211 lines
16 KiB
Plaintext
211 lines
16 KiB
Plaintext
# Data exported on 2025-07-03 17:31:05.187196
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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 1.4884900000e-02 3.4595300000e-02
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-6.9000000000e+01 0.0000000000e+00 3.1640000000e+02 1.8701400000e-02 3.6365700000e-02
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-6.8000000000e+01 0.0000000000e+00 3.1640000000e+02 2.3621600000e-02 3.8049500000e-02
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-6.7000000000e+01 0.0000000000e+00 3.1640000000e+02 2.9263200000e-02 3.9650700000e-02
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-6.6000000000e+01 0.0000000000e+00 3.1640000000e+02 3.4746900000e-02 4.1173500000e-02
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-6.5000000000e+01 0.0000000000e+00 3.1640000000e+02 3.8782000000e-02 4.2621900000e-02
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-6.4000000000e+01 0.0000000000e+00 3.1640000000e+02 4.0051800000e-02 4.3999800000e-02
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-6.3000000000e+01 0.0000000000e+00 3.1640000000e+02 3.7829300000e-02 4.5311100000e-02
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-6.2000000000e+01 0.0000000000e+00 3.1640000000e+02 3.2501200000e-02 4.6559600000e-02
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-6.1000000000e+01 0.0000000000e+00 3.1640000000e+02 2.5592300000e-02 4.7748600000e-02
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-6.0000000000e+01 0.0000000000e+00 3.1640000000e+02 1.9158000000e-02 4.8881500000e-02
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-5.9000000000e+01 0.0000000000e+00 3.1640000000e+02 1.4894500000e-02 4.9961400000e-02
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-5.8000000000e+01 0.0000000000e+00 3.1640000000e+02 1.3575700000e-02 5.0991300000e-02
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-5.7000000000e+01 0.0000000000e+00 3.1640000000e+02 1.5162200000e-02 5.1973800000e-02
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-5.6000000000e+01 0.0000000000e+00 3.1640000000e+02 1.9351600000e-02 5.2911500000e-02
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-5.5000000000e+01 0.0000000000e+00 3.1640000000e+02 2.5996400000e-02 5.3806900000e-02
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-5.4000000000e+01 0.0000000000e+00 3.1640000000e+02 3.5072100000e-02 5.4662300000e-02
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-5.3000000000e+01 0.0000000000e+00 3.1640000000e+02 4.6437600000e-02 5.5479600000e-02
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-5.2000000000e+01 0.0000000000e+00 3.1640000000e+02 5.9850800000e-02 5.6260900000e-02
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-5.1000000000e+01 0.0000000000e+00 3.1640000000e+02 7.5305200000e-02 5.7008000000e-02
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-5.0000000000e+01 0.0000000000e+00 3.1640000000e+02 9.3174100000e-02 5.7722700000e-02
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-4.9000000000e+01 0.0000000000e+00 3.1640000000e+02 1.1362800000e-01 5.8406400000e-02
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-4.8000000000e+01 0.0000000000e+00 3.1640000000e+02 1.3553800000e-01 5.9060900000e-02
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-4.7000000000e+01 0.0000000000e+00 3.1640000000e+02 1.5581900000e-01 5.9687400000e-02
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-4.6000000000e+01 0.0000000000e+00 3.1640000000e+02 1.7011200000e-01 6.0287300000e-02
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-4.5000000000e+01 0.0000000000e+00 3.1640000000e+02 1.7466500000e-01 6.0861700000e-02
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-4.4000000000e+01 0.0000000000e+00 3.1640000000e+02 1.6825800000e-01 6.1411900000e-02
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-4.3000000000e+01 0.0000000000e+00 3.1640000000e+02 1.5292800000e-01 6.1939000000e-02
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-4.2000000000e+01 0.0000000000e+00 3.1640000000e+02 1.3295000000e-01 6.2443900000e-02
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-4.1000000000e+01 0.0000000000e+00 3.1640000000e+02 1.1262900000e-01 6.2927600000e-02
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-4.0000000000e+01 0.0000000000e+00 3.1640000000e+02 9.4173900000e-02 6.3390900000e-02
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-3.9000000000e+01 0.0000000000e+00 3.1640000000e+02 7.7119700000e-02 6.3834800000e-02
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-3.8000000000e+01 0.0000000000e+00 3.1640000000e+02 5.9922400000e-02 6.4260000000e-02
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-3.7000000000e+01 0.0000000000e+00 3.1640000000e+02 4.2622200000e-02 6.4667300000e-02
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-3.6000000000e+01 0.0000000000e+00 3.1640000000e+02 2.8146000000e-02 6.5057300000e-02
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-3.5000000000e+01 0.0000000000e+00 3.1640000000e+02 2.0695600000e-02 6.5430700000e-02
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-3.4000000000e+01 0.0000000000e+00 3.1640000000e+02 2.2492000000e-02 6.5788100000e-02
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-3.3000000000e+01 0.0000000000e+00 3.1640000000e+02 3.1984800000e-02 6.6130000000e-02
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-3.2000000000e+01 0.0000000000e+00 3.1640000000e+02 4.5134500000e-02 6.6457100000e-02
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-3.1000000000e+01 0.0000000000e+00 3.1640000000e+02 5.8169800000e-02 6.6769800000e-02
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-3.0000000000e+01 0.0000000000e+00 3.1640000000e+02 6.9077500000e-02 6.7068700000e-02
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-2.9000000000e+01 0.0000000000e+00 3.1640000000e+02 7.7083800000e-02 6.7354000000e-02
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-2.8000000000e+01 0.0000000000e+00 3.1640000000e+02 8.1642500000e-02 6.7626400000e-02
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-2.7000000000e+01 0.0000000000e+00 3.1640000000e+02 8.2265500000e-02 6.7886100000e-02
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-2.6000000000e+01 0.0000000000e+00 3.1640000000e+02 7.8917800000e-02 6.8133600000e-02
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-2.5000000000e+01 0.0000000000e+00 3.1640000000e+02 7.2148400000e-02 6.8369200000e-02
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-2.4000000000e+01 0.0000000000e+00 3.1640000000e+02 6.2888700000e-02 6.8593200000e-02
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-2.3000000000e+01 0.0000000000e+00 3.1640000000e+02 5.2304700000e-02 6.8805900000e-02
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-2.2000000000e+01 0.0000000000e+00 3.1640000000e+02 4.1706800000e-02 6.9007700000e-02
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-2.1000000000e+01 0.0000000000e+00 3.1640000000e+02 3.2328400000e-02 6.9198800000e-02
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-2.0000000000e+01 0.0000000000e+00 3.1640000000e+02 2.5089300000e-02 6.9379500000e-02
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-1.9000000000e+01 0.0000000000e+00 3.1640000000e+02 2.0551700000e-02 6.9549900000e-02
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-1.8000000000e+01 0.0000000000e+00 3.1640000000e+02 1.8965500000e-02 6.9710400000e-02
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-1.7000000000e+01 0.0000000000e+00 3.1640000000e+02 2.0312300000e-02 6.9861100000e-02
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-1.6000000000e+01 0.0000000000e+00 3.1640000000e+02 2.4534700000e-02 7.0002200000e-02
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-1.5000000000e+01 0.0000000000e+00 3.1640000000e+02 3.1907900000e-02 7.0133900000e-02
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-1.4000000000e+01 0.0000000000e+00 3.1640000000e+02 4.2942200000e-02 7.0256400000e-02
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-1.3000000000e+01 0.0000000000e+00 3.1640000000e+02 5.7530800000e-02 7.0369800000e-02
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-1.2000000000e+01 0.0000000000e+00 3.1640000000e+02 7.4226700000e-02 7.0474200000e-02
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-1.1000000000e+01 0.0000000000e+00 3.1640000000e+02 9.0752700000e-02 7.0569900000e-02
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-1.0000000000e+01 0.0000000000e+00 3.1640000000e+02 1.0539500000e-01 7.0656800000e-02
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-9.0000000000e+00 0.0000000000e+00 3.1640000000e+02 1.1768500000e-01 7.0735100000e-02
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-8.0000000000e+00 0.0000000000e+00 3.1640000000e+02 1.2768900000e-01 7.0805000000e-02
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-7.0000000000e+00 0.0000000000e+00 3.1640000000e+02 1.3502600000e-01 7.0866400000e-02
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-6.0000000000e+00 0.0000000000e+00 3.1640000000e+02 1.3901200000e-01 7.0919500000e-02
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-5.0000000000e+00 0.0000000000e+00 3.1640000000e+02 1.3958800000e-01 7.0964400000e-02
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-4.0000000000e+00 0.0000000000e+00 3.1640000000e+02 1.3765400000e-01 7.1001000000e-02
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-3.0000000000e+00 0.0000000000e+00 3.1640000000e+02 1.3429700000e-01 7.1029400000e-02
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-2.0000000000e+00 0.0000000000e+00 3.1640000000e+02 1.2998600000e-01 7.1049600000e-02
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-1.0000000000e+00 0.0000000000e+00 3.1640000000e+02 1.2469100000e-01 7.1061800000e-02
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0.0000000000e+00 0.0000000000e+00 3.1640000000e+02 1.1862100000e-01 7.1065900000e-02
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1.0000000000e+00 0.0000000000e+00 3.1640000000e+02 1.1266700000e-01 7.1061900000e-02
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2.0000000000e+00 0.0000000000e+00 3.1640000000e+02 1.0822700000e-01 7.1049700000e-02
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3.0000000000e+00 0.0000000000e+00 3.1640000000e+02 1.0673400000e-01 7.1029400000e-02
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4.0000000000e+00 0.0000000000e+00 3.1640000000e+02 1.0899000000e-01 7.1001000000e-02
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5.0000000000e+00 0.0000000000e+00 3.1640000000e+02 1.1431500000e-01 7.0964400000e-02
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6.0000000000e+00 0.0000000000e+00 3.1640000000e+02 1.2010700000e-01 7.0919600000e-02
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7.0000000000e+00 0.0000000000e+00 3.1640000000e+02 1.2277900000e-01 7.0866500000e-02
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8.0000000000e+00 0.0000000000e+00 3.1640000000e+02 1.1998700000e-01 7.0805000000e-02
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9.0000000000e+00 0.0000000000e+00 3.1640000000e+02 1.1229000000e-01 7.0735200000e-02
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1.0000000000e+01 0.0000000000e+00 3.1640000000e+02 1.0244600000e-01 7.0656900000e-02
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1.1000000000e+01 0.0000000000e+00 3.1640000000e+02 9.2809000000e-02 7.0569900000e-02
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1.2000000000e+01 0.0000000000e+00 3.1640000000e+02 8.3429200000e-02 7.0474300000e-02
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1.3000000000e+01 0.0000000000e+00 3.1640000000e+02 7.2723000000e-02 7.0369900000e-02
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1.4000000000e+01 0.0000000000e+00 3.1640000000e+02 5.9779700000e-02 7.0256500000e-02
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1.5000000000e+01 0.0000000000e+00 3.1640000000e+02 4.5768300000e-02 7.0134000000e-02
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1.6000000000e+01 0.0000000000e+00 3.1640000000e+02 3.3243000000e-02 7.0002300000e-02
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1.7000000000e+01 0.0000000000e+00 3.1640000000e+02 2.4474200000e-02 6.9861200000e-02
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1.8000000000e+01 0.0000000000e+00 3.1640000000e+02 2.0517200000e-02 6.9710500000e-02
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1.9000000000e+01 0.0000000000e+00 3.1640000000e+02 2.1424200000e-02 6.9550100000e-02
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2.0000000000e+01 0.0000000000e+00 3.1640000000e+02 2.6791000000e-02 6.9379600000e-02
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2.1000000000e+01 0.0000000000e+00 3.1640000000e+02 3.5923200000e-02 6.9199000000e-02
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2.2000000000e+01 0.0000000000e+00 3.1640000000e+02 4.7624000000e-02 6.9007900000e-02
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2.3000000000e+01 0.0000000000e+00 3.1640000000e+02 5.9992500000e-02 6.8806100000e-02
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2.4000000000e+01 0.0000000000e+00 3.1640000000e+02 7.0568300000e-02 6.8593300000e-02
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2.5000000000e+01 0.0000000000e+00 3.1640000000e+02 7.6929400000e-02 6.8369300000e-02
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2.6000000000e+01 0.0000000000e+00 3.1640000000e+02 7.7519500000e-02 6.8133700000e-02
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2.7000000000e+01 0.0000000000e+00 3.1640000000e+02 7.2253600000e-02 6.7886300000e-02
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2.8000000000e+01 0.0000000000e+00 3.1640000000e+02 6.2580200000e-02 6.7626500000e-02
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2.9000000000e+01 0.0000000000e+00 3.1640000000e+02 5.0979000000e-02 6.7354200000e-02
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3.0000000000e+01 0.0000000000e+00 3.1640000000e+02 4.0040700000e-02 6.7068800000e-02
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3.1000000000e+01 0.0000000000e+00 3.1640000000e+02 3.1470300000e-02 6.6770000000e-02
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3.2000000000e+01 0.0000000000e+00 3.1640000000e+02 2.5727300000e-02 6.6457300000e-02
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3.3000000000e+01 0.0000000000e+00 3.1640000000e+02 2.2798400000e-02 6.6130200000e-02
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3.4000000000e+01 0.0000000000e+00 3.1640000000e+02 2.3367900000e-02 6.5788200000e-02
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3.5000000000e+01 0.0000000000e+00 3.1640000000e+02 2.8807900000e-02 6.5430800000e-02
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3.6000000000e+01 0.0000000000e+00 3.1640000000e+02 3.9636800000e-02 6.5057400000e-02
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3.7000000000e+01 0.0000000000e+00 3.1640000000e+02 5.4290100000e-02 6.4667400000e-02
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3.8000000000e+01 0.0000000000e+00 3.1640000000e+02 7.0062800000e-02 6.4260200000e-02
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3.9000000000e+01 0.0000000000e+00 3.1640000000e+02 8.5450600000e-02 6.3835000000e-02
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4.0000000000e+01 0.0000000000e+00 3.1640000000e+02 1.0118500000e-01 6.3391100000e-02
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4.1000000000e+01 0.0000000000e+00 3.1640000000e+02 1.1875300000e-01 6.2927700000e-02
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4.2000000000e+01 0.0000000000e+00 3.1640000000e+02 1.3807200000e-01 6.2444000000e-02
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4.3000000000e+01 0.0000000000e+00 3.1640000000e+02 1.5658700000e-01 6.1939100000e-02
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4.4000000000e+01 0.0000000000e+00 3.1640000000e+02 1.7015800000e-01 6.1412000000e-02
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4.5000000000e+01 0.0000000000e+00 3.1640000000e+02 1.7465700000e-01 6.0861900000e-02
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4.6000000000e+01 0.0000000000e+00 3.1640000000e+02 1.6755200000e-01 6.0287400000e-02
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4.7000000000e+01 0.0000000000e+00 3.1640000000e+02 1.4926400000e-01 5.9687500000e-02
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4.8000000000e+01 0.0000000000e+00 3.1640000000e+02 1.2360700000e-01 5.9061000000e-02
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4.9000000000e+01 0.0000000000e+00 3.1640000000e+02 9.6406500000e-02 5.8406600000e-02
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5.0000000000e+01 0.0000000000e+00 3.1640000000e+02 7.2744100000e-02 5.7722800000e-02
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5.1000000000e+01 0.0000000000e+00 3.1640000000e+02 5.4865200000e-02 5.7008100000e-02
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5.2000000000e+01 0.0000000000e+00 3.1640000000e+02 4.2290900000e-02 5.6261000000e-02
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5.3000000000e+01 0.0000000000e+00 3.1640000000e+02 3.3519100000e-02 5.5479700000e-02
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5.4000000000e+01 0.0000000000e+00 3.1640000000e+02 2.7436500000e-02 5.4662300000e-02
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5.5000000000e+01 0.0000000000e+00 3.1640000000e+02 2.3505400000e-02 5.3807000000e-02
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5.6000000000e+01 0.0000000000e+00 3.1640000000e+02 2.1404000000e-02 5.2911800000e-02
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5.7000000000e+01 0.0000000000e+00 3.1640000000e+02 2.1001000000e-02 5.1973800000e-02
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5.8000000000e+01 0.0000000000e+00 3.1640000000e+02 2.2522100000e-02 5.0991300000e-02
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5.9000000000e+01 0.0000000000e+00 3.1640000000e+02 2.6249500000e-02 4.9961500000e-02
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6.0000000000e+01 0.0000000000e+00 3.1640000000e+02 3.1802200000e-02 4.8881600000e-02
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6.1000000000e+01 0.0000000000e+00 3.1640000000e+02 3.7829600000e-02 4.7748700000e-02
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6.2000000000e+01 0.0000000000e+00 3.1640000000e+02 4.2616800000e-02 4.6559700000e-02
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6.3000000000e+01 0.0000000000e+00 3.1640000000e+02 4.5045400000e-02 4.5311200000e-02
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6.4000000000e+01 0.0000000000e+00 3.1640000000e+02 4.4961000000e-02 4.3999900000e-02
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6.5000000000e+01 0.0000000000e+00 3.1640000000e+02 4.2731100000e-02 4.2621900000e-02
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6.6000000000e+01 0.0000000000e+00 3.1640000000e+02 3.8678300000e-02 4.1173500000e-02
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6.7000000000e+01 0.0000000000e+00 3.1640000000e+02 3.3068800000e-02 3.9650800000e-02
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6.8000000000e+01 0.0000000000e+00 3.1640000000e+02 2.6521300000e-02 3.8049500000e-02
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6.9000000000e+01 0.0000000000e+00 3.1640000000e+02 2.0146700000e-02 3.6365700000e-02
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7.0000000000e+01 0.0000000000e+00 3.1640000000e+02 1.5068400000e-02 3.4595300000e-02
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