mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-11-18 11:23:38 +01:00
130 lines
4.9 KiB
Plaintext
130 lines
4.9 KiB
Plaintext
TITANIUM
|
|
S 17
|
|
1 5309148.1000000 0.0000040
|
|
2 794951.6500000 0.0000340
|
|
3 180907.5600000 0.0001800
|
|
4 51241.9330000 0.0007590
|
|
5 16717.4490000 0.0027570
|
|
6 6035.2659000 0.0089250
|
|
7 2353.8571000 0.0260620
|
|
8 976.1464600 0.0681900
|
|
9 425.4356300 0.1543490
|
|
10 193.0467700 0.2802820
|
|
11 90.4393690 0.3484000
|
|
12 43.0207130 0.2217050
|
|
13 19.1905550 0.0400180
|
|
14 9.4257160 -0.0021380
|
|
15 4.6052430 0.0017220
|
|
16 2.0378340 -0.0008020
|
|
17 0.9800320 0.0003560
|
|
S 17
|
|
1 5309148.1000000 -0.0000010
|
|
2 794951.6500000 -0.0000100
|
|
3 180907.5600000 -0.0000530
|
|
4 51241.9330000 -0.0002240
|
|
5 16717.4490000 -0.0008180
|
|
6 6035.2659000 -0.0026590
|
|
7 2353.8571000 -0.0078790
|
|
8 976.1464600 -0.0212220
|
|
9 425.4356300 -0.0514220
|
|
10 193.0467700 -0.1067020
|
|
11 90.4393690 -0.1746860
|
|
12 43.0207130 -0.1560410
|
|
13 19.1905550 0.1293230
|
|
14 9.4257160 0.5384640
|
|
15 4.6052430 0.4357080
|
|
16 2.0378340 0.0681170
|
|
17 0.9800320 -0.0024360
|
|
S 16
|
|
1 794951.6500000 0.0000040
|
|
2 180907.5600000 0.0000180
|
|
3 51241.9330000 0.0000810
|
|
4 16717.4490000 0.0002890
|
|
5 6035.2659000 0.0009510
|
|
6 2353.8571000 0.0028120
|
|
7 976.1464600 0.0076020
|
|
8 425.4356300 0.0185920
|
|
9 193.0467700 0.0390850
|
|
10 90.4393690 0.0664980
|
|
11 43.0207130 0.0620460
|
|
12 19.1905550 -0.0562490
|
|
13 9.4257160 -0.3180890
|
|
14 4.6052430 -0.4058270
|
|
15 2.0378340 0.1704320
|
|
16 0.9800320 0.6975960
|
|
S 1
|
|
1 0.4456250 1.0000000
|
|
S 1
|
|
1 0.1064170 1.0000000
|
|
S 1
|
|
1 0.0525710 1.0000000
|
|
S 1
|
|
1 0.0243570 1.0000000
|
|
P 10
|
|
1 7999.8045000 0.0000880
|
|
2 1894.4515000 0.0007770
|
|
3 615.1874800 0.0044040
|
|
4 234.9274100 0.0186640
|
|
5 99.2137530 0.0620720
|
|
6 44.9161400 0.1590770
|
|
7 21.2497170 0.2969700
|
|
8 10.3304580 0.3688010
|
|
9 5.1049800 0.2348260
|
|
10 2.4406900 0.0493560
|
|
P 10
|
|
1 7999.8045000 -0.0000290
|
|
2 1894.4515000 -0.0002610
|
|
3 615.1874800 -0.0014820
|
|
4 234.9274100 -0.0063570
|
|
5 99.2137530 -0.0214770
|
|
6 44.9161400 -0.0571340
|
|
7 21.2497170 -0.1104660
|
|
8 10.3304580 -0.1481470
|
|
9 5.1049800 -0.0554260
|
|
10 2.4406900 0.2455620
|
|
P 1
|
|
1 1.1512050 1.0000000
|
|
P 1
|
|
1 0.5295560 1.0000000
|
|
P 1
|
|
1 0.2211900 1.0000000
|
|
P 1
|
|
1 0.0880000 1.0000000
|
|
P 1
|
|
1 0.0350000 1.0000000
|
|
P 1
|
|
1 0.0140000 1.0000000
|
|
D 4
|
|
1 89.5692010 0.0019660
|
|
2 26.5843560 0.0147190
|
|
3 9.7710320 0.0582080
|
|
4 3.9619330 0.1581680
|
|
D 1
|
|
1 1.6892690 1.0000000
|
|
D 1
|
|
1 0.7156710 1.0000000
|
|
D 1
|
|
1 0.2938110 1.0000000
|
|
D 1
|
|
1 0.1108310 1.0000000
|
|
D 1
|
|
1 0.0440000 1.0000000
|
|
F 1
|
|
1 3.5544460 1.0000000
|
|
F 1
|
|
1 1.4872160 1.0000000
|
|
F 1
|
|
1 0.6222660 1.0000000
|
|
F 1
|
|
1 0.2603620 1.0000000
|
|
G 1
|
|
1 3.4465200 1.0000000
|
|
G 1
|
|
1 1.4920000 1.0000000
|
|
G 1
|
|
1 0.6458870 1.0000000
|
|
H 1
|
|
1 0.7500000 1.0000000
|
|
|
|
|