mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-11-18 11:23:38 +01:00
865 lines
29 KiB
Plaintext
865 lines
29 KiB
Plaintext
POTASSIUM
|
|
S 5
|
|
1 3.0720000 -0.3084300
|
|
2 0.6752000 0.7823840
|
|
3 0.2545000 0.4144540
|
|
4 0.0529000 -0.0024350
|
|
5 0.0209000 0.0029250
|
|
S 5
|
|
1 3.0720000 0.0688870
|
|
2 0.6752000 -0.1990260
|
|
3 0.2545000 -0.2755520
|
|
4 0.0529000 0.3619550
|
|
5 0.0209000 0.7781790
|
|
P 5
|
|
1 8.2330000 -0.0417380
|
|
2 0.9526000 0.5741890
|
|
3 0.3013000 0.5202960
|
|
4 0.0376000 0.0308220
|
|
5 0.0140000 -0.0116170
|
|
|
|
CALCIUM
|
|
S 5
|
|
1 3.4840000 -0.3418550
|
|
2 0.8551000 0.7774450
|
|
3 0.3192000 0.4718150
|
|
4 0.1447000 -0.0349290
|
|
5 0.0350000 0.0072470
|
|
S 5
|
|
1 3.4840000 0.0974140
|
|
2 0.8551000 -0.2556490
|
|
3 0.3192000 -0.4481070
|
|
4 0.1447000 0.3831930
|
|
5 0.0350000 0.9174500
|
|
P 5
|
|
1 9.4200000 -0.0434920
|
|
2 1.1500000 0.6006810
|
|
3 0.3688000 0.4938140
|
|
4 0.0705000 0.0144270
|
|
5 0.0263000 -0.0004320
|
|
|
|
SCANDIUM
|
|
S 5
|
|
1 3.7170000 -0.3914030
|
|
2 1.0970000 0.7125020
|
|
3 0.4164000 0.5492200
|
|
4 0.0761000 0.0062150
|
|
5 0.0284000 -0.0005830
|
|
S 5
|
|
1 3.7170000 0.1039960
|
|
2 1.0970000 -0.2151460
|
|
3 0.4164000 -0.3283540
|
|
4 0.0761000 0.5328950
|
|
5 0.0284000 0.6274410
|
|
P 5
|
|
1 10.4000000 -0.0490370
|
|
2 1.3110000 0.6048730
|
|
3 0.4266000 0.4898770
|
|
4 0.0470000 0.0217070
|
|
5 0.0140000 -0.0071310
|
|
D 5
|
|
1 15.1300000 0.0313120
|
|
2 4.2050000 0.1435110
|
|
3 1.3030000 0.3523500
|
|
4 0.3680000 0.5150240
|
|
5 0.0812000 0.3777680
|
|
|
|
TITANIUM
|
|
S 5
|
|
1 4.3720000 -0.3634390
|
|
2 1.0980000 0.8178440
|
|
3 0.4178000 0.4181410
|
|
4 0.0872000 0.0010670
|
|
5 0.0314000 0.0006310
|
|
S 5
|
|
1 4.3720000 0.0962350
|
|
2 1.0980000 -0.2618550
|
|
3 0.4178000 -0.2768010
|
|
4 0.0872000 0.5378380
|
|
5 0.0314000 0.6308820
|
|
P 5
|
|
1 12.5200000 -0.0455280
|
|
2 1.4910000 0.6181270
|
|
3 0.4859000 0.4748400
|
|
4 0.0530000 0.0208020
|
|
5 0.0160000 -0.0070080
|
|
D 5
|
|
1 20.2100000 0.0287260
|
|
2 5.4950000 0.1437650
|
|
3 1.6990000 0.3704110
|
|
4 0.4840000 0.5140400
|
|
5 0.1157000 0.3426600
|
|
|
|
VANADIUM
|
|
S 5
|
|
1 4.5900000 -0.4253050
|
|
2 1.4930000 0.7029610
|
|
3 0.5570000 0.5862380
|
|
4 0.0975000 0.0119350
|
|
5 0.0342000 -0.0020890
|
|
S 5
|
|
1 4.5900000 0.1122370
|
|
2 1.4930000 -0.2108140
|
|
3 0.5570000 -0.3199350
|
|
4 0.0975000 0.4939230
|
|
5 0.0342000 0.6582130
|
|
P 5
|
|
1 13.7600000 -0.0480550
|
|
2 1.7120000 0.6118730
|
|
3 0.5587000 0.4820670
|
|
4 0.0590000 0.0219720
|
|
5 0.0180000 -0.0076780
|
|
D 5
|
|
1 25.7000000 0.0278370
|
|
2 6.5300000 0.1510070
|
|
3 2.0780000 0.3677360
|
|
4 0.6243000 0.5032740
|
|
5 0.1542000 0.3381290
|
|
|
|
CHROMIUM
|
|
S 5
|
|
1 5.3610000 -0.3796040
|
|
2 1.4490000 0.7775860
|
|
3 0.5496000 0.4718780
|
|
4 0.1052000 0.0044600
|
|
5 0.0364000 0.0007640
|
|
S 5
|
|
1 5.3610000 0.0989660
|
|
2 1.4490000 -0.2436230
|
|
3 0.5496000 -0.2716690
|
|
4 0.1052000 0.5002680
|
|
5 0.0364000 0.6546470
|
|
P 5
|
|
1 16.4200000 -0.0459780
|
|
2 1.9140000 0.6088490
|
|
3 0.6241000 0.4842550
|
|
4 0.0630000 0.0220860
|
|
5 0.0190000 -0.0078720
|
|
D 5
|
|
1 28.9500000 0.0286290
|
|
2 7.7080000 0.1508900
|
|
3 2.4950000 0.3703730
|
|
4 0.7655000 0.5035880
|
|
5 0.1889000 0.3280140
|
|
|
|
MANGANESE
|
|
S 5
|
|
1 5.9140000 -0.3745410
|
|
2 1.6050000 0.7685600
|
|
3 0.6260000 0.4745150
|
|
4 0.1115000 0.0107860
|
|
5 0.0380000 -0.0015500
|
|
S 5
|
|
1 5.9140000 0.0943440
|
|
2 1.6050000 -0.2313900
|
|
3 0.6260000 -0.2606820
|
|
4 0.1115000 0.4897050
|
|
5 0.0380000 0.6559950
|
|
P 5
|
|
1 18.2000000 -0.0446500
|
|
2 2.1410000 0.6240730
|
|
3 0.7009000 0.4681640
|
|
4 0.0690000 0.0206100
|
|
5 0.0210000 -0.0074930
|
|
D 5
|
|
1 32.2700000 0.0289550
|
|
2 8.8750000 0.1492850
|
|
3 2.8900000 0.3724950
|
|
4 0.8761000 0.5037980
|
|
5 0.2120000 -0.3312440
|
|
|
|
IRON
|
|
S 3
|
|
1 6.4220000 -0.3927882
|
|
2 1.8260000 0.7712643
|
|
3 0.7135000 0.4920228
|
|
S 4
|
|
1 6.4220000 0.1786877
|
|
2 1.8260000 -0.4194032
|
|
3 0.7135000 -0.4568185
|
|
4 0.1021000 1.1035048
|
|
S 1
|
|
1 0.0363000 1.0000000
|
|
P 3
|
|
1 19.4800000 -0.0470282
|
|
2 2.3890000 0.6248841
|
|
3 0.7795000 0.4722542
|
|
P 1
|
|
1 0.0740000 1.0000000
|
|
P 1
|
|
1 0.0220000 1.0000000
|
|
D 4
|
|
1 37.0800000 0.0329000
|
|
2 10.1000000 0.1787418
|
|
3 3.2200000 0.4487657
|
|
4 0.9628000 0.5876361
|
|
D 1
|
|
1 0.2262000 1.0000000
|
|
|
|
COBALT
|
|
S 3
|
|
1 7.1760000 -0.3856734
|
|
2 2.0090000 0.7453116
|
|
3 0.8055000 0.5091819
|
|
S 4
|
|
1 7.1760000 0.1736161
|
|
2 2.0090000 -0.3970442
|
|
3 0.8055000 -0.4630622
|
|
4 0.1070000 1.0899654
|
|
S 1
|
|
1 0.0375000 1.0000000
|
|
P 3
|
|
1 21.3900000 -0.0480413
|
|
2 2.6500000 0.6222337
|
|
3 0.8619000 0.4758042
|
|
P 1
|
|
1 0.0800000 1.0000000
|
|
P 1
|
|
1 0.0230000 1.0000000
|
|
D 4
|
|
1 39.2500000 0.0361541
|
|
2 10.7800000 0.1896744
|
|
3 3.4960000 0.4524981
|
|
4 1.0660000 0.5710427
|
|
D 1
|
|
1 0.2606000 1.0000000
|
|
|
|
NICKEL
|
|
S 3
|
|
1 7.6200000 -0.4082550
|
|
2 2.2940000 0.7455308
|
|
3 0.8760000 0.5325721
|
|
S 4
|
|
1 7.6200000 0.1872591
|
|
2 2.2940000 -0.3966964
|
|
3 0.8760000 -0.4954003
|
|
4 0.1153000 1.0844343
|
|
S 1
|
|
1 0.0396000 1.0000000
|
|
P 3
|
|
1 23.6600000 -0.0481558
|
|
2 2.8930000 0.6258473
|
|
3 0.9435000 0.4715158
|
|
P 1
|
|
1 0.0840000 1.0000000
|
|
P 1
|
|
1 0.0240000 1.0000000
|
|
D 4
|
|
1 42.7200000 0.0372699
|
|
2 11.7600000 0.1956103
|
|
3 3.8170000 0.4561273
|
|
4 1.1690000 0.5621587
|
|
D 1
|
|
1 0.2836000 1.0000000
|
|
|
|
COPPER
|
|
S 3
|
|
1 8.1760000 -0.4210260
|
|
2 2.5680000 0.7385924
|
|
3 0.9587000 0.5525692
|
|
S 4
|
|
1 8.1760000 0.1787665
|
|
2 2.5680000 -0.3592273
|
|
3 0.9587000 -0.4704825
|
|
4 0.1153000 1.0807407
|
|
S 1
|
|
1 0.0396000 1.0000000
|
|
P 3
|
|
1 25.6300000 -0.0489173
|
|
2 3.1660000 0.6272854
|
|
3 1.0230000 0.4716188
|
|
P 1
|
|
1 0.0860000 1.0000000
|
|
P 1
|
|
1 0.0240000 1.0000000
|
|
D 4
|
|
1 41.3400000 0.0465424
|
|
2 11.4200000 0.2227824
|
|
3 3.8390000 0.4539059
|
|
4 1.2300000 0.5314769
|
|
D 1
|
|
1 0.3102000 1.0000000
|
|
|
|
RUBIDIUM
|
|
S 3
|
|
1 1.4570000 -1.0617406
|
|
2 0.9400000 1.1722125
|
|
3 0.2706000 0.7437008
|
|
S 4
|
|
1 1.4570000 0.5052174
|
|
2 0.9400000 -0.5718404
|
|
3 0.2706000 -0.6835308
|
|
4 0.0366000 1.1136477
|
|
S 1
|
|
1 0.0155000 1.0000000
|
|
P 3
|
|
1 3.3000000 -0.0729417
|
|
2 0.5985000 0.6321782
|
|
3 0.2067000 0.4707426
|
|
P 2
|
|
1 0.1947000 -0.1250552
|
|
2 0.0318000 1.0438206
|
|
P 1
|
|
1 0.0124000 1.0000000
|
|
|
|
STRONTIUM
|
|
S 5
|
|
1 1.6480000 -0.9597960
|
|
2 1.0030000 1.0959010
|
|
3 0.3106000 0.7262240
|
|
4 0.1099000 -0.0147290
|
|
5 0.0292000 0.0082990
|
|
S 5
|
|
1 1.6480000 0.3193110
|
|
2 1.0030000 -0.3806250
|
|
3 0.3106000 -0.5262340
|
|
4 0.1099000 0.3650040
|
|
5 0.0292000 0.8976400
|
|
P 5
|
|
1 3.5520000 -0.0882600
|
|
2 0.6975000 0.6632840
|
|
3 0.2480000 0.4371580
|
|
4 0.0570000 0.0111860
|
|
5 0.0222000 0.0011910
|
|
|
|
YTTRIUM
|
|
S 3
|
|
1 1.7510000 -1.1617905
|
|
2 1.1430000 1.2958877
|
|
3 0.3581000 0.7115125
|
|
S 4
|
|
1 1.7510000 0.9683123
|
|
2 1.1430000 -1.1346367
|
|
3 0.3581000 -1.1914054
|
|
4 0.1058000 0.9281063
|
|
S 1
|
|
1 0.0318000 1.0000000
|
|
P 3
|
|
1 3.8840000 -0.0820601
|
|
2 0.7660000 0.6756413
|
|
3 0.2890000 0.4195482
|
|
P 2
|
|
1 0.2896000 -0.1501080
|
|
2 0.0629000 1.0686926
|
|
P 1
|
|
1 0.0223000 1.0000000
|
|
D 3
|
|
1 1.5230000 0.1074843
|
|
2 0.5634000 0.4563954
|
|
3 0.1834000 0.6039855
|
|
D 1
|
|
1 0.0569000 1.0000000
|
|
|
|
ZIRCONIUM
|
|
S 3
|
|
1 1.9760000 -0.9206745
|
|
2 1.1540000 1.0929033
|
|
3 0.3910000 0.6795621
|
|
S 4
|
|
1 1.9760000 0.7506060
|
|
2 1.1540000 -0.9810826
|
|
3 0.3910000 -1.0225151
|
|
4 0.1001000 1.0860038
|
|
S 1
|
|
1 0.0334000 1.0000000
|
|
P 3
|
|
1 4.1920000 -0.0942554
|
|
2 0.8764000 0.6783675
|
|
3 0.3263000 0.4246618
|
|
P 2
|
|
1 0.2972000 -0.1527401
|
|
2 0.0724000 1.0777185
|
|
P 1
|
|
1 0.0243000 1.0000000
|
|
D 3
|
|
1 2.2690000 0.0599741
|
|
2 0.7855000 0.4734158
|
|
3 0.2615000 0.6117178
|
|
D 1
|
|
1 0.0802000 1.0000000
|
|
|
|
NIOBIUM
|
|
S 3
|
|
1 2.1820000 -0.8846144
|
|
2 1.2090000 1.1033775
|
|
3 0.4165000 0.6298776
|
|
S 4
|
|
1 2.1820000 0.7790287
|
|
2 1.2090000 -1.0752788
|
|
3 0.4165000 -1.1506014
|
|
4 0.1454000 0.9969155
|
|
S 1
|
|
1 0.0392000 1.0000000
|
|
P 3
|
|
1 4.5190000 -0.0817303
|
|
2 0.9406000 0.6995115
|
|
3 0.3492000 0.3980996
|
|
P 2
|
|
1 0.4106000 -0.1212176
|
|
2 0.0752000 1.0480477
|
|
P 1
|
|
1 0.0247000 1.0000000
|
|
D 3
|
|
1 3.4660000 0.0315983
|
|
2 0.9938000 0.4834306
|
|
3 0.3350000 0.6164893
|
|
D 1
|
|
1 0.1024000 1.0000000
|
|
|
|
MOLYBDENUM
|
|
S 3
|
|
1 2.3610000 -0.9121760
|
|
2 1.3090000 1.1477453
|
|
3 0.4500000 0.6097109
|
|
S 4
|
|
1 2.3610000 0.8139259
|
|
2 1.3090000 -1.1360084
|
|
3 0.4500000 -1.1611592
|
|
4 0.1681000 1.0064786
|
|
S 1
|
|
1 0.0423000 1.0000000
|
|
P 3
|
|
1 4.8950000 -0.0908258
|
|
2 1.0440000 0.7042899
|
|
3 0.3877000 0.3973179
|
|
P 2
|
|
1 0.4995000 -0.1081945
|
|
2 0.0780000 1.0368093
|
|
P 1
|
|
1 0.0247000 1.0000000
|
|
D 3
|
|
1 2.9930000 0.0527063
|
|
2 1.0630000 0.5003907
|
|
3 0.3721000 0.5794024
|
|
D 1
|
|
1 0.1178000 1.0000000
|
|
|
|
TECHNETIUM
|
|
S 3
|
|
1 2.3420000 -1.4911782
|
|
2 1.6340000 1.6749043
|
|
3 0.5094000 0.6573006
|
|
S 4
|
|
1 2.3420000 1.3523997
|
|
2 1.6340000 -1.6216301
|
|
3 0.5094000 -1.1463770
|
|
4 0.1706000 0.9859190
|
|
S 1
|
|
1 0.0435000 1.0000000
|
|
P 3
|
|
1 5.2780000 -0.0995419
|
|
2 1.1560000 0.7081544
|
|
3 0.4302000 0.3973571
|
|
P 2
|
|
1 0.4767000 -0.0973127
|
|
2 0.0895000 1.0404862
|
|
P 1
|
|
1 0.0246000 1.0000000
|
|
D 3
|
|
1 4.6320000 0.0268724
|
|
2 1.2790000 0.5073089
|
|
3 0.4425000 0.5911381
|
|
D 1
|
|
1 0.1364000 1.0000000
|
|
|
|
RUTHENIUM
|
|
S 3
|
|
1 2.5650000 -1.0431056
|
|
2 1.5080000 1.3314786
|
|
3 0.5129000 0.5613065
|
|
S 4
|
|
1 2.5650000 0.8770128
|
|
2 1.5080000 -1.2634660
|
|
3 0.5129000 -0.8384987
|
|
4 0.1362000 1.0637773
|
|
S 1
|
|
1 0.0417000 1.0000000
|
|
P 3
|
|
1 4.8590000 -0.0945755
|
|
2 1.2190000 0.7434798
|
|
3 0.4413000 0.3668144
|
|
P 2
|
|
1 0.5725000 -0.0880864
|
|
2 0.0830000 1.0283970
|
|
P 1
|
|
1 0.0250000 1.0000000
|
|
D 3
|
|
1 4.1950000 0.0485729
|
|
2 1.3770000 0.5105223
|
|
3 0.4828000 0.5730028
|
|
D 1
|
|
1 0.1501000 1.0000000
|
|
|
|
RHODIUM
|
|
S 3
|
|
1 2.6460000 -1.3554084
|
|
2 1.7510000 1.6112233
|
|
3 0.5713000 0.5893814
|
|
S 4
|
|
1 2.6460000 1.1472137
|
|
2 1.7510000 -1.4943525
|
|
3 0.5713000 -0.8589704
|
|
4 0.1438000 1.0297241
|
|
S 1
|
|
1 0.0428000 1.0000000
|
|
P 3
|
|
1 5.4400000 -0.0987699
|
|
2 1.3290000 0.7433595
|
|
3 0.4845000 0.3668462
|
|
P 2
|
|
1 0.6595000 -0.0838056
|
|
2 0.0869000 1.0244841
|
|
P 1
|
|
1 0.0257000 1.0000000
|
|
D 3
|
|
1 3.6690000 0.0760059
|
|
2 1.4230000 0.5158852
|
|
3 0.5091000 0.5436585
|
|
D 1
|
|
1 0.1610000 1.0000000
|
|
|
|
PALLADIUM
|
|
S 3
|
|
1 2.7870000 -1.6102393
|
|
2 1.9650000 1.8489842
|
|
3 0.6243000 0.6037492
|
|
S 4
|
|
1 2.7870000 1.3540775
|
|
2 1.9650000 -1.6780848
|
|
3 0.6243000 -0.8559381
|
|
4 0.1496000 1.0200299
|
|
S 1
|
|
1 0.0436000 1.0000000
|
|
P 3
|
|
1 5.9990000 -0.1034910
|
|
2 1.4430000 0.7456952
|
|
3 0.5264000 0.3656494
|
|
P 2
|
|
1 0.7368000 0.0763285
|
|
2 0.0899000 0.9740065
|
|
P 1
|
|
1 0.0262000 1.0000000
|
|
D 3
|
|
1 6.0910000 0.0376146
|
|
2 1.7190000 0.5200479
|
|
3 0.6056000 0.5706071
|
|
D 1
|
|
1 0.1883000 1.0000000
|
|
|
|
SILVER
|
|
S 3
|
|
1 2.9500000 -1.7910564
|
|
2 2.1490000 2.0244570
|
|
3 0.6684000 0.6072839
|
|
S 4
|
|
1 2.9500000 1.0141125
|
|
2 2.1490000 -1.2413971
|
|
3 0.6684000 -1.2413971
|
|
4 0.0997000 1.1128375
|
|
S 1
|
|
1 0.0347000 1.0000000
|
|
P 3
|
|
1 6.5530000 -0.1079117
|
|
2 1.5650000 0.7403645
|
|
3 0.5748000 0.3721008
|
|
P 2
|
|
1 0.9085000 -0.0418371
|
|
2 0.0833000 1.0087586
|
|
P 1
|
|
1 0.0252000 1.0000000
|
|
D 3
|
|
1 3.3910000 0.1396938
|
|
2 1.5990000 0.4744421
|
|
3 0.6282000 0.5156311
|
|
D 1
|
|
1 0.2108000 1.0000000
|
|
|
|
CESIUM
|
|
S 3
|
|
1 0.8709000 -1.1604798
|
|
2 0.5393000 1.4198515
|
|
3 0.1724000 0.5872905
|
|
S 4
|
|
1 0.8709000 0.8237727
|
|
2 0.5393000 -1.0709181
|
|
3 0.1724000 -0.9085122
|
|
4 0.0393000 1.0774049
|
|
S 1
|
|
1 0.0151000 1.0000000
|
|
P 3
|
|
1 1.4680000 -0.1321033
|
|
2 0.4134000 0.6572410
|
|
3 0.1536000 0.4756456
|
|
P 2
|
|
1 0.1458000 -0.1680556
|
|
2 0.0279000 1.0665746
|
|
P 1
|
|
1 0.0113000 1.0000000
|
|
|
|
BARIUM
|
|
S 3
|
|
1 0.8699000 -2.2549747
|
|
2 0.6676000 2.5145786
|
|
3 0.1982000 0.5775184
|
|
S 4
|
|
1 0.8699000 2.0391383
|
|
2 0.6676000 -2.3717712
|
|
3 0.1982000 -1.2758006
|
|
4 0.0823000 1.1703346
|
|
S 1
|
|
1 0.0231000 1.0000000
|
|
P 3
|
|
1 1.6050000 -0.1626403
|
|
2 0.4790000 0.6971289
|
|
3 0.1818000 0.4505107
|
|
P 2
|
|
1 0.1804000 -0.2642537
|
|
2 0.0476000 1.1347212
|
|
P 1
|
|
1 0.0192000 1.0000000
|
|
|
|
LANTHANUM
|
|
S 3
|
|
1 0.9167000 -3.0240751
|
|
2 0.7427000 3.2971476
|
|
3 0.2237000 0.5513542
|
|
S 4
|
|
1 0.9167000 2.6910243
|
|
2 0.7427000 -3.0474363
|
|
3 0.2237000 -1.1030211
|
|
4 0.0792000 1.1941863
|
|
S 1
|
|
1 0.0239000 1.0000000
|
|
P 3
|
|
1 1.5540000 -0.1817168
|
|
2 0.5622000 0.6632226
|
|
3 0.2239000 0.5029782
|
|
P 2
|
|
1 0.2125000 -0.1968810
|
|
2 0.0483000 1.0907542
|
|
P 1
|
|
1 0.0179000 1.0000000
|
|
D 2
|
|
1 0.4524000 0.4468051
|
|
2 0.1602000 0.6543493
|
|
D 1
|
|
1 0.0531000 1.0000000
|
|
|
|
HAFNIUM
|
|
S 3
|
|
1 1.9500000 -1.2260850
|
|
2 1.1830000 1.5695074
|
|
3 0.3897000 0.4933412
|
|
S 4
|
|
1 1.9500000 1.0778382
|
|
2 1.1830000 -1.5010862
|
|
3 0.3897000 -1.1982175
|
|
4 0.1656000 1.2290296
|
|
S 1
|
|
1 0.0424000 1.0000000
|
|
P 3
|
|
1 1.9720000 -0.6323467
|
|
2 1.3540000 1.0465162
|
|
3 0.4134000 0.5801670
|
|
P 2
|
|
1 0.3427000 -0.1739178
|
|
2 0.0804000 1.0841644
|
|
P 1
|
|
1 0.0274000 1.0000000
|
|
D 2
|
|
1 0.8226000 0.4490405
|
|
2 0.2585000 0.6723891
|
|
D 1
|
|
1 0.0762000 1.0000000
|
|
|
|
TANTALUM
|
|
S 3
|
|
1 2.0440000 -1.3104779
|
|
2 1.2670000 1.6579925
|
|
3 0.4157000 0.4848337
|
|
S 4
|
|
1 2.0440000 1.1897315
|
|
2 1.2670000 -1.6650462
|
|
3 0.4157000 -1.0563335
|
|
4 0.1671000 1.1840652
|
|
S 1
|
|
1 0.0482000 1.0000000
|
|
P 3
|
|
1 2.5650000 -0.2917238
|
|
2 1.2290000 0.7570649
|
|
3 0.4244000 0.5240081
|
|
P 2
|
|
1 0.4360000 -0.1513014
|
|
2 0.0840000 1.0613123
|
|
P 1
|
|
1 0.0280000 1.0000000
|
|
D 2
|
|
1 0.8948000 0.4731072
|
|
2 0.2989000 0.6399200
|
|
D 1
|
|
1 0.0935000 1.0000000
|
|
|
|
TUNGSTEN
|
|
S 3
|
|
1 2.1370000 -1.3916151
|
|
2 1.3470000 1.7510261
|
|
3 0.4366000 0.4694647
|
|
S 4
|
|
1 2.1370000 1.2985088
|
|
2 1.3470000 -1.8102429
|
|
3 0.4366000 -1.0844531
|
|
4 0.1883000 1.2580618
|
|
S 1
|
|
1 0.0518000 1.0000000
|
|
P 3
|
|
1 3.0050000 -0.2405563
|
|
2 1.2280000 0.7364092
|
|
3 0.4415000 0.4881487
|
|
P 2
|
|
1 0.4010000 -0.1497499
|
|
2 0.0900000 1.0707463
|
|
P 1
|
|
1 0.0280000 1.0000000
|
|
D 2
|
|
1 0.9519000 0.4985265
|
|
2 0.3270000 0.6111110
|
|
D 1
|
|
1 0.1054000 1.0000000
|
|
|
|
RHENIUM
|
|
S 3
|
|
1 2.1850000 -1.6223730
|
|
2 1.4510000 1.9938647
|
|
3 0.4585000 0.4531166
|
|
S 4
|
|
1 2.1850000 1.5459752
|
|
2 1.4510000 -2.0758927
|
|
3 0.4585000 -1.1922396
|
|
4 0.2314000 1.2272864
|
|
S 1
|
|
1 0.0566000 1.0000000
|
|
P 3
|
|
1 3.3580000 -0.2318667
|
|
2 1.2710000 0.7458683
|
|
3 0.4644000 0.4632686
|
|
P 2
|
|
1 0.4960000 -0.1311370
|
|
2 0.0890000 1.0503671
|
|
P 1
|
|
1 0.0280000 1.0000000
|
|
D 2
|
|
1 1.1160000 0.4689888
|
|
2 0.4267000 0.6209591
|
|
D 1
|
|
1 0.1378000 1.0000000
|
|
|
|
OSMIUM
|
|
S 3
|
|
1 2.2220000 -1.6538036
|
|
2 1.4960000 2.0670297
|
|
3 0.4774000 0.4232017
|
|
S 4
|
|
1 2.2220000 1.6046968
|
|
2 1.4960000 -2.2120386
|
|
3 0.4774000 -1.1301209
|
|
4 0.2437000 1.2654553
|
|
S 1
|
|
1 0.0583000 1.0000000
|
|
P 3
|
|
1 2.5180000 -0.4177345
|
|
2 1.4600000 0.9434947
|
|
3 0.4923000 0.4672976
|
|
P 2
|
|
1 0.5100000 -0.1490279
|
|
2 0.0980000 1.0603616
|
|
P 1
|
|
1 0.0290000 1.0000000
|
|
D 2
|
|
1 1.1830000 0.4838470
|
|
2 0.4492000 0.6079573
|
|
D 1
|
|
1 0.1463000 1.0000000
|
|
|
|
IRIDIUM
|
|
S 3
|
|
1 2.3500000 -1.6784642
|
|
2 1.5820000 2.0952553
|
|
3 0.5018000 0.4162934
|
|
S 4
|
|
1 2.3500000 1.6464467
|
|
2 1.5820000 -2.2748150
|
|
3 0.5018000 -1.0494357
|
|
4 0.2500000 1.2167791
|
|
S 1
|
|
1 0.0598000 1.0000000
|
|
P 3
|
|
1 2.7920000 -0.3889212
|
|
2 1.5410000 0.9077516
|
|
3 0.5285000 0.4691443
|
|
P 2
|
|
1 0.5100000 -0.1170669
|
|
2 0.0980000 1.0489002
|
|
P 1
|
|
1 0.0290000 1.0000000
|
|
D 2
|
|
1 1.2400000 0.5087022
|
|
2 0.4647000 0.5862102
|
|
D 1
|
|
1 0.1529000 1.0000000
|
|
|
|
PLATINUM
|
|
S 3
|
|
1 2.5470000 -1.4739175
|
|
2 1.6140000 1.9115719
|
|
3 0.5167000 0.3922319
|
|
S 4
|
|
1 2.5470000 1.4388166
|
|
2 1.6140000 -2.0911821
|
|
3 0.5167000 -1.0921315
|
|
4 0.2651000 1.3426596
|
|
S 1
|
|
1 0.0580000 1.0000000
|
|
P 3
|
|
1 2.9110000 -0.5247438
|
|
2 1.8360000 0.9671884
|
|
3 0.5982000 0.5438632
|
|
P 2
|
|
1 0.6048000 -0.1061438
|
|
2 0.0996000 1.0383102
|
|
P 1
|
|
1 0.0290000 1.0000000
|
|
D 2
|
|
1 1.2430000 0.5598150
|
|
2 0.4271000 0.5511090
|
|
D 1
|
|
1 0.1370000 1.0000000
|
|
|
|
GOLD
|
|
S 3
|
|
1 2.8090000 -1.2021556
|
|
2 1.5950000 1.6741578
|
|
3 0.5327000 0.3526593
|
|
S 4
|
|
1 2.8090000 1.1608481
|
|
2 1.5950000 -1.8642846
|
|
3 0.5327000 -1.0356230
|
|
4 0.2826000 1.3064399
|
|
S 1
|
|
1 0.0598000 1.0000000
|
|
P 3
|
|
1 3.6840000 -0.2802681
|
|
2 1.6660000 0.7818398
|
|
3 0.5989000 0.4804776
|
|
P 2
|
|
1 0.6838000 -0.0952078
|
|
2 0.0977000 1.0299147
|
|
P 1
|
|
1 0.0279000 1.0000000
|
|
D 2
|
|
1 1.2870000 0.5844273
|
|
2 0.4335000 0.5298161
|
|
D 1
|
|
1 0.1396000 1.0000000
|
|
|
|
|