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# Copyright (c) 2006 Nanorex, Inc. All rights reserved.
# $Id$
Cl-Cl Ks= 274.70 R0= 2.0454 De= 0.3145
Cl-H Ks= 502.46 R0= 1.2872 De= 0.7163
Cl-F Ks= 437.46 R0= 1.6696 De= 0.3873
Cl-C Ks= 352.51 R0= 1.7961 De= 0.6352
Cl-N Ks= 344.38 R0= 1.7579 De= 0.3575
### Cl-O -- no energy zero
Cl-O Ks= 365.06 R0= 1.7226 De= 0.4910
Cl-B Ks= 376.69 R0= 1.7490 De= 0.8529
Cl-S Ks= 247.76 R0= 2.0945 De= 0.3779
Cl-P Ks= 249.95 R0= 2.0709 De= 0.4061
H-H Ks= 599.55 R0= 0.7432 De= 0.7763
H-F Ks= 930.16 R0= 0.9282 De= 0.9595
H-C Ks= 540.39 R0= 1.0875 De= 0.8397
H-N Ks= 716.72 R0= 1.0163 De= 0.7920
H-O Ks= 838.19 R0= 0.9653 De= 0.8485
H-B Ks= 385.25 R0= 1.1938 De= 0.7747
H-S Ks= 415.75 R0= 1.3493 De= 0.6438
H-P Ks= 363.28 R0= 1.4033 De= 0.5327
F-F Ks= 599.55 R0= 1.4111 De= 0.2414
F-C Ks= 573.94 R0= 1.4183 De= 0.8204
F-N Ks= 524.14 R0= 1.4138 De= 0.4805
F-O Ks= 524.82 R0= 1.4284 De= 0.3222
F-B Ks= 674.89 R0= 1.3298 De= 1.1693
### F-S -- no energy zero
F-S Ks= 414.90 R0= 1.6726 De= 0.5560
F-P Ks= 464.48 R0= 1.6298 De= 0.6214
C+C Ks=1730.61 R0= 1.2085 De= 1.8689
C-C Ks= 437.82 R0= 1.5488 De= 0.7578
C-N Ks= 497.22 R0= 1.5036 De= 0.6519
C-O Ks= 538.53 R0= 1.4570 De= 0.6953
C-B Ks= 374.86 R0= 1.5709 De= 0.7836
C-S Ks= 310.12 R0= 1.8444 De= 0.5671
C-P Ks= 299.57 R0= 1.8514 De= 0.4918
N-N Ks= 506.79 R0= 1.4608 De= 0.4548
N-O Ks= 533.13 R0= 1.4246 De= 0.4571
N-B Ks= 592.16 R0= 1.4282 De= 0.9424
N-S Ks= 342.60 R0= 1.7715 De= 0.4387
N-P Ks= 352.72 R0= 1.7607 De= 0.3841
O-O Ks= 495.90 R0= 1.4427 De= 0.3277
O-B Ks= 596.39 R0= 1.3882 De= 0.9424
### O-S -- no energy zero
O-S Ks= 349.25 R0= 1.7332 De= 0.4774
O-P Ks= 439.50 R0= 1.6698 De= 0.5014
B-B Ks= 255.71 R0= 1.7579 De= 0.6481
B-S Ks= 280.54 R0= 1.8715 De= 0.6401
B-P Ks= 321.32 R0= 1.8405 De= 0.6418
S-S Ks= 215.90 R0= 2.1596 De= 0.3505
S-P Ks= 242.40 R0= 2.1221 De= 0.3651
P-P Ks= 207.05 R0= 2.2003 De= 0.2030
Cl-Si Ks= 275.90 R0= 2.0824 De= 0.7021
H-Si Ks= 290.41 R0= 1.4873 De= 0.6601
F-Si Ks= 507.97 R0= 1.6332 De= 0.9925
Si-Si Ks= 165.22 R0= 2.3609 De= 0.5095
Si-C Ks= 272.66 R0= 1.8880 De= 0.6522
Si-N Ks= 359.22 R0= 1.7806 De= 0.6579
Si-O Ks= 434.29 R0= 1.6951 De= 0.7898
Si-B Ks= 204.42 R0= 2.0340 De= 0.5867
Si-S Ks= 231.15 R0= 2.1730 De= 0.5644
Si-P Ks= 201.44 R0= 2.2526 De= 0.4227
C+N Ks=2004.91 R0= 1.1580 De= 1.6892
### O=O -- no energy zero
O=O Ks=1257.24 R0= 1.2159 De= 0.2724
O=C Ks=1359.14 R0= 1.2118 De= 1.2578
C=C Ks= 988.51 R0= 1.3344 De= 1.2708
N+N Ks=2477.70 R0= 1.1054 De= 1.5347
N=N Ks=1278.37 R0= 1.2315 De= 0.8346
N=O Ks=1320.74 R0= 1.2056 De= 0.7920
N=C Ks=1167.02 R0= 1.2701 De= 1.1232
Al-Br Ks=175.9190892 R0= 2.2781336 De= 0.709115347
Al-Cl Ks=214.4881701 R0= 2.1199365 De= 0.795504990
Al-F Ks=399.7831302 R0= 1.6758284 De= 1.076786784
Al-H Ks=204.4469933 R0= 1.5868836 De= 0.605784512
Al-Al Ks=80.76877352 R0= 2.5944099 De= 0.413513223
Al-As Ks=174.6263023 R0= 2.3180295 De= 0.377967218
Al-B Ks=147.2176206 R0= 2.1239956 De= 0.537679507
Al-Ga Ks=91.73760049 R0= 2.5248600 De= 0.425077319
Al-N Ks=365.8205385 R0= 1.7887079 De= 0.749805742
Al-P Ks=191.2725667 R0= 2.2386585 De= 0.443040731
Al-C Ks=214.1190768 R0= 1.9655508 De= 0.618140294
Al-Ge Ks=100.2809470 R0= 2.4924882 De= 0.464126686
Al-Si Ks=114.1044830 R0= 2.4685277 De= 0.470117242
Al-O Ks=336.4211025 R0= 1.7185156 De= 0.870500818
Al-S Ks=189.2307685 R0= 2.2027478 De= 0.642759248
Al-Se Ks=159.9422154 R0= 2.3372936 De= 0.591520680
C@C Ks=806.0014 R0= 1.39859 De= 1.2
# graphite bond length is from experimental data, stiffness unknown
#C#C Ks=806.0014 R0= 1.415 De= 1.2 Quality=7
# this number is better for nanotubes, also experimental
C#C Ks=806.0014 R0= 1.421 De= 1.2 Quality=7
# These are copies of the H-C parameters, since we could get one of
# these by ignoring valence errors on the edges of a graphite sheet, for
# example.
H@C Ks= 540.39 R0= 1.0875 De= 0.8397
H#C Ks= 540.39 R0= 1.0875 De= 0.8397
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