mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-12-27 13:53:29 +01:00
80 lines
2.8 KiB
Plaintext
80 lines
2.8 KiB
Plaintext
POTASSIUM
|
|
S 6
|
|
1 31478.7000000 0.00398387
|
|
2 4726.8900000 0.03050180
|
|
3 1075.4300000 0.15073800
|
|
4 303.3980000 0.51912900
|
|
5 98.3271000 1.03670000
|
|
6 33.6362000 0.76399000
|
|
S 3
|
|
1 65.6392000 -0.2824260
|
|
2 7.3162600 1.6914900
|
|
3 2.8902600 1.2965300
|
|
S 3
|
|
1 4.5459700 -0.00763436
|
|
2 0.7040410 0.0256357
|
|
3 0.2826690 0.0166069
|
|
S 1
|
|
1 0.0290582 1.0000000
|
|
S 1
|
|
1 0.0121116 1.0000000
|
|
P 5
|
|
1 361.2250000 0.0209065
|
|
2 84.6702000 0.1504360
|
|
3 26.4691000 0.5544010
|
|
4 9.2658100 1.0409000
|
|
5 3.3423400 0.6782530
|
|
P 3
|
|
1 1.6354600 0.2409020
|
|
2 0.8319680 0.2994240
|
|
3 0.4368420 0.4460790
|
|
P 1
|
|
1 0.1798370 1.0000000
|
|
D 3
|
|
1 10.0700000 0.0480790
|
|
2 2.5580000 0.2162930
|
|
3 0.7968000 0.4236910
|
|
D 1
|
|
1 0.2350000 1.0000000
|
|
|
|
CALCIUM
|
|
S 6
|
|
1 35138.7000000 0.00394825
|
|
2 5276.4100000 0.0302342
|
|
3 1200.4700000 0.1495200
|
|
4 338.7180000 0.5159730
|
|
5 109.8540000 1.0339500
|
|
6 37.6089000 0.7693790
|
|
S 3
|
|
1 73.1080000 -0.2826850
|
|
2 8.2407700 1.6796100
|
|
3 3.2959800 1.2803800
|
|
S 3
|
|
1 5.2341800 -0.00768686
|
|
2 0.8418720 0.02538240
|
|
3 0.3651030 0.01651220
|
|
S 1
|
|
1 0.0512224 1.0000000
|
|
S 1
|
|
1 0.0198250 1.0000000
|
|
P 5
|
|
1 413.1130000 0.0203270
|
|
2 96.9358000 0.1473030
|
|
3 30.3722000 0.5488720
|
|
4 10.6848000 1.0440700
|
|
5 3.8821300 0.6865350
|
|
P 3
|
|
1 1.9099100 0.2686680
|
|
2 0.9793250 0.2901870
|
|
3 0.5497690 0.4429810
|
|
P 1
|
|
1 0.2312330 1.0000000
|
|
D 3
|
|
1 10.9700000 0.0600080
|
|
2 2.7680000 0.2610100
|
|
3 0.8281000 0.5086920
|
|
D 1
|
|
1 0.2160000 1.0000000
|
|
|
|
|