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param_ipea-xtb.txt
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param_ipea-xtb.txt
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$info
level 1
name IPEA-xTB
doi 10.1039/c7sc00601b
$globpar
ks 2.15000
kp 2.30000
kd 2.00000
ksp 2.25000
kdiff 2.25000
enscale -0.70000
ipeashift 1.78069
cns 1.00000
cnp -0.30000
cnd1 -0.50000
cnd2 0.50000
alphaj 1.00000
a1 0.63000
a2 5.00000
s8 2.40000
s9 0.00000
kexp 1.50000
kexplight 1.50000
xbdamp 0.44000
xbrad 1.30000
$end
$pairpar
$end
$Z= 1 Thu Sep 22 23:34:11 CEST 2016
ao=1s2s
lev= -10.521941 -3.560151
exp= 1.306199 0.398421
GAM= 0.404839
GAM3= 1.500000
REPA= 2.133166
REPB= 1.292559
$end
$Z= 2 Mon Aug 22 21:05:21 CEST 2016
ao=1s
lev= -22.121015
exp= 2.133698
GAM= 1.441379
GAM3= 1.500000
REPA= 1.382907
REPB= 0.440231
POLYS= 8.084149
$end
$Z= 3 Tue Apr 4 11:10:31 CEST 2017
ao=2s2p
lev= -6.778577 -3.316533
exp= 0.675700 0.643466
GAM= 0.196176
GAM3= 1.846487
REPA= 0.630666
REPB= 2.747587
POLYS= -13.007335
POLYP= 6.802043
LPARP= -2.241991
$end
$Z= 4 Fri Sep 23 11:17:08 CEST 2016
ao=2s2p
lev= -9.155548 -6.934385
exp= 0.976724 1.325974
GAM= 0.315230
GAM3= 1.500000
REPA= 0.830517
REPB= 4.557601
POLYS= -22.404993
POLYP= -6.611030
LPARP= -0.053663
$end
$Z= 5 Fri Sep 23 10:45:35 CEST 2016
ao=2s2p3S
lev= -12.479504 -7.044782 -4.032136
exp= 1.426737 1.472693 1.157688
GAM= 0.608113
GAM3= 0.500000
REPA= 1.066430
REPB= 5.255954
POLYS= -5.397599
POLYP= 14.708712
LPARP= -2.662342
$end
$Z= 6 Thu Sep 22 23:34:11 CEST 2016
ao=2s2p3S
lev= -15.968100 -9.777107 -3.366990
exp= 1.979793 1.850537 0.633095
GAM= 0.639692
GAM3= 1.500000
REPA= 1.206815
REPB= 4.427268
POLYS= -2.692247
POLYP= 8.177943
LPARP= -0.273283
$end
$Z= 7 Thu Sep 22 23:34:11 CEST 2016
ao=2s2p3S
lev= -24.040776 -14.426520 -5.882278
exp= 2.126160 2.068425 0.671040
GAM= 0.492599
GAM3= -1.000000
REPA= 1.622255
REPB= 5.500005
POLYS= -10.560649
POLYP= 0.940101
LPARP= 0.701245
$end
$Z= 8 Thu Sep 22 23:34:11 CEST 2016
ao=2s2p3S
lev= -26.695120 -16.014457 -6.622058
exp= 2.575264 2.159448 0.958679
GAM= 0.717333
GAM3= -2.000000
REPA= 2.002624
REPB= 5.178714
POLYS= -9.907396
POLYP= 3.920125
LPARP= -2.619316
$end
$Z= 9 Tue Jan 17 20:22:52 CET 2017
ao=2s2p3S
lev= -27.565998 -17.439238 -6.120500
exp= 2.304073 2.314354 0.570243
GAM= 0.574104
GAM3= 2.000000
REPA= 2.538852
REPB= 7.370899
POLYS= -11.637428
POLYP= -9.003663
LPARP= 0.808738
$end
$Z=10 Wed Aug 31 17:29:03 CEST 2016
ao=2s2p3d
lev= -31.167487 -18.268975 1.487984
exp= 3.200000 2.294365 2.684436
GAM= 0.612878
GAM3= 1.600000
REPA= 3.038727
REPB= 9.102523
POLYS= -2.115896
POLYP= -15.124326
LPARP= -3.892542
$end
$Z=11 Mon Aug 22 16:58:35 CEST 2016
ao=2s2p
lev= -5.425941 -2.970587
exp= 0.566702 0.391147
GAM= 0.146475
GAM3= 1.200000
REPA= 0.678744
REPB= 9.192606
POLYS= 7.549004
POLYP= 13.576090
LPARP= -4.545627
$end
$Z=12 Wed Aug 31 17:56:48 CEST 2016
ao=2s2p
lev= -10.585393 -2.983087
exp= 0.947394 0.538324
GAM= 0.332890
GAM3= 1.100000
REPA= 0.796201
REPB= 12.176772
POLYS= -18.095421
POLYP= 21.451533
LPARP= 1.823758
$end
$Z=13 Mon Aug 22 15:20:00 CEST 2016
ao=3s3p3d
lev= -12.916245 -3.441043 -1.751415
exp= 1.497753 1.232966 0.606937
GAM= 0.221658
GAM3= 1.200000
REPA= 0.929219
REPB= 16.283595
POLYS= -21.085827
POLYP= 24.805127
POLYD= 26.405814
LPARP= 0.503564
$end
$Z=14 Thu Aug 25 05:54:29 CEST 2016
ao=3s3p3d
lev= -14.506128 -7.557337 -2.508113
exp= 1.521960 1.609138 1.168971
GAM= 0.438331
GAM3= 1.500000
REPA= 0.948165
REPB= 16.898359
POLYS= -14.201582
POLYP= -3.893343
POLYD= 25.499221
LPARP= -5.925834
$end
$Z=15 Thu Jan 19 19:22:57 CET 2017
ao=3s3p3d
lev= -16.954206 -9.866726 -0.997152
exp= 2.002025 1.791833 1.327886
GAM= 0.637801
GAM3= 1.616190
REPA= 1.047895
REPB= 16.296596
POLYS= -20.056162
POLYP= -7.612324
POLYD= 27.896649
LPARP= -3.150116
$end
$Z=16 Tue Jan 17 20:57:36 CET 2017
ao=3s3p3d
lev= -24.488821 -12.136640 -1.796070
exp= 2.492075 1.997904 1.747541
GAM= 0.455078
GAM3= 1.020159
REPA= 1.170894
REPB= 15.831707
POLYS= -20.287694
POLYP= -7.124132
POLYD= 17.511019
LPARP= -1.956114
$end
$Z=17 Tue Jan 17 19:45:33 CET 2017
ao=3s3p3d
lev= -24.452163 -13.465451 -1.836065
exp= 2.559226 2.054846 1.762522
GAM= 0.559471
GAM3= 2.395510
REPA= 1.404155
REPB= 17.000000
POLYS= -9.341919
POLYP= -12.605796
POLYD= 14.905217
LPARP= -3.994898
$end
$Z=18 Wed Aug 31 18:08:34 CEST 2016
ao=3s3p3d
lev= -31.395427 -17.412901 -1.119399
exp= 3.502323 2.287983 1.761181
GAM= 0.529906
GAM3= 0.829312
REPA= 1.323756
REPB= 17.153132
POLYS= -0.082808
POLYP= -9.217948
POLYD= 12.204172
LPARP= -1.450000
$end
$Z=19 Wed Aug 31 18:13:39 CEST 2016
ao=4s4p
lev= -5.815562 -3.747255
exp= 0.841791 0.771618
GAM= 0.114358
GAM3= 0.732923
REPA= 0.581529
REPB= 20.831436
POLYS= 12.482844
POLYP= 22.323655
LPARP= -5.332978
$end
$Z=20 Wed Aug 31 18:20:07 CEST 2016
ao=4s4p3d
lev= -7.979180 -2.517008 -2.752355
exp= 1.321845 0.734954 0.947032
GAM= 0.134187
GAM3= 1.116963
REPA= 0.665588
REPB= 19.840212
POLYS= -11.421376
POLYP= 14.628284
POLYD= 10.129602
LPARP= 11.522018
$end
$Z=21 Fri May 5 14:03:11 CEST 2017
ao=3d4s4p
lev= -6.601089 -3.541803 -1.687209
exp= 1.510174 1.278989 0.873934
GAM= 0.897973
GAM3= -1.784792
REPA= 0.760117
REPB= 23.231297
POLYS= 12.477046
POLYP= 46.956747
POLYD= -10.433716
LPARP= -2.000000
LPARD= -6.976887
$end
$Z=22 Mon Apr 24 11:25:44 CEST 2017
ao=3d4s4p
lev= -6.171156 -4.647280 -0.606001
exp= 1.526221 1.746162 0.810143
GAM= 1.678103
GAM3= -0.000358
REPA= 0.817434
REPB= 15.054336
POLYS= 8.253155
POLYP= 30.482831
POLYD= -18.082141
LPARP= -1.500000
LPARD= -7.677638
$end
$Z=23 Tue May 30 10:28:26 CEST 2017
ao=3d4s4p
lev= -6.314200 -12.834159 0.035792
exp= 1.706872 1.520194 1.100000
GAM= 1.094925
GAM3= 0.800000
REPA= 1.067056
REPB= 21.158314
POLYS= -15.627155
POLYP= 21.787754
POLYD= -23.674752
LPARP= -2.000000
LPARD= -5.176731
$end
$Z=24 Fri May 26 13:13:00 CEST 2017
ao=3d4s4p
lev= -8.095169 -6.662737 -2.647661
exp= 1.860646 1.214281 1.130000
GAM= 0.317872
GAM3= 0.800000
REPA= 0.984779
REPB= 22.335723
POLYS= 7.351214
POLYP= 18.517229
POLYD= -16.744068
LPARP= -2.500000
LPARD= 6.084446
$end
$Z=25 Fri May 26 15:40:37 CEST 2017
ao=3d4s4p
lev= -6.756964 -6.497660 -4.391631
exp= 1.735856 1.025035 1.270000
GAM= 0.231875
GAM3= 0.300000
REPA= 1.034098
REPB= 21.161245
POLYS= 4.364955
POLYP= 9.242032
POLYD= -16.231235
LPARP= -2.500000
LPARD= 12.062125
$end
$Z=26 Thu Jun 1 14:23:29 CEST 2017
ao=3d4s4p
lev= -8.609628 -6.896217 -6.443170
exp= 2.164423 1.738248 1.300000
GAM= 0.900000
GAM3= 0.500000
REPA= 1.136974
REPB= 24.885518
POLYS= -10.476481
POLYP= 11.176576
POLYD= -22.084984
LPARP= -2.000000
LPARD= -3.348701
$end
$Z=27 Tue Jun 6 13:36:36 CEST 2017
ao=3d4s4p
lev= -8.957293 -5.330498 -3.914720
exp= 2.205668 1.091436 1.350000
GAM= 0.213854
GAM3= 0.300000
REPA= 1.202626
REPB= 25.477503
POLYS= 4.121503
POLYP= 14.917653
POLYD= -20.140234
LPARP= -2.000000
LPARD= 3.750103
$end
$Z=28 Fri Jun 9 14:12:38 CEST 2017
ao=3d4s4p
lev= -9.491654 -6.891146 -3.002778
exp= 2.226169 1.315045 1.350000
GAM= 0.257961
GAM3= 1.000000
REPA= 1.405045
REPB= 17.151988
POLYS= 10.160508
POLYP= 12.528539
POLYD= -20.892120
LPARP= -2.000000
LPARD= 2.009132
$end
$Z=29 Tue Jun 13 13:43:59 CEST 2017
ao=3d4s4p
lev= -11.157415 -8.659820 -4.486136
exp= 2.386767 1.388075 1.350000
GAM= 0.232867
GAM3= 0.920598
REPA= 1.224139
REPB= 24.562118
POLYS= -8.590501
POLYP= 7.141500
POLYD= -15.142399
LPARD= -1.582039
$end
$Z=30 Fri Jun 16 16:16:25 CEST 2017
ao=4s4p
lev= -9.538781 -4.393779
exp= 1.739691 1.291181
GAM= 0.384579
GAM3= 1.400000
REPA= 1.093312
REPB= 35.552646
POLYS= -20.097296
POLYP= -0.515231
LPARP= -1.515628
$end
$Z=31 Fri Feb 3 16:19:29 CET 2017
ao=4s4p4d
lev= -14.013394 -5.616872 -2.437453
exp= 2.025803 1.524895 0.524764
GAM= 0.351929
GAM3= 1.400000
REPA= 0.982124
REPB= 36.575935
POLYS= -9.919005
POLYP= 10.598388
POLYD= 19.671655
LPARP= -3.894500
LPARD= 1.000000
$end
$Z=32 Thu Apr 13 13:11:55 CEST 2017
ao=4s4p4d
lev= -15.795287 -10.050005 -4.221097
exp= 2.516954 1.671762 0.799301
GAM= 0.878878
GAM3= 1.400000
REPA= 1.076416
REPB= 39.096346
POLYS= -18.139462
POLYP= -6.247789
POLYD= 19.611782
LPARP= -6.463392
LPARD= -1.300000
$end
$Z=33 Tue Jan 24 20:58:40 CET 2017
ao=4s4p4d
lev= -21.397516 -9.716689 -2.252045
exp= 2.478788 1.905779 1.176250
GAM= 0.417457
GAM3= 1.300000
REPA= 1.227794
REPB= 38.315669
POLYS= -17.489686
POLYP= -10.836128
POLYD= 17.626604
LPARP= -0.758566
LPARD= -1.000000
$end
$Z=34 Mon Jan 23 10:29:23 CET 2017
ao=4s4p4d
lev= -23.000000 -11.353754 -0.978922
exp= 2.998140 2.073392 1.745074
GAM= 0.546433
GAM3= 1.799283
REPA= 1.229699
REPB= 34.959310
POLYS= -17.147845
POLYP= -11.828189
POLYD= 15.353343
LPARP= -4.319966
LPARD= -2.500000
$end
$Z=35 Mon Aug 22 11:29:28 CEST 2016
ao=4s4p4d
lev= -19.875752 -12.818655 -3.348113
exp= 2.886237 2.190987 1.789395
GAM= 0.732530
GAM3= -0.500000
CXB= 0.381742
REPA= 1.153580
REPB= 35.000000
POLYS= -17.815502
POLYP= -14.058044
POLYD= 5.468245
LPARP= -1.440020
LPARD= -1.000000
$end
$Z=36 Thu Sep 1 15:19:47 CEST 2016
ao=4s4p4d
lev= -20.280017 -15.200155 -4.253986
exp= 2.828105 1.965472 1.512609
GAM= 0.820312
GAM3= 1.000000
REPA= 1.335287
REPB= 36.000000
POLYS= -25.437273
POLYP= -12.813227
POLYD= 10.440712
LPARP= -3.743296
$end
$Z=37 Sat Aug 27 04:24:34 CEST 2016
ao=5s5p
lev= -7.616948 -4.369842
exp= 0.809529 0.950253
GAM= 0.075735
GAM3= 1.500000
REPA= 0.554032
REPB= 39.653032
POLYS= -7.450752
POLYP= 16.670533
LPARP= -5.181667
$end
$Z=38 Thu Sep 1 17:15:37 CEST 2016
ao=5s5p4d
lev= -6.840171 -3.338573 -1.715680
exp= 1.458742 0.730658 1.028147
GAM= 0.122861
GAM3= 1.300000
REPA= 0.657904
REPB= 38.924904
POLYS= -6.087125
POLYP= 2.115262
POLYD= 17.076466
LPARP= -8.003590
$end
$Z=39 Thu Sep 1 17:20:03 CEST 2016
ao=4d5s5p
lev= -5.731066 -8.748292 -0.838555
exp= 2.300000 1.593058 1.170000
GAM= 0.351290
GAM3= 1.400000
REPA= 0.760144
REPB= 39.000000
POLYS= 10.950764
POLYP= 45.679760
POLYD= -28.061976
LPARP= -0.800000
LPARD= -4.159186
$end
$Z=40 Fri Jun 23 15:49:33 CEST 2017
ao=4d5s5p
lev= -5.698303 -2.340849 -5.079938
exp= 1.787871 1.411952 1.230000
GAM= 0.176042
GAM3= 0.460210
REPA= 0.709735
REPB= 37.288814
POLYS= 30.048862
POLYP= 24.685487
POLYD= -14.065000
LPARP= -2.500000
LPARD= 3.471956
$end
$Z=41 Tue Jun 27 10:40:20 CEST 2017
ao=4d5s5p
lev= -7.621949 -6.455094 -2.522398
exp= 1.552976 1.475705 1.200000
GAM= 0.180389
GAM3= 0.212639
REPA= 0.909696
REPB= 35.440124
POLYS= 15.379439
POLYP= 31.393684
POLYD= -25.998052
LPARP= -2.000000
LPARD= 9.898269
$end
$Z=42 Fri Jun 30 14:09:58 CEST 2017
ao=4d5s5p
lev= -7.338804 -7.762642 -3.971551
exp= 1.765483 1.920748 1.220000
GAM= 0.392238
GAM3= -0.335700
REPA= 0.961038
REPB= 38.163829
POLYS= 5.815301
POLYP= 20.432554
POLYD= -18.092116
LPARP= -2.500000
LPARD= -2.957569
$end
$Z=43 Sun Aug 28 04:51:04 CEST 2016
ao=4d5s5p
lev= -8.690050 -5.089073 -4.878724
exp= 2.120497 1.789115 1.250000
GAM= 0.405474
GAM3= 0.500000
REPA= 1.028240
REPB= 43.000000
POLYS= 24.977603
POLYP= 1.953838
POLYD= -23.231470
LPARP= -2.000000
LPARD= 2.642680
$end
$Z=44 Thu Sep 1 17:52:27 CEST 2016
ao=4d5s5p
lev= -10.960165 -6.304229 -5.569969
exp= 2.352683 1.883645 1.370000
GAM= 0.305394
GAM3= 0.001205
REPA= 1.066144
REPB= 44.492732
POLYS= 15.281981
POLYP= 1.340798
POLYD= -23.099524
LPARP= -1.500000
LPARD= 1.772831
$end
$Z=45 Thu Sep 1 17:58:03 CEST 2016
ao=4d5s5p
lev= -11.935915 -4.883179 -4.427854
exp= 2.436353 2.000000 1.470000
GAM= 0.293973
GAM3= 0.622690
REPA= 1.131380
REPB= 45.241537
POLYS= 10.450086
POLYP= 15.559547
POLYD= -23.540560
LPARP= -2.500000
LPARD= 3.782936
$end
$Z=46 Fri Jul 7 13:08:45 CEST 2017
ao=4d5s5p
lev= -11.057352 -5.667970 -3.149700
exp= 2.380741 1.984859 1.550000
GAM= 0.311234
GAM3= 0.500000
REPA= 1.226066
REPB= 41.939426
POLYS= 10.407257
POLYP= 16.980983
POLYD= -17.752834
LPARP= -2.500000
LPARD= 2.865563
$end
$Z=47 Tue Jul 11 09:49:53 CEST 2017
ao=4d5s5p
lev= -9.967352 -5.974518 -3.478715
exp= 2.644658 2.056123 1.620000
GAM= 0.440109
GAM3= 0.021628
REPA= 1.029976
REPB= 47.198422
POLYS= -12.856324
POLYP= -2.440401
POLYD= -1.478311
LPARP= -1.500000
LPARD= -1.981564
$end
$Z=48 Tue Aug 15 12:30:18 CEST 2017
ao=5s5p
lev= -9.271670 -3.857452
exp= 1.961223 1.409748
GAM= 0.332147
GAM3= 1.362587
REPA= 0.928849
REPB= 49.016827
POLYS= -17.616123
POLYP= 6.247124
LPARP= -3.010874
$end
$Z=49 Fri Feb 10 15:15:10 CET 2017
ao=5s5p5d
lev= -14.755266 -4.611036 -4.455688
exp= 2.217568 1.536904 0.880728
GAM= 0.285832
GAM3= 1.063557
REPA= 0.822482
REPB= 51.718417
POLYS= -10.488459
POLYP= 13.780348
POLYD= 5.584366
LPARP= -3.631014
$end
$Z=50 Fri Feb 17 19:03:59 CET 2017
ao=5s5p5d
lev= -22.241945 -7.801265 -3.306963
exp= 2.443152 1.782901 0.936038
GAM= 0.372861
GAM3= 1.746331
REPA= 0.954713
REPB= 54.503455
POLYS= -14.906472
POLYP= -2.497008
POLYD= 10.683419
LPARP= -3.294996
LPARD= -1.500000
$end
$Z=51 Thu Apr 13 13:43:55 CEST 2017
ao=5s5p5d
lev= -19.959912 -7.703762 -2.025267
exp= 2.687886 2.003834 1.078859
GAM= 0.535840
GAM3= -0.678152
REPA= 0.976956
REPB= 52.995653
POLYS= -15.500737
POLYP= -8.070432
POLYD= 5.919672
LPARP= -1.806602
LPARD= -2.000000
$end
$Z=52 Fri Feb 10 12:59:42 CET 2017
ao=5s5p5d
lev= -27.798530 -10.496142 -1.080464
exp= 2.873897 2.169037 1.511922
GAM= 0.283009
GAM3= 1.387384
REPA= 0.954405
REPB= 50.537298
POLYS= -17.920966
POLYP= -11.924030
POLYD= 25.088164
LPARP= -1.102393
LPARD= -2.000000
$end
$Z=53 Mon Aug 22 12:51:49 CEST 2016
ao=5s5p5d
lev= -23.832631 -11.604442 -2.025327
exp= 3.117622 2.248195 1.831809
GAM= 0.520472
GAM3= -0.500000
CXB= 0.321944
REPA= 0.949181
REPB= 53.000000
POLYS= -21.954071
POLYP= -10.823970
POLYD= 12.522287
LPARP= -0.387987
LPARD= -1.500000
$end
$Z=54 Mon Aug 29 22:22:12 CEST 2016
ao=5s5p5d
lev= -21.969064 -11.870978 -2.697796
exp= 3.128524 2.316580 1.888452
GAM= 0.935394
GAM3= -0.800000
REPA= 1.074785
REPB= 52.500985
POLYS= -22.530281
POLYP= -16.667114
POLYD= 8.021956
LPARP= -3.435282
LPARD= -1.500000
$end
$Z=55 Thu Sep 1 23:00:45 CEST 2016
ao=5s5p
lev= -6.341379 -3.944275
exp= 0.779877 0.810404
GAM= 0.085110
GAM3= 1.500000
REPA= 0.579919
REPB= 65.029838
POLYS= -1.460631
POLYP= 15.879494
LPARP= -7.035550
$end
$Z=56 Thu Sep 1 23:06:30 CEST 2016
ao=5s5p4d
lev= -6.452630 -3.975353 -2.305768
exp= 1.387083 0.532658 0.853415
GAM= 0.137819
GAM3= 1.500000
REPA= 0.606485
REPB= 46.532974
POLYS= -5.468018
POLYP= 4.368854
POLYD= 14.328052
LPARP= -8.801363
$end
$Z=57 Tue Aug 30 00:04:23 CEST 2016
ao=5d6s6p
lev= -5.872226 -6.500000 -0.727921
exp= 3.000000 1.492677 1.350000
GAM= 0.495969
GAM3= 1.500000
REPA= 1.311200
REPB= 48.337542
POLYS= -3.988102
POLYP= 40.847293
POLYD= -44.208463
LPARP= -1.500000
LPARD= -6.396752
$end
$Z=58 Tue Aug 30 10:12:13 CEST 2016
ao=5d6s6p
lev= -5.032003 -6.275363 0.291196
exp= 3.000000 1.553483 1.380859
GAM= 0.350000
GAM3= 1.200000
REPA= 0.839861
REPB= 30.638143
POLYS= 6.148475
POLYP= 42.873822
POLYD= -36.440945
LPARP= -1.500000
LPARD= -5.245538
$end
$Z=59 Mon Aug 1 19:25:34 CEST 2016
ao=5d6s6p
lev= -4.944984 -6.271128 0.241817
exp= 2.992307 1.578839 1.385620
GAM= 0.342306
GAM3= 1.200000
REPA= 0.847281
REPB= 34.130718
POLYS= 7.806576
POLYP= 42.846148
POLYD= -36.021673
LPARP= -1.500000
LPARD= -5.064761
$end
$Z=60 Mon Aug 1 19:25:34 CEST 2016
ao=5d6s6p
lev= -4.857964 -6.266893 0.192438
exp= 2.984614 1.604196 1.390381
GAM= 0.334612
GAM3= 1.200000
REPA= 0.854701
REPB= 37.623294
POLYS= 9.464678
POLYP= 42.818474
POLYD= -35.602402
LPARP= -1.500000
LPARD= -4.883984
$end
$Z=61 Mon Aug 1 19:25:34 CEST 2016
ao=5d6s6p
lev= -4.770945 -6.262657 0.143059
exp= 2.976922 1.629552 1.395142
GAM= 0.326917
GAM3= 1.200000
REPA= 0.862121
REPB= 41.115870
POLYS= 11.122779
POLYP= 42.790801
POLYD= -35.183130
LPARP= -1.500000
LPARD= -4.703207
$end
$Z=62 Mon Aug 1 19:25:34 CEST 2016
ao=5d6s6p
lev= -4.683925 -6.258422 0.093680
exp= 2.969229 1.654909 1.399903
GAM= 0.319223
GAM3= 1.200000
REPA= 0.869541
REPB= 44.608445
POLYS= 12.780881
POLYP= 42.763127
POLYD= -34.763859
LPARP= -1.500000
LPARD= -4.522429
$end
$Z=63 Mon Aug 1 19:25:34 CEST 2016
ao=5d6s6p
lev= -4.596906 -6.254187 0.044301
exp= 2.961536 1.680265 1.404664
GAM= 0.311529
GAM3= 1.200000
REPA= 0.876961
REPB= 48.101021
POLYS= 14.438982
POLYP= 42.735454
POLYD= -34.344587
LPARP= -1.500000
LPARD= -4.341652
$end
$Z=64 Mon Aug 1 19:25:34 CEST 2016
ao=5d6s6p
lev= -4.509886 -6.249952 -0.005078
exp= 2.953843 1.705622 1.409425
GAM= 0.303835
GAM3= 1.200000
REPA= 0.884381
REPB= 51.593596
POLYS= 16.097083
POLYP= 42.707780
POLYD= -33.925315
LPARP= -1.500000
LPARD= -4.160875
$end
$Z=65 Mon Aug 1 19:25:34 CEST 2016
ao=5d6s6p
lev= -4.422867 -6.245716 -0.054457
exp= 2.946150 1.730979 1.414186
GAM= 0.296140
GAM3= 1.200000
REPA= 0.891801
REPB= 55.086172
POLYS= 17.755185
POLYP= 42.680106
POLYD= -33.506044
LPARP= -1.500000
LPARD= -3.980098
$end
$Z=66 Mon Aug 1 19:25:34 CEST 2016
ao=5d6s6p
lev= -4.335848 -6.241481 -0.103836
exp= 2.938457 1.756335 1.418947
GAM= 0.288446
GAM3= 1.200000
REPA= 0.899221
REPB= 58.578748
POLYS= 19.413286
POLYP= 42.652433
POLYD= -33.086772
LPARP= -1.500000
LPARD= -3.799321
$end
$Z=67 Mon Aug 1 19:25:34 CEST 2016
ao=5d6s6p
lev= -4.248828 -6.237246 -0.153215
exp= 2.930765 1.781692 1.423708
GAM= 0.280752
GAM3= 1.200000
REPA= 0.906641
REPB= 62.071323
POLYS= 21.071387
POLYP= 42.624759
POLYD= -32.667501
LPARP= -1.500000
LPARD= -3.618544
$end
$Z=68 Mon Aug 1 19:25:34 CEST 2016
ao=5d6s6p
lev= -4.161809 -6.233011 -0.202593
exp= 2.923072 1.807048 1.428469
GAM= 0.273058
GAM3= 1.200000
REPA= 0.914061
REPB= 65.563899
POLYS= 22.729489
POLYP= 42.597085
POLYD= -32.248229
LPARP= -1.500000
LPARD= -3.437767
$end
$Z=69 Mon Aug 1 19:25:34 CEST 2016
ao=5d6s6p
lev= -4.074789 -6.228775 -0.251972
exp= 2.915379 1.832405 1.433230
GAM= 0.265364
GAM3= 1.200000
REPA= 0.921481
REPB= 69.056474
POLYS= 24.387590
POLYP= 42.569412
POLYD= -31.828957
LPARP= -1.500000
LPARD= -3.256989
$end
$Z=70 Mon Aug 1 19:25:34 CEST 2016
ao=5d6s6p
lev= -3.987770 -6.224540 -0.301351
exp= 2.907686 1.857761 1.437991
GAM= 0.257669
GAM3= 1.200000
REPA= 0.928901
REPB= 72.549050
POLYS= 26.045692
POLYP= 42.541738
POLYD= -31.409686
LPARP= -1.500000
LPARD= -3.076212
$end
$Z=71 Tue Aug 30 10:12:13 CEST 2016
ao=5d6s6p
lev= -3.900750 -6.220305 -0.350730
exp= 2.899993 1.883118 1.442752
GAM= 0.249975
GAM3= 1.200000
REPA= 0.936321
REPB= 76.041625
POLYS= 27.703793
POLYP= 42.514065
POLYD= -30.990414
LPARP= -1.500000
LPARD= -2.895435
$end
$Z=72 Mon Jul 24 19:29:12 CEST 2017
ao=5d6s6p
lev= -3.817190 -4.131659 -2.759205
exp= 2.433439 1.918710 1.450000
GAM= 0.280206
GAM3= 0.436362
REPA= 0.831440
REPB= 55.350542
POLYS= 15.014122
POLYP= 25.669742
POLYD= -20.141582
LPARP= -1.500000
LPARD= 0.920885
$end
$Z=73 Thu Jul 27 20:48:48 CEST 2017
ao=5d6s6p
lev= -9.232014 -8.600553 -1.266176
exp= 1.747032 1.980803 1.400000
GAM= 0.209307
GAM3= -0.294270
REPA= 1.001602
REPB= 50.858491
POLYS= 29.782424
POLYP= 38.084212
POLYD= -23.077812
LPARP= -1.500000
LPARD= 5.567170