211 lines
16 KiB
Plaintext
211 lines
16 KiB
Plaintext
# Data exported on 2025-07-03 18:01:04.055793
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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 = 0.0 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 = 2p3/2
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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 = -55.0 degree
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# phi = 0.0 degree
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# DetectorParameters:
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# angular_acceptance = 0.0 degree
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# average_sampling = None
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# rotate = False
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# ScanParameters:
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# type = theta
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# theta = [-70.00 -69.00 -68.00 ... 68.00 69.00 70.00] degree
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# phi = [0.00] degree
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# kinetic_energy = 316.39999999999986 electron_volt
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# ke_array = [316.40] 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
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-7.0000000000e+01 0.0000000000e+00 3.1640000000e+02 1.9893800000e-02 3.4092400000e-02
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-6.9000000000e+01 0.0000000000e+00 3.1640000000e+02 2.3917700000e-02 3.5842000000e-02
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-6.8000000000e+01 0.0000000000e+00 3.1640000000e+02 2.9026000000e-02 3.7506200000e-02
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-6.7000000000e+01 0.0000000000e+00 3.1640000000e+02 3.4548100000e-02 3.9089100000e-02
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-6.6000000000e+01 0.0000000000e+00 3.1640000000e+02 3.9323600000e-02 4.0594500000e-02
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-6.5000000000e+01 0.0000000000e+00 3.1640000000e+02 4.1936600000e-02 4.2026600000e-02
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-6.4000000000e+01 0.0000000000e+00 3.1640000000e+02 4.1254700000e-02 4.3389100000e-02
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-6.3000000000e+01 0.0000000000e+00 3.1640000000e+02 3.7020500000e-02 4.4685900000e-02
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-6.2000000000e+01 0.0000000000e+00 3.1640000000e+02 3.0135100000e-02 4.5920600000e-02
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-6.1000000000e+01 0.0000000000e+00 3.1640000000e+02 2.2422100000e-02 4.7096600000e-02
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-6.0000000000e+01 0.0000000000e+00 3.1640000000e+02 1.5965400000e-02 4.8217200000e-02
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-5.9000000000e+01 0.0000000000e+00 3.1640000000e+02 1.2388600000e-02 4.9285400000e-02
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-5.8000000000e+01 0.0000000000e+00 3.1640000000e+02 1.2461700000e-02 5.0304100000e-02
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-5.7000000000e+01 0.0000000000e+00 3.1640000000e+02 1.6178300000e-02 5.1276100000e-02
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-5.6000000000e+01 0.0000000000e+00 3.1640000000e+02 2.3120200000e-02 5.2203900000e-02
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-5.5000000000e+01 0.0000000000e+00 3.1640000000e+02 3.2773400000e-02 5.3089800000e-02
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-5.4000000000e+01 0.0000000000e+00 3.1640000000e+02 4.4609300000e-02 5.3936100000e-02
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-5.3000000000e+01 0.0000000000e+00 3.1640000000e+02 5.8017100000e-02 5.4744800000e-02
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-5.2000000000e+01 0.0000000000e+00 3.1640000000e+02 7.2342900000e-02 5.5517900000e-02
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-5.1000000000e+01 0.0000000000e+00 3.1640000000e+02 8.7113400000e-02 5.6257200000e-02
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-5.0000000000e+01 0.0000000000e+00 3.1640000000e+02 1.0221800000e-01 5.6964400000e-02
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-4.9000000000e+01 0.0000000000e+00 3.1640000000e+02 1.1768700000e-01 5.7641100000e-02
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-4.8000000000e+01 0.0000000000e+00 3.1640000000e+02 1.3299600000e-01 5.8288800000e-02
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-4.7000000000e+01 0.0000000000e+00 3.1640000000e+02 1.4639400000e-01 5.8908900000e-02
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-4.6000000000e+01 0.0000000000e+00 3.1640000000e+02 1.5500100000e-01 5.9502500000e-02
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-4.5000000000e+01 0.0000000000e+00 3.1640000000e+02 1.5601400000e-01 6.0071100000e-02
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-4.4000000000e+01 0.0000000000e+00 3.1640000000e+02 1.4843000000e-01 6.0615700000e-02
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-4.3000000000e+01 0.0000000000e+00 3.1640000000e+02 1.3399300000e-01 6.1137300000e-02
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-4.2000000000e+01 0.0000000000e+00 3.1640000000e+02 1.1643700000e-01 6.1637100000e-02
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-4.1000000000e+01 0.0000000000e+00 3.1640000000e+02 9.9315200000e-02 6.2115900000e-02
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-4.0000000000e+01 0.0000000000e+00 3.1640000000e+02 8.4039300000e-02 6.2574500000e-02
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-3.9000000000e+01 0.0000000000e+00 3.1640000000e+02 6.9714600000e-02 6.3013900000e-02
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-3.8000000000e+01 0.0000000000e+00 3.1640000000e+02 5.4980600000e-02 6.3434800000e-02
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-3.7000000000e+01 0.0000000000e+00 3.1640000000e+02 4.0244400000e-02 6.3838000000e-02
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-3.6000000000e+01 0.0000000000e+00 3.1640000000e+02 2.8251700000e-02 6.4224000000e-02
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-3.5000000000e+01 0.0000000000e+00 3.1640000000e+02 2.2347200000e-02 6.4593700000e-02
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-3.4000000000e+01 0.0000000000e+00 3.1640000000e+02 2.3892000000e-02 6.4947500000e-02
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-3.3000000000e+01 0.0000000000e+00 3.1640000000e+02 3.1126800000e-02 6.5286000000e-02
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-3.2000000000e+01 0.0000000000e+00 3.1640000000e+02 4.0449600000e-02 6.5609800000e-02
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-3.1000000000e+01 0.0000000000e+00 3.1640000000e+02 4.8856500000e-02 6.5919400000e-02
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-3.0000000000e+01 0.0000000000e+00 3.1640000000e+02 5.5358700000e-02 6.6215200000e-02
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-2.9000000000e+01 0.0000000000e+00 3.1640000000e+02 6.0396200000e-02 6.6497800000e-02
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-2.8000000000e+01 0.0000000000e+00 3.1640000000e+02 6.4276000000e-02 6.6767400000e-02
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-2.7000000000e+01 0.0000000000e+00 3.1640000000e+02 6.6384200000e-02 6.7024600000e-02
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-2.6000000000e+01 0.0000000000e+00 3.1640000000e+02 6.5765900000e-02 6.7269600000e-02
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-2.5000000000e+01 0.0000000000e+00 3.1640000000e+02 6.2119000000e-02 6.7502800000e-02
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-2.4000000000e+01 0.0000000000e+00 3.1640000000e+02 5.6049700000e-02 6.7724600000e-02
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-2.3000000000e+01 0.0000000000e+00 3.1640000000e+02 4.8538800000e-02 6.7935300000e-02
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-2.2000000000e+01 0.0000000000e+00 3.1640000000e+02 4.0454800000e-02 6.8135000000e-02
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-2.1000000000e+01 0.0000000000e+00 3.1640000000e+02 3.2597200000e-02 6.8324300000e-02
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-2.0000000000e+01 0.0000000000e+00 3.1640000000e+02 2.5878600000e-02 6.8503100000e-02
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-1.9000000000e+01 0.0000000000e+00 3.1640000000e+02 2.1165000000e-02 6.8671900000e-02
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-1.8000000000e+01 0.0000000000e+00 3.1640000000e+02 1.8990900000e-02 6.8830700000e-02
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-1.7000000000e+01 0.0000000000e+00 3.1640000000e+02 1.9675700000e-02 6.8980000000e-02
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-1.6000000000e+01 0.0000000000e+00 3.1640000000e+02 2.3707500000e-02 6.9119700000e-02
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-1.5000000000e+01 0.0000000000e+00 3.1640000000e+02 3.1630900000e-02 6.9250100000e-02
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-1.4000000000e+01 0.0000000000e+00 3.1640000000e+02 4.3208800000e-02 6.9371300000e-02
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-1.3000000000e+01 0.0000000000e+00 3.1640000000e+02 5.6791300000e-02 6.9483600000e-02
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-1.2000000000e+01 0.0000000000e+00 3.1640000000e+02 6.9942200000e-02 6.9587000000e-02
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-1.1000000000e+01 0.0000000000e+00 3.1640000000e+02 8.0998600000e-02 6.9681800000e-02
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-1.0000000000e+01 0.0000000000e+00 3.1640000000e+02 9.0021500000e-02 6.9767800000e-02
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-9.0000000000e+00 0.0000000000e+00 3.1640000000e+02 9.8169700000e-02 6.9845400000e-02
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-8.0000000000e+00 0.0000000000e+00 3.1640000000e+02 1.0628000000e-01 6.9914600000e-02
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-7.0000000000e+00 0.0000000000e+00 3.1640000000e+02 1.1422600000e-01 6.9975400000e-02
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-6.0000000000e+00 0.0000000000e+00 3.1640000000e+02 1.2145700000e-01 7.0028000000e-02
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-5.0000000000e+00 0.0000000000e+00 3.1640000000e+02 1.2769000000e-01 7.0072400000e-02
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-4.0000000000e+00 0.0000000000e+00 3.1640000000e+02 1.3278200000e-01 7.0108600000e-02
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-3.0000000000e+00 0.0000000000e+00 3.1640000000e+02 1.3611900000e-01 7.0136800000e-02
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-2.0000000000e+00 0.0000000000e+00 3.1640000000e+02 1.3661000000e-01 7.0156800000e-02
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-1.0000000000e+00 0.0000000000e+00 3.1640000000e+02 1.3350700000e-01 7.0168900000e-02
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0.0000000000e+00 0.0000000000e+00 3.1640000000e+02 1.2725300000e-01 7.0172900000e-02
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1.0000000000e+00 0.0000000000e+00 3.1640000000e+02 1.1949600000e-01 7.0168900000e-02
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2.0000000000e+00 0.0000000000e+00 3.1640000000e+02 1.1234000000e-01 7.0156900000e-02
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3.0000000000e+00 0.0000000000e+00 3.1640000000e+02 1.0742600000e-01 7.0136800000e-02
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4.0000000000e+00 0.0000000000e+00 3.1640000000e+02 1.0527600000e-01 7.0108600000e-02
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5.0000000000e+00 0.0000000000e+00 3.1640000000e+02 1.0501300000e-01 7.0072400000e-02
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6.0000000000e+00 0.0000000000e+00 3.1640000000e+02 1.0478000000e-01 7.0028000000e-02
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7.0000000000e+00 0.0000000000e+00 3.1640000000e+02 1.0286800000e-01 6.9975500000e-02
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8.0000000000e+00 0.0000000000e+00 3.1640000000e+02 9.8913900000e-02 6.9914600000e-02
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9.0000000000e+00 0.0000000000e+00 3.1640000000e+02 9.3978800000e-02 6.9845400000e-02
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1.0000000000e+01 0.0000000000e+00 3.1640000000e+02 8.9236300000e-02 6.9767900000e-02
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1.1000000000e+01 0.0000000000e+00 3.1640000000e+02 8.4494900000e-02 6.9681800000e-02
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1.2000000000e+01 0.0000000000e+00 3.1640000000e+02 7.8135200000e-02 6.9587100000e-02
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1.3000000000e+01 0.0000000000e+00 3.1640000000e+02 6.8642200000e-02 6.9483700000e-02
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1.4000000000e+01 0.0000000000e+00 3.1640000000e+02 5.6216200000e-02 6.9371500000e-02
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1.5000000000e+01 0.0000000000e+00 3.1640000000e+02 4.2962200000e-02 6.9250200000e-02
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1.6000000000e+01 0.0000000000e+00 3.1640000000e+02 3.1662100000e-02 6.9119800000e-02
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1.7000000000e+01 0.0000000000e+00 3.1640000000e+02 2.4375700000e-02 6.8980100000e-02
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1.8000000000e+01 0.0000000000e+00 3.1640000000e+02 2.1876300000e-02 6.8830900000e-02
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1.9000000000e+01 0.0000000000e+00 3.1640000000e+02 2.3877300000e-02 6.8672000000e-02
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2.0000000000e+01 0.0000000000e+00 3.1640000000e+02 2.9460000000e-02 6.8503200000e-02
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2.1000000000e+01 0.0000000000e+00 3.1640000000e+02 3.7366000000e-02 6.8324400000e-02
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2.2000000000e+01 0.0000000000e+00 3.1640000000e+02 4.6178700000e-02 6.8135200000e-02
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2.3000000000e+01 0.0000000000e+00 3.1640000000e+02 5.4433900000e-02 6.7935400000e-02
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2.4000000000e+01 0.0000000000e+00 3.1640000000e+02 6.0657800000e-02 6.7724800000e-02
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2.5000000000e+01 0.0000000000e+00 3.1640000000e+02 6.3482800000e-02 6.7503000000e-02
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2.6000000000e+01 0.0000000000e+00 3.1640000000e+02 6.2045000000e-02 6.7269700000e-02
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2.7000000000e+01 0.0000000000e+00 3.1640000000e+02 5.6532800000e-02 6.7024700000e-02
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2.8000000000e+01 0.0000000000e+00 3.1640000000e+02 4.8340100000e-02 6.6767600000e-02
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2.9000000000e+01 0.0000000000e+00 3.1640000000e+02 3.9456300000e-02 6.6497900000e-02
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3.0000000000e+01 0.0000000000e+00 3.1640000000e+02 3.1478500000e-02 6.6215400000e-02
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3.1000000000e+01 0.0000000000e+00 3.1640000000e+02 2.5121700000e-02 6.5919600000e-02
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3.2000000000e+01 0.0000000000e+00 3.1640000000e+02 2.0658200000e-02 6.5610000000e-02
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3.3000000000e+01 0.0000000000e+00 3.1640000000e+02 1.8733200000e-02 6.5286200000e-02
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3.4000000000e+01 0.0000000000e+00 3.1640000000e+02 2.0560800000e-02 6.4947600000e-02
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3.5000000000e+01 0.0000000000e+00 3.1640000000e+02 2.7152700000e-02 6.4593800000e-02
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3.6000000000e+01 0.0000000000e+00 3.1640000000e+02 3.8295500000e-02 6.4224200000e-02
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3.7000000000e+01 0.0000000000e+00 3.1640000000e+02 5.2351500000e-02 6.3838100000e-02
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3.8000000000e+01 0.0000000000e+00 3.1640000000e+02 6.7206300000e-02 6.3435000000e-02
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3.9000000000e+01 0.0000000000e+00 3.1640000000e+02 8.1581300000e-02 6.3014000000e-02
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4.0000000000e+01 0.0000000000e+00 3.1640000000e+02 9.5554400000e-02 6.2574700000e-02
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4.1000000000e+01 0.0000000000e+00 3.1640000000e+02 1.0983300000e-01 6.2116000000e-02
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4.2000000000e+01 0.0000000000e+00 3.1640000000e+02 1.2440300000e-01 6.1637200000e-02
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4.3000000000e+01 0.0000000000e+00 3.1640000000e+02 1.3766900000e-01 6.1137500000e-02
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4.4000000000e+01 0.0000000000e+00 3.1640000000e+02 1.4679200000e-01 6.0615800000e-02
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4.5000000000e+01 0.0000000000e+00 3.1640000000e+02 1.4896900000e-01 6.0071200000e-02
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4.6000000000e+01 0.0000000000e+00 3.1640000000e+02 1.4282800000e-01 5.9502600000e-02
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4.7000000000e+01 0.0000000000e+00 3.1640000000e+02 1.2911600000e-01 5.8909000000e-02
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4.8000000000e+01 0.0000000000e+00 3.1640000000e+02 1.1043200000e-01 5.8288900000e-02
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4.9000000000e+01 0.0000000000e+00 3.1640000000e+02 9.0270200000e-02 5.7641200000e-02
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5.0000000000e+01 0.0000000000e+00 3.1640000000e+02 7.1881000000e-02 5.6964500000e-02
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5.1000000000e+01 0.0000000000e+00 3.1640000000e+02 5.7359600000e-02 5.6257300000e-02
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5.2000000000e+01 0.0000000000e+00 3.1640000000e+02 4.7229400000e-02 5.5518000000e-02
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5.3000000000e+01 0.0000000000e+00 3.1640000000e+02 4.0611000000e-02 5.4744900000e-02
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5.4000000000e+01 0.0000000000e+00 3.1640000000e+02 3.5898700000e-02 5.3936100000e-02
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5.5000000000e+01 0.0000000000e+00 3.1640000000e+02 3.1682100000e-02 5.3089900000e-02
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5.6000000000e+01 0.0000000000e+00 3.1640000000e+02 2.7486000000e-02 5.2204200000e-02
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5.7000000000e+01 0.0000000000e+00 3.1640000000e+02 2.3934200000e-02 5.1276200000e-02
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5.8000000000e+01 0.0000000000e+00 3.1640000000e+02 2.2243700000e-02 5.0304200000e-02
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5.9000000000e+01 0.0000000000e+00 3.1640000000e+02 2.3335600000e-02 4.9285400000e-02
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6.0000000000e+01 0.0000000000e+00 3.1640000000e+02 2.7116700000e-02 4.8217200000e-02
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6.1000000000e+01 0.0000000000e+00 3.1640000000e+02 3.2373700000e-02 4.7096600000e-02
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6.2000000000e+01 0.0000000000e+00 3.1640000000e+02 3.7329700000e-02 4.5920600000e-02
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6.3000000000e+01 0.0000000000e+00 3.1640000000e+02 4.0488800000e-02 4.4685900000e-02
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6.4000000000e+01 0.0000000000e+00 3.1640000000e+02 4.1238200000e-02 4.3389100000e-02
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6.5000000000e+01 0.0000000000e+00 3.1640000000e+02 3.9880100000e-02 4.2026600000e-02
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6.6000000000e+01 0.0000000000e+00 3.1640000000e+02 3.7174600000e-02 4.0594600000e-02
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6.7000000000e+01 0.0000000000e+00 3.1640000000e+02 3.3783900000e-02 3.9089100000e-02
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6.8000000000e+01 0.0000000000e+00 3.1640000000e+02 3.0015900000e-02 3.7506300000e-02
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6.9000000000e+01 0.0000000000e+00 3.1640000000e+02 2.5990700000e-02 3.5842000000e-02
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7.0000000000e+01 0.0000000000e+00 3.1640000000e+02 2.2014900000e-02 3.4092400000e-02
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