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BASIS_ADMM_MOLOPT
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8738 lines (8325 loc) · 185 KB
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################################################################
#
# Auxiliary Basis Sets Optimised from Molecular Calculations
#
# by
#
# Sanliang Ling & Ben Slater
#
# University College London
#
# E-mail: S.Ling@ucl.ac.uk
#
# Updated 27 Feb 2015
#
# The basis sets in this library were optimised following the
# strategy of fitting primary MOLOPT basis sets as described by
# VandeVondele and Hutter in J. Chem. Phys. 127, 114105 (2007),
# and the molecules used in the basis set optimisations were taken
# from Phys. Chem. Chem. Phys. 7, 3297 (2005). The basis sets
# included in this library have not been exhaustively tested. If
# you encounter problems when using these basis sets, please get
# in touch with the authors.
#
# Nomenclature:
#
# (c)FIT?: "c" indicates it is a basis set contracted from the
# uncontracted ADMM basis set FIT?, and the number ? indicates the
# number of Gaussian exponents.
#
################################################################
Li cFIT4
2
1 0 0 1 1
0.03262984 1.00000000
1 0 0 3 2
0.52140146 0.20867571 -0.97593987
1.87732160 0.83154821 0.14303820
7.13651609 0.51476395 0.16456434
Li cFIT4-SR
2
1 0 0 1 1
0.10000519 1.00000000
1 0 0 3 2
0.52583963 0.28278583 -0.95736748
1.84928060 0.81285423 0.20654278
7.04557800 0.50921524 0.20195937
Li cFIT5
3
1 0 0 1 1
0.04674458 1.00000000
1 0 0 3 2
0.54073423 0.15993294 -0.94856173
1.85185206 0.77070212 -0.05295896
6.96674538 0.61679780 0.31213123
1 1 1 1 1
0.09039288 1.00000000
Li cFIT5-SR
3
1 0 0 1 1
0.10000066 1.00000000
1 0 0 3 2
0.54702204 0.03992148 -1.00000000
2.03450441 0.87627840 0.02016454
7.68835831 0.48014832 0.04623760
1 1 1 1 1
0.10000793 1.00000000
Li FIT4
4
1 0 0 1 1
0.03262984 1.00000000
1 0 0 1 1
0.52140146 1.00000000
1 0 0 1 1
1.87732160 1.00000000
1 0 0 1 1
7.13651609 1.00000000
Li FIT4-SR
4
1 0 0 1 1
0.10000519 1.00000000
1 0 0 1 1
0.52583963 1.00000000
1 0 0 1 1
1.84928060 1.00000000
1 0 0 1 1
7.04557800 1.00000000
Li FIT5
5
1 0 0 1 1
0.04674458 1.00000000
1 0 0 1 1
0.54073423 1.00000000
1 0 0 1 1
1.85185206 1.00000000
1 0 0 1 1
6.96674538 1.00000000
1 1 1 1 1
0.09039288 1.00000000
Li FIT5-SR
5
1 0 0 1 1
0.10000066 1.00000000
1 0 0 1 1
0.54702204 1.00000000
1 0 0 1 1
2.03450441 1.00000000
1 0 0 1 1
7.68835831 1.00000000
1 1 1 1 1
0.10000793 1.00000000
O FIT9
9
1 0 0 1 1
0.10973395 1.0
1 0 0 1 1
0.30997753 1.0
1 0 0 1 1
0.90701568 1.0
1 0 0 1 1
8.36590290 1.0
1 1 1 1 1
0.15487182 1.0
1 1 1 1 1
0.51904315 1.0
1 1 1 1 1
1.68161321 1.0
1 1 1 1 1
6.51644897 1.0
1 2 2 1 1
0.87492263 1.0
Al cFIT6
4
1 0 0 1 1
0.07827282 1.00000000
1 0 0 2 1
0.20589723 -0.90886521
1.04737353 0.41709006
1 1 1 1 1
0.07829071 1.00000000
1 1 1 2 1
0.23663434 1.00000000
4.32573032 -0.01561239
Al cFIT7
5
1 0 0 1 1
0.07828241 1.00000000
1 0 0 2 1
0.19779932 -0.91873467
0.97879881 0.39487532
1 1 1 1 1
0.07838935 1.00000000
1 1 1 2 1
0.25519243 1.00000000
0.99430484 -0.07606109
1 2 2 1 1
0.38412443 1.00000000
Al cFIT8
4
1 0 0 1 1
0.07827652 1.00000000
1 0 0 3 1
0.20558120 -0.89631218
1.12384260 0.44205090
2.24242973 -0.03486295
1 1 1 1 1
0.07827753 1.00000000
1 1 1 3 1
0.24544956 1.00000000
0.54726964 0.05316738
1.22593963 -0.08126099
Al cFIT9
5
1 0 0 1 1
0.07827381 1.00000000
1 0 0 3 1
0.19964130 -0.91985899
0.95153022 0.39213270
2.27682853 0.00954927
1 1 1 1 1
0.07828222 1.00000000
1 1 1 3 1
0.25281572 1.00000000
1.25741601 -0.07477365
3.79174948 0.01025856
1 2 2 1 1
0.38424414 1.00000000
Al FIT6
6
1 0 0 1 1
0.07827282 1.00000000
1 0 0 1 1
0.20589723 1.00000000
1 0 0 1 1
1.04737353 1.00000000
1 1 1 1 1
0.07829071 1.00000000
1 1 1 1 1
0.23663434 1.00000000
1 1 1 1 1
4.32573032 1.00000000
Al FIT7
7
1 0 0 1 1
0.07828241 1.00000000
1 0 0 1 1
0.19779932 1.00000000
1 0 0 1 1
0.97879881 1.00000000
1 1 1 1 1
0.07838935 1.00000000
1 1 1 1 1
0.25519243 1.00000000
1 1 1 1 1
0.99430484 1.00000000
1 2 2 1 1
0.38412443 1.00000000
Al FIT8
8
1 0 0 1 1
0.07827652 1.00000000
1 0 0 1 1
2.24242973 1.00000000
1 0 0 1 1
0.20558120 1.00000000
1 0 0 1 1
1.12384260 1.00000000
1 1 1 1 1
0.07827753 1.00000000
1 1 1 1 1
0.24544956 1.00000000
1 1 1 1 1
1.22593963 1.00000000
1 1 1 1 1
0.54726964 1.00000000
Al FIT9
9
1 0 0 1 1
0.07827381 1.00000000
1 0 0 1 1
2.27682853 1.00000000
1 0 0 1 1
0.19964130 1.00000000
1 0 0 1 1
0.95153022 1.00000000
1 1 1 1 1
0.07828222 1.00000000
1 1 1 1 1
0.25281572 1.00000000
1 1 1 1 1
3.79174948 1.00000000
1 1 1 1 1
1.25741601 1.00000000
1 2 2 1 1
0.38424414 1.00000000
K cFIT7
4
1 0 0 1 1
0.04000636 1.00000000
1 0 0 3 2
0.48328841 -0.57032150 0.82141584
5.53879070 0.70291877 0.48996404
7.43298292 -0.42501605 -0.29190964
1 1 1 1 1
0.25054678 1.00000000
1 1 1 2 1
0.85225862 1.00000000
9.09772205 -0.03526532
K cFIT8
5
1 0 0 1 1
0.04000730 1.00000000
1 0 0 3 2
0.48429769 -0.42956868 0.90302777
5.51513672 0.77131367 0.36494818
7.41867399 -0.46962303 -0.22661354
1 1 1 1 1
0.25528103 1.00000000
1 1 1 2 1
0.85829592 1.00000000
8.86258602 -0.03595749
1 2 2 1 1
0.33648682 1.00000000
K cFIT9
5
1 0 0 1 1
0.04000638 1.00000000
1 0 0 3 2
0.48683405 -0.32149819 0.94670606
5.46774149 0.80213308 0.26125127
7.39996958 -0.50321108 -0.18840200
1 1 1 1 1
0.04000889 1.00000000
1 1 1 3 1
0.27493745 0.60627043
0.89001876 0.79460013
7.61495256 -0.03235504
1 2 2 1 1
0.33072704 1.00000000
K cFIT10
5
1 0 0 1 1
0.04000102 1.00000000
1 0 0 4 2
0.20526965 -0.79789037 -0.36750069
0.60924196 -0.18795565 0.90481722
4.23517227 0.52133232 -0.19704512
5.76489449 -0.23718384 0.08615156
1 1 1 1 1
0.04001767 1.00000000
1 1 1 3 1
0.27571476 0.60763431
0.89120460 0.79355258
7.56974316 -0.03247637
1 2 2 1 1
0.33765498 1.00000000
K cFIT11
5
1 0 0 1 1
0.04000443 1.00000000
1 0 0 4 2
0.20742790 0.08658321 0.45406237
0.61180496 -0.28852329 0.86207861
4.20596933 0.84670556 0.17240076
5.77496529 -0.43857437 -0.14465716
1 1 1 1 1
0.04000310 1.00000000
1 1 1 4 1
0.18488635 0.32606438
0.47283316 0.73747241
1.15007854 0.58763242
4.46604395 -0.06711601
1 2 2 1 1
0.34394842 1.00000000
K FIT7
7
1 0 0 1 1
0.48328841 1.00000000
1 0 0 1 1
0.04000636 1.00000000
1 0 0 1 1
5.53879070 1.00000000
1 0 0 1 1
7.43298292 1.00000000
1 1 1 1 1
9.09772205 1.00000000
1 1 1 1 1
0.25054678 1.00000000
1 1 1 1 1
0.85225862 1.00000000
K FIT8
8
1 0 0 1 1
0.48429769 1.00000000
1 0 0 1 1
0.04000730 1.00000000
1 0 0 1 1
5.51513672 1.00000000
1 0 0 1 1
7.41867399 1.00000000
1 1 1 1 1
8.86258602 1.00000000
1 1 1 1 1
0.25528103 1.00000000
1 1 1 1 1
0.85829592 1.00000000
1 2 2 1 1
0.33648682 1.00000000
K FIT9
9
1 0 0 1 1
0.48683405 1.00000000
1 0 0 1 1
0.04000638 1.00000000
1 0 0 1 1
5.46774149 1.00000000
1 0 0 1 1
7.39996958 1.00000000
1 1 1 1 1
7.61495256 1.00000000
1 1 1 1 1
0.04000889 1.00000000
1 1 1 1 1
0.27493745 1.00000000
1 1 1 1 1
0.89001876 1.00000000
1 2 2 1 1
0.33072704 1.00000000
K FIT10
10
1 0 0 1 1
0.04000102 1.00000000
1 0 0 1 1
0.60924196 1.00000000
1 0 0 1 1
0.20526965 1.00000000
1 0 0 1 1
5.76489449 1.00000000
1 0 0 1 1
4.23517227 1.00000000
1 1 1 1 1
7.56974316 1.00000000
1 1 1 1 1
0.04001767 1.00000000
1 1 1 1 1
0.27571476 1.00000000
1 1 1 1 1
0.89120460 1.00000000
1 2 2 1 1
0.33765498 1.00000000
K FIT11
11
1 0 0 1 1
0.04000443 1.00000000
1 0 0 1 1
0.61180496 1.00000000
1 0 0 1 1
0.20742790 1.00000000
1 0 0 1 1
4.20596933 1.00000000
1 0 0 1 1
5.77496529 1.00000000
1 1 1 1 1
0.04000310 1.00000000
1 1 1 1 1
4.46604395 1.00000000
1 1 1 1 1
0.18488635 1.00000000
1 1 1 1 1
0.47283316 1.00000000
1 1 1 1 1
1.15007854 1.00000000
1 2 2 1 1
0.34394842 1.00000000
Ca cFIT7
5
1 0 0 1 1
0.25186509 1.00000000
1 0 0 2 1
0.79770637 0.92590249
3.14745235 -0.37776244
1 1 1 1 1
0.32982159 1.00000000
1 1 1 2 1
1.03036702 1.00000000
9.15054798 -0.05195613
1 2 2 1 1
0.67544425 1.00000000
Ca cFIT8
5
1 0 0 1 1
0.06989830 1.00000000
1 0 0 3 2
0.60850513 -0.83686054 0.54612577
5.98874474 0.46839032 0.67884797
8.02101612 -0.28332803 -0.49082795
1 1 1 1 1
0.32982400 1.00000000
1 1 1 2 1
1.03037107 1.00000000
9.15038586 -0.05195728
1 2 2 1 1
0.59260237 1.00000000
Ca cFIT9
5
1 0 0 1 1
0.05514416 1.00000000
1 0 0 3 2
0.60322350 -0.83727670 0.54513276
6.07146978 0.46613166 0.67109549
8.07584858 -0.28581280 -0.50245517
1 1 1 1 1
0.05775443 1.00000000
1 1 1 3 1
0.35415807 0.57735306
1.06987882 0.81504363
7.89878321 -0.04865516
1 2 2 1 1
0.60035181 1.00000000
Ca cFIT10
5
1 0 0 1 1
0.05513836 1.00000000
1 0 0 4 2
0.26596221 -0.89004177 -0.24193397
0.74517238 -0.12829629 0.94598657
4.24847794 0.42235741 -0.21284093
8.32306194 -0.11392905 0.03572263
1 1 1 1 1
0.05769166 1.00000000
1 1 1 3 1
0.35408846 0.57722390
1.06975019 0.81513608
7.90247631 -0.04863778
1 2 2 1 1
0.60774422 1.00000000
Ca cFIT11
5
1 0 0 1 1
0.05510221 1.00000000
1 0 0 4 2
0.26581326 -0.87149054 -0.27266711
0.74320012 -0.14903077 0.93884987
4.34545898 0.44616225 -0.20619695
7.80250549 -0.13868400 0.04118706
1 1 1 1 1
0.05503731 1.00000000
1 1 1 4 1
5.34955549 -0.08567888
0.23329283 0.26652151
0.56400412 0.72488856
1.34123552 0.62941396
1 2 2 1 1
0.60772151 1.00000000
Ca FIT7
7
1 0 0 1 1
0.25186509 1.00000000
1 0 0 1 1
0.79770637 1.00000000
1 0 0 1 1
3.14745235 1.00000000
1 1 1 1 1
9.15054798 1.00000000
1 1 1 1 1
0.32982159 1.00000000
1 1 1 1 1
1.03036702 1.00000000
1 2 2 1 1
0.67544425 1.00000000
Ca FIT8
8
1 0 0 1 1
0.06989830 1.00000000
1 0 0 1 1
0.60850513 1.00000000
1 0 0 1 1
5.98874474 1.00000000
1 0 0 1 1
8.02101612 1.00000000
1 1 1 1 1
9.15038586 1.00000000
1 1 1 1 1
0.32982400 1.00000000
1 1 1 1 1
1.03037107 1.00000000
1 2 2 1 1
0.59260237 1.00000000
Ca FIT9
9
1 0 0 1 1
0.05514416 1.00000000
1 0 0 1 1
0.60322350 1.00000000
1 0 0 1 1
6.07146978 1.00000000
1 0 0 1 1
8.07584858 1.00000000
1 1 1 1 1
7.89878321 1.00000000
1 1 1 1 1
0.05775443 1.00000000
1 1 1 1 1
0.35415807 1.00000000
1 1 1 1 1
1.06987882 1.00000000
1 2 2 1 1
0.60035181 1.00000000
Ca FIT10
10
1 0 0 1 1
0.05513836 1.00000000
1 0 0 1 1
0.74517238 1.00000000
1 0 0 1 1
0.26596221 1.00000000
1 0 0 1 1
4.24847794 1.00000000
1 0 0 1 1
8.32306194 1.00000000
1 1 1 1 1
7.90247631 1.00000000
1 1 1 1 1
0.05769166 1.00000000
1 1 1 1 1
0.35408846 1.00000000
1 1 1 1 1
1.06975019 1.00000000
1 2 2 1 1
0.60774422 1.00000000
Ca FIT11
11
1 0 0 1 1
0.05510221 1.00000000
1 0 0 1 1
0.74320012 1.00000000
1 0 0 1 1
0.26581326 1.00000000
1 0 0 1 1
4.34545898 1.00000000
1 0 0 1 1
7.80250549 1.00000000
1 1 1 1 1
0.05503731 1.00000000
1 1 1 1 1
5.34955549 1.00000000
1 1 1 1 1
0.23329283 1.00000000
1 1 1 1 1
0.56400412 1.00000000
1 1 1 1 1
1.34123552 1.00000000
1 2 2 1 1
0.60772151 1.00000000
Sc cFIT10
6
1 0 0 1 1
0.05445780 1.00000000
1 0 0 3 2
0.22053386 -0.93628025 0.21284220
0.81380332 0.28635022 0.92322081
4.04433966 0.20342743 -0.31993997
1 1 1 1 1
0.43741053 1.00000000
1 1 1 2 1
1.33705294 1.00000000
11.35740185 -0.09631000
1 2 2 1 1
0.21338108 1.00000000
1 2 2 2 1
0.85761738 0.90160877
3.69121981 0.43255255
Sc cFIT11
7
1 0 0 1 1
0.05445312 1.00000000
1 0 0 3 2
0.21013072 -0.93362033 0.21978803
0.81177837 0.29399711 0.92131770
4.04825544 0.20474054 -0.32072866
1 1 1 1 1
0.44110987 1.00000000
1 1 1 2 1
1.34173965 1.00000000
11.27080822 -0.09714310
1 2 2 1 1
0.20194377 1.00000000
1 2 2 2 1
0.83800578 0.90283716
3.66159987 0.42998257
1 3 3 1 1
0.17904857 1.00000000
Sc cFIT12
7
1 0 0 1 1
0.05444342 1.00000000
1 0 0 3 2
0.24740857 -0.92754394 0.22937042
0.83002859 0.30816951 0.91605669
4.01241446 0.21140862 -0.32898200
1 1 1 1 1
0.44216770 1.00000000
1 1 1 2 1
1.34405172 1.00000000
11.21358490 -0.09752055
1 2 2 1 1
0.10544641 1.00000000
1 2 2 3 1
0.35024968 0.71126378
1.19228721 0.63443667
4.25114346 0.30264461
1 3 3 1 1
0.11591538 1.00000000
Sc cFIT13
7
1 0 0 1 1
0.05444300 1.00000000
1 0 0 3 2
0.21196193 -0.95765418 0.11163485
0.81498486 0.18234998 0.94850373
4.03865671 0.22281553 -0.29644275
1 1 1 1 1
0.08926053 1.00000000
1 1 1 3 1
0.46484146 0.64080548
1.37979472 0.76349074
10.50637436 -0.08031341
1 2 2 1 1
0.09664398 1.00000000
1 2 2 3 1
0.32541960 0.71229422
1.14287639 0.63225943
4.16044855 0.30477014
1 3 3 1 1
0.30972791 1.00000000
Sc FIT10
10
1 0 0 1 1
0.05445780 1.00000000
1 0 0 1 1
0.81380332 1.00000000
1 0 0 1 1
0.22053386 1.00000000
1 0 0 1 1
4.04433966 1.00000000
1 1 1 1 1
0.43741053 1.00000000
1 1 1 1 1
1.33705294 1.00000000
1 1 1 1 1
11.35740185 1.00000000
1 2 2 1 1
0.21338108 1.00000000
1 2 2 1 1
0.85761738 1.00000000
1 2 2 1 1
3.69121981 1.00000000
Sc FIT11
11
1 0 0 1 1
0.05445312 1.00000000
1 0 0 1 1
0.81177837 1.00000000
1 0 0 1 1
0.21013072 1.00000000
1 0 0 1 1
4.04825544 1.00000000
1 1 1 1 1
0.44110987 1.00000000
1 1 1 1 1
1.34173965 1.00000000
1 1 1 1 1
11.27080822 1.00000000
1 2 2 1 1
0.20194377 1.00000000
1 2 2 1 1
0.83800578 1.00000000
1 2 2 1 1
3.66159987 1.00000000
1 3 3 1 1
0.17904857 1.00000000
Sc FIT12
12
1 0 0 1 1
0.05444342 1.00000000
1 0 0 1 1
0.83002859 1.00000000
1 0 0 1 1
0.24740857 1.00000000
1 0 0 1 1
4.01241446 1.00000000
1 1 1 1 1
0.44216770 1.00000000
1 1 1 1 1
1.34405172 1.00000000
1 1 1 1 1
11.21358490 1.00000000
1 2 2 1 1
0.10544641 1.00000000
1 2 2 1 1
0.35024968 1.00000000
1 2 2 1 1
1.19228721 1.00000000
1 2 2 1 1
4.25114346 1.00000000
1 3 3 1 1
0.11591538 1.00000000
Sc FIT13
13
1 0 0 1 1
0.05444300 1.00000000
1 0 0 1 1
0.81498486 1.00000000
1 0 0 1 1
0.21196193 1.00000000
1 0 0 1 1
4.03865671 1.00000000
1 1 1 1 1
0.08926053 1.00000000
1 1 1 1 1
0.46484146 1.00000000
1 1 1 1 1
1.37979472 1.00000000
1 1 1 1 1
10.50637436 1.00000000
1 2 2 1 1
0.09664398 1.00000000
1 2 2 1 1
0.32541960 1.00000000
1 2 2 1 1
1.14287639 1.00000000
1 2 2 1 1
4.16044855 1.00000000
1 3 3 1 1
0.30972791 1.00000000
Ti cFIT10
6
1 0 0 1 1
0.10001966 1.00000000
1 0 0 3 2
0.40963197 -0.39797580 0.56096244
1.06186104 0.81670731 0.57704914
4.39901876 0.41785684 -0.59357840
1 1 1 1 1
0.52985233 1.00000000
1 1 1 2 1
1.57394040 1.00000000
11.83843422 -0.09674338
1 2 2 1 1
0.25675246 1.00000000
1 2 2 2 1
1.02358115 0.88716912
4.21355677 0.46144414
Ti cFIT11
7
1 0 0 1 1
0.10001738 1.00000000
1 0 0 3 2
0.51778507 0.66923159 0.10374122
1.22453356 0.63752925 0.42847815
4.22013330 0.38168794 -0.89757681
1 1 1 1 1
0.53247041 1.00000000
1 1 1 2 1
1.57742596 1.00000000
11.78131390 -0.09732223
1 2 2 1 1
0.24966492 1.00000000
1 2 2 2 1
1.01468694 0.88730943
4.19817352 0.46117452
1 3 3 1 1
0.32508090 1.00000000
Ti cFIT12
7
1 0 0 1 1
0.10003691 1.00000000
1 0 0 3 2
0.51792431 0.69954014 0.14482379
1.22691453 0.54568136 0.52399957
4.21681833 0.46138415 -0.83931553
1 1 1 1 1
0.53307277 1.00000000
1 1 1 2 1
1.57934952 1.00000000
11.71602917 -0.09762874
1 2 2 1 1
0.14163762 1.00000000
1 2 2 3 1
0.43913323 0.70212597
1.46280372 0.63695884
4.92386961 0.31828076
1 3 3 1 1
0.30135033 1.00000000
Ti cFIT13
7
1 0 0 1 1
0.10003960 1.00000000
1 0 0 3 2
0.51751995 0.66247499 -0.12547322
1.22376287 0.74695867 0.18486488
4.22097588 0.05638901 -0.97472113
1 1 1 1 1
0.15568866 1.00000000
1 1 1 3 1
0.58569992 0.67184734
1.66217601 0.73594630
10.44192982 -0.08369116
1 2 2 1 1
0.12276381 1.00000000
1 2 2 3 1
0.37872502 0.68603927
1.32352102 0.64695764
4.68709755 0.33286014
1 3 3 1 1
0.32784334 1.00000000
Ti FIT10
10
1 0 0 1 1
0.10001966 1.00000000
1 0 0 1 1
1.06186104 1.00000000
1 0 0 1 1
0.40963197 1.00000000
1 0 0 1 1
4.39901876 1.00000000
1 1 1 1 1
0.52985233 1.00000000
1 1 1 1 1
1.57394040 1.00000000
1 1 1 1 1
11.83843422 1.00000000
1 2 2 1 1
0.25675246 1.00000000
1 2 2 1 1
1.02358115 1.00000000
1 2 2 1 1
4.21355677 1.00000000
Ti FIT11
11
1 0 0 1 1
0.10001738 1.00000000
1 0 0 1 1
1.22453356 1.00000000
1 0 0 1 1
0.51778507 1.00000000
1 0 0 1 1
4.22013330 1.00000000
1 1 1 1 1
0.53247041 1.00000000
1 1 1 1 1
1.57742596 1.00000000
1 1 1 1 1
11.78131390 1.00000000
1 2 2 1 1
0.24966492 1.00000000
1 2 2 1 1
1.01468694 1.00000000
1 2 2 1 1
4.19817352 1.00000000
1 3 3 1 1
0.32508090 1.00000000
Ti FIT12
12
1 0 0 1 1
0.10003691 1.00000000
1 0 0 1 1
1.22691453 1.00000000
1 0 0 1 1
0.51792431 1.00000000
1 0 0 1 1
4.21681833 1.00000000
1 1 1 1 1
0.53307277 1.00000000
1 1 1 1 1
1.57934952 1.00000000
1 1 1 1 1
11.71602917 1.00000000
1 2 2 1 1
0.14163762 1.00000000
1 2 2 1 1
0.43913323 1.00000000
1 2 2 1 1
1.46280372 1.00000000
1 2 2 1 1
4.92386961 1.00000000
1 3 3 1 1
0.30135033 1.00000000