01
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4.0000000000e+01 1.4800000000e+02 4.5000000000e+01 3.6749772024e-01 8.1019200000e+00 3.5275658009e-01
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4.0000000000e+01 1.5000000000e+02 4.5000000000e+01 4.3579754468e-01 8.1019200000e+00 3.9159870195e-01
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4.0000000000e+01 1.5200000000e+02 4.5000000000e+01 4.9357220695e-01 8.1019200000e+00 3.4640739946e-01
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4.0000000000e+01 1.5400000000e+02 4.5000000000e+01 5.2572668077e-01 8.1019200000e+00 2.6946697934e-01
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4.0000000000e+01 1.5600000000e+02 4.5000000000e+01 5.1522219672e-01 8.1019200000e+00 2.1580174510e-01
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4.0000000000e+01 1.5800000000e+02 4.5000000000e+01 4.6013568981e-01 8.1019200000e+00 2.2752034216e-01
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4.0000000000e+01 1.6000000000e+02 4.5000000000e+01 3.8590124544e-01 8.1019200000e+00 3.0687738540e-01
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4.0000000000e+01 1.6200000000e+02 4.5000000000e+01 3.3858971098e-01 8.1019200000e+00 3.5713369596e-01
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4.0000000000e+01 1.6400000000e+02 4.5000000000e+01 3.6032241322e-01 8.1019200000e+00 4.7068798155e-01
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4.0000000000e+01 1.6600000000e+02 4.5000000000e+01 4.6317537319e-01 8.1019200000e+00 6.4099240856e-01
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4.0000000000e+01 1.6800000000e+02 4.5000000000e+01 6.2088738076e-01 8.1019200000e+00 7.7679582775e-01
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4.0000000000e+01 1.7000000000e+02 4.5000000000e+01 7.8430654897e-01 8.1019200000e+00 8.6998807589e-01
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4.0000000000e+01 1.7200000000e+02 4.5000000000e+01 9.0942984225e-01 8.1019200000e+00 9.4653097575e-01
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4.0000000000e+01 1.7400000000e+02 4.5000000000e+01 9.7814322905e-01 8.1019200000e+00 9.8126037022e-01
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4.0000000000e+01 1.7600000000e+02 4.5000000000e+01 1.0000000000e+00 8.1019200000e+00 9.9921966024e-01
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4.0000000000e+01 1.7800000000e+02 4.5000000000e+01 9.9853185361e-01 8.1019200000e+00 9.9171627794e-01
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4.0000000000e+01 1.8000000000e+02 4.5000000000e+01 9.9476843609e-01 8.1019200000e+00 9.9782458916e-01
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4.0000000000e+01 1.8200000000e+02 4.5000000000e+01 9.9679489168e-01 8.1019200000e+00 1.0000000000e+00
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4.0000000000e+01 1.8400000000e+02 4.5000000000e+01 9.9675353544e-01 8.1019200000e+00 9.8756046621e-01
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4.0000000000e+01 1.8600000000e+02 4.5000000000e+01 9.7382150235e-01 8.1019200000e+00 9.4838687031e-01
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4.0000000000e+01 1.8800000000e+02 4.5000000000e+01 9.0467387506e-01 8.1019200000e+00 8.7131954373e-01
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4.0000000000e+01 1.9000000000e+02 4.5000000000e+01 7.7981939732e-01 8.1019200000e+00 7.7431748719e-01
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4.0000000000e+01 1.9200000000e+02 4.5000000000e+01 6.1728938820e-01 8.1019200000e+00 6.4990286255e-01
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4.0000000000e+01 1.9400000000e+02 4.5000000000e+01 4.6094213642e-01 8.1019200000e+00 5.1338728208e-01
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4.0000000000e+01 1.9600000000e+02 4.5000000000e+01 3.5955732285e-01 8.1019200000e+00 3.8546338936e-01
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4.0000000000e+01 1.9800000000e+02 4.5000000000e+01 3.3910666394e-01 8.1019200000e+00 3.1970978921e-01
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4.0000000000e+01 2.0000000000e+02 4.5000000000e+01 3.8724532313e-01 8.1019200000e+00 2.6255462716e-01
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4.0000000000e+01 2.0200000000e+02 4.5000000000e+01 4.6174858303e-01 8.1019200000e+00 2.1806740599e-01
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4.0000000000e+01 2.0400000000e+02 4.5000000000e+01 5.1664898688e-01 8.1019200000e+00 2.3135453751e-01
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4.0000000000e+01 2.0600000000e+02 4.5000000000e+01 5.2680194292e-01 8.1019200000e+00 3.2560013933e-01
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4.0000000000e+01 2.0800000000e+02 4.5000000000e+01 4.9439933168e-01 8.1019200000e+00 3.9011362629e-01
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4.0000000000e+01 2.1000000000e+02 4.5000000000e+01 4.3664534753e-01 8.1019200000e+00 4.1050529024e-01
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4.0000000000e+01 2.1200000000e+02 4.5000000000e+01 3.6851094803e-01 8.1019200000e+00 3.0397023728e-01
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4.0000000000e+01 2.1400000000e+02 4.5000000000e+01 2.9539312204e-01 8.1019200000e+00 1.5921766214e-01
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4.0000000000e+01 2.1600000000e+02 4.5000000000e+01 2.1799492559e-01 8.1019200000e+00 6.3149467465e-02
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4.0000000000e+01 2.1800000000e+02 4.5000000000e+01 1.4038994795e-01 8.1019200000e+00 1.7669025237e-02
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4.0000000000e+01 2.2000000000e+02 4.5000000000e+01 7.2396159660e-02 8.1019200000e+00 1.0125515895e-02
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4.0000000000e+01 2.2200000000e+02 4.5000000000e+01 2.5132184871e-02 8.1019200000e+00 5.6415999395e-02
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4.0000000000e+01 2.2400000000e+02 4.5000000000e+01 5.5479391153e-03 8.1019200000e+00 1.2594116670e-01
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4.0000000000e+01 2.2600000000e+02 4.5000000000e+01 1.3883288565e-02 8.1019200000e+00 1.5201774530e-01
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4.0000000000e+01 2.2800000000e+02 4.5000000000e+01 4.4360766993e-02 8.1019200000e+00 1.7752729502e-01
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4.0000000000e+01 2.3000000000e+02 4.5000000000e+01 8.7327828818e-02 8.1019200000e+00 1.8299807375e-01
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4.0000000000e+01 2.3200000000e+02 4.5000000000e+01 1.3182507139e-01 8.1019200000e+00 1.8384711701e-01
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4.0000000000e+01 2.3400000000e+02 4.5000000000e+01 1.6853286683e-01 8.1019200000e+00 1.8275206122e-01
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4.0000000000e+01 2.3600000000e+02 4.5000000000e+01 1.9256084019e-01 8.1019200000e+00 2.0682828790e-01
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4.0000000000e+01 2.3800000000e+02 4.5000000000e+01 2.0440940193e-01 8.1019200000e+00 2.2654829264e-01
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4.0000000000e+01 2.4000000000e+02 4.5000000000e+01 2.0742840719e-01 8.1019200000e+00 2.4034599563e-01
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