mirror of
https://github.com/triqs/dft_tools
synced 2024-11-09 07:33:47 +01:00
61cb087561
Added a test comparing two-site density and overlap matrices.
508 lines
18 KiB
Plaintext
508 lines
18 KiB
Plaintext
1 1 0 1
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0.1333597E+02 0.2587511E-09 0.2587511E-09 0.2587511E-09 0.4000000E-15
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1.000000000000000E-004
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CAR
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unknown system
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13.00000000 -2.00000000 501 7.60877984 1.00000000
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-2.000 0.0000E+00 0.6000E+01
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-1.970 0.0000E+00 0.6000E+01
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-1.940 0.0000E+00 0.6000E+01
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-1.910 0.0000E+00 0.6000E+01
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-1.880 0.0000E+00 0.6000E+01
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-1.850 0.0000E+00 0.6000E+01
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-1.820 0.0000E+00 0.6000E+01
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-1.790 0.0000E+00 0.6000E+01
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-1.760 0.0000E+00 0.6000E+01
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-1.730 0.0000E+00 0.6000E+01
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-1.700 0.0000E+00 0.6000E+01
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-1.670 0.0000E+00 0.6000E+01
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-1.640 0.0000E+00 0.6000E+01
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-1.610 0.0000E+00 0.6000E+01
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-1.580 0.0000E+00 0.6000E+01
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-1.550 0.0000E+00 0.6000E+01
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-1.520 0.0000E+00 0.6000E+01
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-1.490 0.0000E+00 0.6000E+01
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-1.460 0.0000E+00 0.6000E+01
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-1.430 0.0000E+00 0.6000E+01
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-1.400 0.0000E+00 0.6000E+01
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-1.370 0.0000E+00 0.6000E+01
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-1.340 0.0000E+00 0.6000E+01
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-1.310 0.0000E+00 0.6000E+01
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-1.280 0.0000E+00 0.6000E+01
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-1.250 0.0000E+00 0.6000E+01
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-1.220 0.0000E+00 0.6000E+01
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-1.190 0.0000E+00 0.6000E+01
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-1.160 0.0000E+00 0.6000E+01
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-1.130 0.0000E+00 0.6000E+01
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-1.100 0.0000E+00 0.6000E+01
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-1.070 0.0000E+00 0.6000E+01
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-1.040 0.0000E+00 0.6000E+01
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-1.010 0.0000E+00 0.6000E+01
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-0.980 0.0000E+00 0.6000E+01
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-0.950 0.0000E+00 0.6000E+01
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-0.920 0.0000E+00 0.6000E+01
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-0.890 0.0000E+00 0.6000E+01
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-0.860 0.0000E+00 0.6000E+01
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-0.830 0.0000E+00 0.6000E+01
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-0.800 0.0000E+00 0.6000E+01
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-0.770 0.0000E+00 0.6000E+01
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-0.740 0.0000E+00 0.6000E+01
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-0.710 0.0000E+00 0.6000E+01
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-0.680 0.0000E+00 0.6000E+01
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-0.650 0.6243E-04 0.6000E+01
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-0.620 0.2551E-03 0.6000E+01
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-0.590 0.5779E-03 0.6000E+01
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-0.560 0.1031E-02 0.6000E+01
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-0.530 0.1614E-02 0.6000E+01
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-0.500 0.2328E-02 0.6000E+01
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-0.470 0.3172E-02 0.6000E+01
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-0.440 0.4146E-02 0.6000E+01
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-0.410 0.5250E-02 0.6000E+01
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-0.380 0.6484E-02 0.6001E+01
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-0.350 0.7849E-02 0.6001E+01
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-0.320 0.9344E-02 0.6001E+01
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-0.290 0.1097E-01 0.6001E+01
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-0.260 0.1272E-01 0.6002E+01
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-0.230 0.1461E-01 0.6002E+01
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-0.200 0.1663E-01 0.6003E+01
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-0.170 0.1877E-01 0.6003E+01
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-0.140 0.2105E-01 0.6004E+01
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-0.110 0.2346E-01 0.6004E+01
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-0.080 0.2599E-01 0.6005E+01
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-0.050 0.2866E-01 0.6006E+01
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-0.020 0.3146E-01 0.6007E+01
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0.010 0.3438E-01 0.6008E+01
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0.040 0.3744E-01 0.6009E+01
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0.070 0.4063E-01 0.6010E+01
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0.100 0.4395E-01 0.6011E+01
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0.130 0.4740E-01 0.6013E+01
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0.160 0.5097E-01 0.6014E+01
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0.190 0.5468E-01 0.6016E+01
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0.220 0.5852E-01 0.6018E+01
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0.250 0.6249E-01 0.6019E+01
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0.280 0.6659E-01 0.6021E+01
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0.310 0.7082E-01 0.6023E+01
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0.340 0.7518E-01 0.6026E+01
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0.370 0.7967E-01 0.6028E+01
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0.400 0.8429E-01 0.6030E+01
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0.430 0.8904E-01 0.6033E+01
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0.460 0.9392E-01 0.6036E+01
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0.490 0.9894E-01 0.6039E+01
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0.520 0.1041E+00 0.6042E+01
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0.550 0.1093E+00 0.6045E+01
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0.580 0.1147E+00 0.6048E+01
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0.610 0.1203E+00 0.6052E+01
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0.640 0.1259E+00 0.6055E+01
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0.670 0.1317E+00 0.6059E+01
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0.700 0.1377E+00 0.6063E+01
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0.730 0.1437E+00 0.6068E+01
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0.760 0.1499E+00 0.6072E+01
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0.790 0.1562E+00 0.6077E+01
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0.820 0.1627E+00 0.6081E+01
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0.850 0.1692E+00 0.6086E+01
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0.880 0.1759E+00 0.6091E+01
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0.910 0.1828E+00 0.6097E+01
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0.940 0.1897E+00 0.6102E+01
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0.970 0.1968E+00 0.6108E+01
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1.000 0.2041E+00 0.6114E+01
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1.030 0.2114E+00 0.6120E+01
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1.060 0.2189E+00 0.6127E+01
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1.090 0.2265E+00 0.6134E+01
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1.120 0.2343E+00 0.6141E+01
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1.150 0.2421E+00 0.6148E+01
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1.180 0.2501E+00 0.6155E+01
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1.210 0.2583E+00 0.6163E+01
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1.240 0.2665E+00 0.6171E+01
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1.270 0.2749E+00 0.6179E+01
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1.300 0.2835E+00 0.6187E+01
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1.330 0.2921E+00 0.6196E+01
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1.360 0.3009E+00 0.6205E+01
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1.390 0.3098E+00 0.6214E+01
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1.420 0.3189E+00 0.6223E+01
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1.450 0.3281E+00 0.6233E+01
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1.480 0.3374E+00 0.6243E+01
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1.510 0.3468E+00 0.6253E+01
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1.540 0.3564E+00 0.6264E+01
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1.570 0.3661E+00 0.6274E+01
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1.600 0.3759E+00 0.6286E+01
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1.630 0.3859E+00 0.6297E+01
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1.660 0.3960E+00 0.6309E+01
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1.690 0.4062E+00 0.6321E+01
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1.720 0.4165E+00 0.6333E+01
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1.750 0.4270E+00 0.6346E+01
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1.780 0.4376E+00 0.6359E+01
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1.810 0.4484E+00 0.6372E+01
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1.840 0.4592E+00 0.6386E+01
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1.870 0.4702E+00 0.6400E+01
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1.900 0.4814E+00 0.6414E+01
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1.930 0.4926E+00 0.6428E+01
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1.960 0.5040E+00 0.6443E+01
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1.990 0.5155E+00 0.6459E+01
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2.020 0.5272E+00 0.6474E+01
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2.050 0.5390E+00 0.6490E+01
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2.080 0.5509E+00 0.6507E+01
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2.110 0.5629E+00 0.6523E+01
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2.140 0.5751E+00 0.6540E+01
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2.170 0.5874E+00 0.6558E+01
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2.200 0.5998E+00 0.6576E+01
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2.230 0.6124E+00 0.6594E+01
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2.260 0.6251E+00 0.6612E+01
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2.290 0.6379E+00 0.6631E+01
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2.320 0.6509E+00 0.6651E+01
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2.350 0.6640E+00 0.6670E+01
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2.380 0.6772E+00 0.6691E+01
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2.410 0.6905E+00 0.6711E+01
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2.440 0.7040E+00 0.6732E+01
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2.470 0.7176E+00 0.6753E+01
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2.500 0.7314E+00 0.6775E+01
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2.530 0.7452E+00 0.6797E+01
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2.560 0.7592E+00 0.6820E+01
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2.590 0.7733E+00 0.6843E+01
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2.620 0.7876E+00 0.6866E+01
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2.650 0.8020E+00 0.6890E+01
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2.680 0.8165E+00 0.6914E+01
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2.710 0.8312E+00 0.6939E+01
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2.740 0.8459E+00 0.6964E+01
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2.770 0.7422E+01 0.7617E+01
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2.800 0.4822E+01 0.7800E+01
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2.830 0.2781E+01 0.7912E+01
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2.860 0.1298E+01 0.7972E+01
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2.890 0.3730E+00 0.7996E+01
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2.920 0.6775E-02 0.8000E+01
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2.950 0.4296E-06 0.8000E+01
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2.980 0.3400E-03 0.8000E+01
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3.010 0.1312E-02 0.8000E+01
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3.040 0.2917E-02 0.8000E+01
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3.070 0.5154E-02 0.8000E+01
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3.100 0.8023E-02 0.8000E+01
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3.130 0.1153E-01 0.8001E+01
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3.160 0.1566E-01 0.8001E+01
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3.190 0.2043E-01 0.8002E+01
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3.220 0.2583E-01 0.8002E+01
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3.250 0.3186E-01 0.8003E+01
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3.280 0.3852E-01 0.8004E+01
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3.310 0.4582E-01 0.8006E+01
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3.340 0.5375E-01 0.8007E+01
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3.370 0.6231E-01 0.8009E+01
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3.400 0.7151E-01 0.8011E+01
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3.430 0.8133E-01 0.8013E+01
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3.460 0.9179E-01 0.8016E+01
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3.490 0.1029E+00 0.8019E+01
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3.520 0.1146E+00 0.8022E+01
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3.550 0.1270E+00 0.8025E+01
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3.580 0.1400E+00 0.8029E+01
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3.610 0.1536E+00 0.8034E+01
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3.640 0.1678E+00 0.8039E+01
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3.670 0.1827E+00 0.8044E+01
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3.700 0.1982E+00 0.8050E+01
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3.730 0.2144E+00 0.8056E+01
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3.760 0.2312E+00 0.8063E+01
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3.790 0.2486E+00 0.8070E+01
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3.820 0.2666E+00 0.8077E+01
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3.850 0.2853E+00 0.8086E+01
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3.880 0.3046E+00 0.8095E+01
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3.910 0.3246E+00 0.8104E+01
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3.940 0.3452E+00 0.8114E+01
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3.970 0.3664E+00 0.8125E+01
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4.000 0.3882E+00 0.8136E+01
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4.030 0.4107E+00 0.8148E+01
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4.060 0.4338E+00 0.8161E+01
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4.090 0.4576E+00 0.8174E+01
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4.120 0.4819E+00 0.8188E+01
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4.150 0.5069E+00 0.8203E+01
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4.180 0.5326E+00 0.8219E+01
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4.210 0.5588E+00 0.8235E+01
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4.240 0.5858E+00 0.8252E+01
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4.270 0.6133E+00 0.8270E+01
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4.300 0.6415E+00 0.8289E+01
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4.330 0.6703E+00 0.8309E+01
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4.360 0.6997E+00 0.8329E+01
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4.390 0.7298E+00 0.8351E+01
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4.420 0.7605E+00 0.8373E+01
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4.450 0.7918E+00 0.8396E+01
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4.480 0.8238E+00 0.8420E+01
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4.510 0.8564E+00 0.8446E+01
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4.540 0.8896E+00 0.8472E+01
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4.570 0.9234E+00 0.8499E+01
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4.600 0.9579E+00 0.8527E+01
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4.630 0.9931E+00 0.8556E+01
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4.660 0.1029E+01 0.8587E+01
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4.690 0.1065E+01 0.8618E+01
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4.720 0.1102E+01 0.8651E+01
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4.750 0.1140E+01 0.8684E+01
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4.780 0.1178E+01 0.8719E+01
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4.810 0.4738E+01 0.8765E+01
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4.840 0.1381E+01 0.9298E+01
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4.870 0.1327E+01 0.9339E+01
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4.900 0.1275E+01 0.9378E+01
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4.930 0.1223E+01 0.9415E+01
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4.960 0.1172E+01 0.9451E+01
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4.990 0.1123E+01 0.9485E+01
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5.020 0.1074E+01 0.9518E+01
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5.050 0.1027E+01 0.9550E+01
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5.080 0.9806E+00 0.9580E+01
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5.110 0.9354E+00 0.9609E+01
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5.140 0.8912E+00 0.9636E+01
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5.170 0.8481E+00 0.9662E+01
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5.200 0.8060E+00 0.9687E+01
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5.230 0.7650E+00 0.9711E+01
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5.260 0.7251E+00 0.9733E+01
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5.290 0.6863E+00 0.9754E+01
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5.320 0.6485E+00 0.9774E+01
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5.350 0.6118E+00 0.9793E+01
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5.380 0.5761E+00 0.9811E+01
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5.410 0.5416E+00 0.9828E+01
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5.440 0.5081E+00 0.9843E+01
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5.470 0.4757E+00 0.9858E+01
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5.500 0.4443E+00 0.9872E+01
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5.530 0.4140E+00 0.9885E+01
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5.560 0.3848E+00 0.9897E+01
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5.590 0.3566E+00 0.9908E+01
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5.620 0.3295E+00 0.9918E+01
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5.650 0.3035E+00 0.9928E+01
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5.680 0.2786E+00 0.9936E+01
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5.710 0.2547E+00 0.9944E+01
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5.740 0.2319E+00 0.9952E+01
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5.770 0.2102E+00 0.9958E+01
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5.800 0.1895E+00 0.9964E+01
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5.830 0.1699E+00 0.9970E+01
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5.860 0.1514E+00 0.9975E+01
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5.890 0.1339E+00 0.9979E+01
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5.920 0.1175E+00 0.9983E+01
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5.950 0.1022E+00 0.9986E+01
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5.980 0.8797E-01 0.9989E+01
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6.010 0.7479E-01 0.9991E+01
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6.040 0.6267E-01 0.9993E+01
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6.070 0.5163E-01 0.9995E+01
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6.100 0.4166E-01 0.9996E+01
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6.130 0.3275E-01 0.9997E+01
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6.160 0.2492E-01 0.9998E+01
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6.190 0.1815E-01 0.9999E+01
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6.220 0.1246E-01 0.9999E+01
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6.250 0.7831E-02 0.1000E+02
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6.280 0.4273E-02 0.1000E+02
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6.310 0.1785E-02 0.1000E+02
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6.340 0.3658E-03 0.1000E+02
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6.370 0.0000E+00 0.1000E+02
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6.400 0.0000E+00 0.1000E+02
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6.430 0.9399E-03 0.1000E+02
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6.460 0.4450E-02 0.1000E+02
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6.490 0.1056E-01 0.1000E+02
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6.520 0.1927E-01 0.1000E+02
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6.550 0.3058E-01 0.1000E+02
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6.580 0.4449E-01 0.1000E+02
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6.610 0.6100E-01 0.1000E+02
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6.640 0.8010E-01 0.1001E+02
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6.670 0.1018E+00 0.1001E+02
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6.700 0.1261E+00 0.1001E+02
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6.730 0.1530E+00 0.1002E+02
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6.760 0.1825E+00 0.1002E+02
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6.790 0.2146E+00 0.1003E+02
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6.820 0.2493E+00 0.1003E+02
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6.850 0.2867E+00 0.1004E+02
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6.880 0.3266E+00 0.1005E+02
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6.910 0.3691E+00 0.1006E+02
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6.940 0.4142E+00 0.1007E+02
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6.970 0.4619E+00 0.1009E+02
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7.000 0.5122E+00 0.1010E+02
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7.030 0.5651E+00 0.1012E+02
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7.060 0.6206E+00 0.1014E+02
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7.090 0.6787E+00 0.1016E+02
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7.120 0.7394E+00 0.1018E+02
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7.150 0.8027E+00 0.1020E+02
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7.180 0.8686E+00 0.1022E+02
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7.210 0.9371E+00 0.1025E+02
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7.240 0.1008E+01 0.1028E+02
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7.270 0.1082E+01 0.1031E+02
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7.300 0.1158E+01 0.1035E+02
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7.330 0.1237E+01 0.1038E+02
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7.360 0.1319E+01 0.1042E+02
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7.390 0.1403E+01 0.1046E+02
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7.420 0.1489E+01 0.1050E+02
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7.450 0.1579E+01 0.1055E+02
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7.480 0.1671E+01 0.1060E+02
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7.510 0.1765E+01 0.1065E+02
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7.540 0.1862E+01 0.1070E+02
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7.570 0.1962E+01 0.1076E+02
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7.600 0.2064E+01 0.1082E+02
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7.630 0.1566E+01 0.1138E+02
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