211 lines
16 KiB
Plaintext
211 lines
16 KiB
Plaintext
# Data exported on 2025-07-03 17:18:53.490261
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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 1.6760400000e-02 3.4558400000e-02
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-6.9000000000e+01 0.0000000000e+00 3.1640000000e+02 2.0208800000e-02 3.6326900000e-02
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-6.8000000000e+01 0.0000000000e+00 3.1640000000e+02 2.5146700000e-02 3.8008900000e-02
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-6.7000000000e+01 0.0000000000e+00 3.1640000000e+02 3.1090400000e-02 3.9608400000e-02
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-6.6000000000e+01 0.0000000000e+00 3.1640000000e+02 3.7059700000e-02 4.1129600000e-02
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-6.5000000000e+01 0.0000000000e+00 3.1640000000e+02 4.1600100000e-02 4.2576400000e-02
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-6.4000000000e+01 0.0000000000e+00 3.1640000000e+02 4.3156800000e-02 4.3952800000e-02
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-6.3000000000e+01 0.0000000000e+00 3.1640000000e+02 4.0828700000e-02 4.5262800000e-02
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-6.2000000000e+01 0.0000000000e+00 3.1640000000e+02 3.5043300000e-02 4.6509900000e-02
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-6.1000000000e+01 0.0000000000e+00 3.1640000000e+02 2.7554100000e-02 4.7697700000e-02
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-6.0000000000e+01 0.0000000000e+00 3.1640000000e+02 2.0646600000e-02 4.8829300000e-02
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-5.9000000000e+01 0.0000000000e+00 3.1640000000e+02 1.6104400000e-02 4.9908100000e-02
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-5.8000000000e+01 0.0000000000e+00 3.1640000000e+02 1.4639300000e-02 5.0936800000e-02
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-5.7000000000e+01 0.0000000000e+00 3.1640000000e+02 1.6055900000e-02 5.1918300000e-02
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-5.6000000000e+01 0.0000000000e+00 3.1640000000e+02 1.9862200000e-02 5.2855100000e-02
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-5.5000000000e+01 0.0000000000e+00 3.1640000000e+02 2.5815700000e-02 5.3749500000e-02
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-5.4000000000e+01 0.0000000000e+00 3.1640000000e+02 3.4052800000e-02 5.4603900000e-02
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-5.3000000000e+01 0.0000000000e+00 3.1640000000e+02 4.4825800000e-02 5.5420400000e-02
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-5.2000000000e+01 0.0000000000e+00 3.1640000000e+02 5.8239200000e-02 5.6200900000e-02
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-5.1000000000e+01 0.0000000000e+00 3.1640000000e+02 7.4350600000e-02 5.6947200000e-02
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-5.0000000000e+01 0.0000000000e+00 3.1640000000e+02 9.3401700000e-02 5.7661100000e-02
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-4.9000000000e+01 0.0000000000e+00 3.1640000000e+02 1.1542300000e-01 5.8344100000e-02
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-4.8000000000e+01 0.0000000000e+00 3.1640000000e+02 1.3900500000e-01 5.8997900000e-02
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-4.7000000000e+01 0.0000000000e+00 3.1640000000e+02 1.6039800000e-01 5.9623700000e-02
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-4.6000000000e+01 0.0000000000e+00 3.1640000000e+02 1.7444000000e-01 6.0222900000e-02
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-4.5000000000e+01 0.0000000000e+00 3.1640000000e+02 1.7719200000e-01 6.0796800000e-02
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-4.4000000000e+01 0.0000000000e+00 3.1640000000e+02 1.6813000000e-01 6.1346400000e-02
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-4.3000000000e+01 0.0000000000e+00 3.1640000000e+02 1.5010300000e-01 6.1872900000e-02
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-4.2000000000e+01 0.0000000000e+00 3.1640000000e+02 1.2752500000e-01 6.2377200000e-02
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-4.1000000000e+01 0.0000000000e+00 3.1640000000e+02 1.0459900000e-01 6.2860400000e-02
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-4.0000000000e+01 0.0000000000e+00 3.1640000000e+02 8.4260300000e-02 6.3323300000e-02
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-3.9000000000e+01 0.0000000000e+00 3.1640000000e+02 6.7429000000e-02 6.3766700000e-02
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-3.8000000000e+01 0.0000000000e+00 3.1640000000e+02 5.2935600000e-02 6.4191400000e-02
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-3.7000000000e+01 0.0000000000e+00 3.1640000000e+02 3.9230600000e-02 6.4598300000e-02
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-3.6000000000e+01 0.0000000000e+00 3.1640000000e+02 2.7100800000e-02 6.4987800000e-02
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-3.5000000000e+01 0.0000000000e+00 3.1640000000e+02 2.0278100000e-02 6.5360800000e-02
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-3.4000000000e+01 0.0000000000e+00 3.1640000000e+02 2.2352600000e-02 6.5717800000e-02
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-3.3000000000e+01 0.0000000000e+00 3.1640000000e+02 3.2964100000e-02 6.6059500000e-02
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-3.2000000000e+01 0.0000000000e+00 3.1640000000e+02 4.7633000000e-02 6.6386200000e-02
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-3.1000000000e+01 0.0000000000e+00 3.1640000000e+02 6.1373400000e-02 6.6698600000e-02
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-3.0000000000e+01 0.0000000000e+00 3.1640000000e+02 7.1851500000e-02 6.6997100000e-02
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-2.9000000000e+01 0.0000000000e+00 3.1640000000e+02 7.9101800000e-02 6.7282100000e-02
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-2.8000000000e+01 0.0000000000e+00 3.1640000000e+02 8.3411500000e-02 6.7554200000e-02
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-2.7000000000e+01 0.0000000000e+00 3.1640000000e+02 8.4463400000e-02 6.7813600000e-02
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-2.6000000000e+01 0.0000000000e+00 3.1640000000e+02 8.2101700000e-02 6.8060900000e-02
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-2.5000000000e+01 0.0000000000e+00 3.1640000000e+02 7.6907700000e-02 6.8296200000e-02
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-2.4000000000e+01 0.0000000000e+00 3.1640000000e+02 6.9818600000e-02 6.8520000000e-02
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-2.3000000000e+01 0.0000000000e+00 3.1640000000e+02 6.1665900000e-02 6.8732500000e-02
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-2.2000000000e+01 0.0000000000e+00 3.1640000000e+02 5.3215100000e-02 6.8934100000e-02
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-2.1000000000e+01 0.0000000000e+00 3.1640000000e+02 4.5291200000e-02 6.9125000000e-02
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-2.0000000000e+01 0.0000000000e+00 3.1640000000e+02 3.8678100000e-02 6.9305400000e-02
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-1.9000000000e+01 0.0000000000e+00 3.1640000000e+02 3.4035500000e-02 6.9475700000e-02
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-1.8000000000e+01 0.0000000000e+00 3.1640000000e+02 3.1886500000e-02 6.9636000000e-02
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-1.7000000000e+01 0.0000000000e+00 3.1640000000e+02 3.2478600000e-02 6.9786500000e-02
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-1.6000000000e+01 0.0000000000e+00 3.1640000000e+02 3.5725600000e-02 6.9927500000e-02
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-1.5000000000e+01 0.0000000000e+00 3.1640000000e+02 4.1561700000e-02 7.0059000000e-02
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-1.4000000000e+01 0.0000000000e+00 3.1640000000e+02 5.0280800000e-02 7.0181400000e-02
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-1.3000000000e+01 0.0000000000e+00 3.1640000000e+02 6.2111400000e-02 7.0294700000e-02
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-1.2000000000e+01 0.0000000000e+00 3.1640000000e+02 7.6376600000e-02 7.0399000000e-02
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-1.1000000000e+01 0.0000000000e+00 3.1640000000e+02 9.1502100000e-02 7.0494500000e-02
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-1.0000000000e+01 0.0000000000e+00 3.1640000000e+02 1.0611500000e-01 7.0581400000e-02
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-9.0000000000e+00 0.0000000000e+00 3.1640000000e+02 1.1982900000e-01 7.0659700000e-02
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-8.0000000000e+00 0.0000000000e+00 3.1640000000e+02 1.3263000000e-01 7.0729400000e-02
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-7.0000000000e+00 0.0000000000e+00 3.1640000000e+02 1.4376100000e-01 7.0790800000e-02
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-6.0000000000e+00 0.0000000000e+00 3.1640000000e+02 1.5170200000e-01 7.0843800000e-02
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-5.0000000000e+00 0.0000000000e+00 3.1640000000e+02 1.5530500000e-01 7.0888600000e-02
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-4.0000000000e+00 0.0000000000e+00 3.1640000000e+02 1.5461700000e-01 7.0925200000e-02
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-3.0000000000e+00 0.0000000000e+00 3.1640000000e+02 1.5051100000e-01 7.0953600000e-02
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-2.0000000000e+00 0.0000000000e+00 3.1640000000e+02 1.4395000000e-01 7.0973800000e-02
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-1.0000000000e+00 0.0000000000e+00 3.1640000000e+02 1.3584600000e-01 7.0986000000e-02
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0.0000000000e+00 0.0000000000e+00 3.1640000000e+02 1.2739100000e-01 7.0990000000e-02
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1.0000000000e+00 0.0000000000e+00 3.1640000000e+02 1.2009000000e-01 7.0986000000e-02
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2.0000000000e+00 0.0000000000e+00 3.1640000000e+02 1.1532100000e-01 7.0973900000e-02
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3.0000000000e+00 0.0000000000e+00 3.1640000000e+02 1.1388700000e-01 7.0953600000e-02
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4.0000000000e+00 0.0000000000e+00 3.1640000000e+02 1.1567400000e-01 7.0925200000e-02
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5.0000000000e+00 0.0000000000e+00 3.1640000000e+02 1.1927500000e-01 7.0888600000e-02
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6.0000000000e+00 0.0000000000e+00 3.1640000000e+02 1.2193600000e-01 7.0843900000e-02
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7.0000000000e+00 0.0000000000e+00 3.1640000000e+02 1.2063000000e-01 7.0790800000e-02
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8.0000000000e+00 0.0000000000e+00 3.1640000000e+02 1.1411300000e-01 7.0729400000e-02
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9.0000000000e+00 0.0000000000e+00 3.1640000000e+02 1.0421700000e-01 7.0659700000e-02
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1.0000000000e+01 0.0000000000e+00 3.1640000000e+02 9.4735100000e-02 7.0581500000e-02
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1.1000000000e+01 0.0000000000e+00 3.1640000000e+02 8.8433900000e-02 7.0494600000e-02
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1.2000000000e+01 0.0000000000e+00 3.1640000000e+02 8.4840400000e-02 7.0399100000e-02
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1.3000000000e+01 0.0000000000e+00 3.1640000000e+02 8.0863800000e-02 7.0294800000e-02
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1.4000000000e+01 0.0000000000e+00 3.1640000000e+02 7.3613000000e-02 7.0181500000e-02
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1.5000000000e+01 0.0000000000e+00 3.1640000000e+02 6.2809600000e-02 7.0059100000e-02
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1.6000000000e+01 0.0000000000e+00 3.1640000000e+02 5.0911600000e-02 6.9927600000e-02
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1.7000000000e+01 0.0000000000e+00 3.1640000000e+02 4.1320400000e-02 6.9786600000e-02
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1.8000000000e+01 0.0000000000e+00 3.1640000000e+02 3.6455600000e-02 6.9636100000e-02
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1.9000000000e+01 0.0000000000e+00 3.1640000000e+02 3.7033700000e-02 6.9475800000e-02
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2.0000000000e+01 0.0000000000e+00 3.1640000000e+02 4.2492800000e-02 6.9305500000e-02
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2.1000000000e+01 0.0000000000e+00 3.1640000000e+02 5.1647100000e-02 6.9125100000e-02
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2.2000000000e+01 0.0000000000e+00 3.1640000000e+02 6.2886800000e-02 6.8934200000e-02
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2.3000000000e+01 0.0000000000e+00 3.1640000000e+02 7.4073200000e-02 6.8732600000e-02
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2.4000000000e+01 0.0000000000e+00 3.1640000000e+02 8.2704900000e-02 6.8520100000e-02
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2.5000000000e+01 0.0000000000e+00 3.1640000000e+02 8.6561800000e-02 6.8296300000e-02
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2.6000000000e+01 0.0000000000e+00 3.1640000000e+02 8.4438500000e-02 6.8061000000e-02
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2.7000000000e+01 0.0000000000e+00 3.1640000000e+02 7.6565400000e-02 6.7813800000e-02
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2.8000000000e+01 0.0000000000e+00 3.1640000000e+02 6.4661600000e-02 6.7554300000e-02
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2.9000000000e+01 0.0000000000e+00 3.1640000000e+02 5.1546500000e-02 6.7282300000e-02
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3.0000000000e+01 0.0000000000e+00 3.1640000000e+02 4.0068000000e-02 6.6997200000e-02
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3.1000000000e+01 0.0000000000e+00 3.1640000000e+02 3.1739900000e-02 6.6698700000e-02
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3.2000000000e+01 0.0000000000e+00 3.1640000000e+02 2.6399800000e-02 6.6386300000e-02
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3.3000000000e+01 0.0000000000e+00 3.1640000000e+02 2.3543900000e-02 6.6059600000e-02
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3.4000000000e+01 0.0000000000e+00 3.1640000000e+02 2.3840800000e-02 6.5718000000e-02
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3.5000000000e+01 0.0000000000e+00 3.1640000000e+02 2.8693300000e-02 6.5361000000e-02
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3.6000000000e+01 0.0000000000e+00 3.1640000000e+02 3.8208100000e-02 6.4988000000e-02
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3.7000000000e+01 0.0000000000e+00 3.1640000000e+02 5.0387600000e-02 6.4598400000e-02
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3.8000000000e+01 0.0000000000e+00 3.1640000000e+02 6.2968200000e-02 6.4191600000e-02
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3.9000000000e+01 0.0000000000e+00 3.1640000000e+02 7.5722400000e-02 6.3766800000e-02
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4.0000000000e+01 0.0000000000e+00 3.1640000000e+02 9.0316100000e-02 6.3323400000e-02
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4.1000000000e+01 0.0000000000e+00 3.1640000000e+02 1.0803200000e-01 6.2860500000e-02
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4.2000000000e+01 0.0000000000e+00 3.1640000000e+02 1.2809400000e-01 6.2377400000e-02
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4.3000000000e+01 0.0000000000e+00 3.1640000000e+02 1.4786700000e-01 6.1873000000e-02
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4.4000000000e+01 0.0000000000e+00 3.1640000000e+02 1.6367300000e-01 6.1346500000e-02
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4.5000000000e+01 0.0000000000e+00 3.1640000000e+02 1.7133700000e-01 6.0796900000e-02
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4.6000000000e+01 0.0000000000e+00 3.1640000000e+02 1.6731300000e-01 6.0223000000e-02
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4.7000000000e+01 0.0000000000e+00 3.1640000000e+02 1.5088100000e-01 5.9623800000e-02
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4.8000000000e+01 0.0000000000e+00 3.1640000000e+02 1.2555800000e-01 5.8998000000e-02
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4.9000000000e+01 0.0000000000e+00 3.1640000000e+02 9.7682100000e-02 5.8344200000e-02
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5.0000000000e+01 0.0000000000e+00 3.1640000000e+02 7.2951800000e-02 5.7661100000e-02
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5.1000000000e+01 0.0000000000e+00 3.1640000000e+02 5.4007700000e-02 5.6947300000e-02
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5.2000000000e+01 0.0000000000e+00 3.1640000000e+02 4.0739100000e-02 5.6200900000e-02
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5.3000000000e+01 0.0000000000e+00 3.1640000000e+02 3.2023500000e-02 5.5420500000e-02
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5.4000000000e+01 0.0000000000e+00 3.1640000000e+02 2.6810600000e-02 5.4604000000e-02
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5.5000000000e+01 0.0000000000e+00 3.1640000000e+02 2.4164800000e-02 5.3749600000e-02
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5.6000000000e+01 0.0000000000e+00 3.1640000000e+02 2.3246600000e-02 5.2855300000e-02
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5.7000000000e+01 0.0000000000e+00 3.1640000000e+02 2.3675500000e-02 5.1918400000e-02
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5.8000000000e+01 0.0000000000e+00 3.1640000000e+02 2.5681900000e-02 5.0936900000e-02
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5.9000000000e+01 0.0000000000e+00 3.1640000000e+02 2.9598300000e-02 4.9908100000e-02
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6.0000000000e+01 0.0000000000e+00 3.1640000000e+02 3.5130400000e-02 4.8829400000e-02
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6.1000000000e+01 0.0000000000e+00 3.1640000000e+02 4.1130700000e-02 4.7697700000e-02
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6.2000000000e+01 0.0000000000e+00 3.1640000000e+02 4.6016100000e-02 4.6510000000e-02
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6.3000000000e+01 0.0000000000e+00 3.1640000000e+02 4.8428800000e-02 4.5262800000e-02
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6.4000000000e+01 0.0000000000e+00 3.1640000000e+02 4.7725800000e-02 4.3952900000e-02
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6.5000000000e+01 0.0000000000e+00 3.1640000000e+02 4.4133700000e-02 4.2576400000e-02
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6.6000000000e+01 0.0000000000e+00 3.1640000000e+02 3.8549700000e-02 4.1129600000e-02
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6.7000000000e+01 0.0000000000e+00 3.1640000000e+02 3.2114400000e-02 3.9608500000e-02
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6.8000000000e+01 0.0000000000e+00 3.1640000000e+02 2.5826800000e-02 3.8008900000e-02
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6.9000000000e+01 0.0000000000e+00 3.1640000000e+02 2.0409500000e-02 3.6326900000e-02
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7.0000000000e+01 0.0000000000e+00 3.1640000000e+02 1.6335600000e-02 3.4558400000e-02
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