mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-11-18 19:32:20 +01:00
602 lines
23 KiB
Plaintext
602 lines
23 KiB
Plaintext
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YTTRIUM
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S 7
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1 29.2935000 0.0066660
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2 16.6827000 -0.0497340
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3 10.4235000 0.1315590
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4 3.0952600 -0.5243820
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5 0.7079710 0.7863790
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6 0.3225670 0.4639580
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7 0.0690850 0.0204860
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S 7
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1 29.2935000 -0.0013580
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2 16.6827000 0.0123920
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3 10.4235000 -0.0375720
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4 3.0952600 0.1741090
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5 0.7079710 -0.3385090
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6 0.3225670 -0.3354170
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7 0.0690850 0.6581470
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S 7
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1 29.2935000 0.0112420
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2 16.6827000 -0.0574010
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3 10.4235000 0.1106480
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4 3.0952600 -0.3769430
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5 0.7079710 1.2026360
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6 0.3225670 -0.4875820
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7 0.0690850 -1.8636390
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S 1
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1 0.0274150 1.0000000
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S 1
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1 0.2984000 1.0000000
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P 6
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1 9.0271500 0.0203960
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2 4.0242700 -0.1536620
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3 0.9906740 0.4320820
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4 0.4727970 0.4983480
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5 0.2197340 0.1957420
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6 0.0800880 0.0140830
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P 6
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1 9.0271500 -0.0056190
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2 4.0242700 0.0465110
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3 0.9906740 -0.1495270
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4 0.4727970 -0.2243370
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5 0.2197340 -0.0114700
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6 0.0800880 0.6364970
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P 6
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1 9.0271500 0.0111310
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2 4.0242700 -0.0963010
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3 0.9906740 0.2986850
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4 0.4727970 0.8892190
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5 0.2197340 -1.4854780
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6 0.0800880 -0.1131120
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P 1
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1 0.0306400 1.0000000
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P 1
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1 0.3327000 1.0000000
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D 5
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1 4.3045000 -0.0043910
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2 1.3201900 0.1196820
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3 0.5614050 0.2962740
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4 0.2267020 0.3908730
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5 0.0879490 0.3539610
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D 5
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1 4.3045000 0.0044330
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2 1.3201900 -0.1499100
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3 0.5614050 -0.3732930
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4 0.2267020 -0.3129870
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5 0.0879490 0.4218970
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D 1
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1 0.0323050 1.0000000
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D 1
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1 0.9830000 1.0000000
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F 1
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1 0.8499000 1.0000000
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F 1
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1 0.2028000 1.0000000
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ZIRCONIUM
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S 7
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1 53.4460000 0.0014860
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2 17.0981000 -0.0365920
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3 10.6875000 0.1321550
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4 3.3913400 -0.5464540
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5 0.7884750 0.8022910
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6 0.3599820 0.4583040
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7 0.0777920 0.0203880
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S 7
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1 53.4460000 -0.0003080
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2 17.0981000 0.0096310
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3 10.6875000 -0.0390430
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4 3.3913400 0.1847170
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5 0.7884750 -0.3584690
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6 0.3599820 -0.3208280
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7 0.0777920 0.6560480
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S 7
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1 53.4460000 0.0028110
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2 17.0981000 -0.0412920
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3 10.6875000 0.1148910
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4 3.3913400 -0.4348090
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5 0.7884750 1.4174320
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6 0.3599820 -0.7286190
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7 0.0777920 -1.6769590
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S 1
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1 0.0302340 1.0000000
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S 1
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1 0.2998000 1.0000000
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P 6
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1 9.9011600 0.0214360
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2 4.4181900 -0.1604130
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3 1.0931000 0.4543260
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4 0.5187860 0.4991190
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5 0.2363630 0.1777830
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6 0.0847070 0.0104040
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P 6
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1 9.9011600 -0.0058310
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2 4.4181900 0.0481520
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3 1.0931000 -0.1600800
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4 0.5187860 -0.2201350
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5 0.2363630 0.0355150
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6 0.0847070 0.6181780
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P 6
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1 9.9011600 -0.0078290
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2 4.4181900 0.0660080
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3 1.0931000 -0.2113740
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4 0.5187860 -0.3575490
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5 0.2363630 0.1703870
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6 0.0847070 0.8518400
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P 1
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1 0.0311380 1.0000000
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P 1
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1 0.2476000 1.0000000
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D 5
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1 4.3948700 -0.0082920
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2 1.5708900 0.1278490
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3 0.6923540 0.3219090
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4 0.2904140 0.3998190
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5 0.1158780 0.3194760
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D 5
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1 4.3948700 0.0084760
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2 1.5708900 -0.1579890
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3 0.6923540 -0.3979000
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4 0.2904140 -0.2555990
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5 0.1158780 0.4914180
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D 1
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1 0.0429250 1.0000000
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D 1
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1 1.1606000 1.0000000
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F 1
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1 1.2022000 1.0000000
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F 1
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1 0.3272000 1.0000000
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NIOBIUM
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S 7
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1 80.8096000 0.0008890
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2 17.9220000 -0.0347930
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3 11.2050000 0.1389100
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4 3.6990100 -0.5655680
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5 0.8712090 0.8147210
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6 0.3974440 0.4547970
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7 0.0854690 0.0200510
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S 7
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1 80.8096000 -0.0002000
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2 17.9220000 0.0093020
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3 11.2050000 -0.0414910
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4 3.6990100 0.1923710
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5 0.8712090 -0.3713520
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6 0.3974440 -0.3068350
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7 0.0854690 0.6546160
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S 7
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1 80.8096000 0.0015640
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2 17.9220000 -0.0382840
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3 11.2050000 0.1209450
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4 3.6990100 -0.4647790
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5 0.8712090 1.5031600
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6 0.3974440 -0.8262330
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7 0.0854690 -1.5845850
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S 1
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1 0.0326640 1.0000000
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S 1
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1 0.3119000 1.0000000
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P 6
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1 10.6457000 0.0234360
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2 4.8235100 -0.1683110
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3 1.2030900 0.4693810
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4 0.5695080 0.4980520
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5 0.2569700 0.1675400
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6 0.0929460 0.0087660
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P 6
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1 10.6457000 -0.0064960
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2 4.8235100 0.0513810
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3 1.2030900 -0.1706080
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4 0.5695080 -0.2198720
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5 0.2569700 0.0561670
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6 0.0929460 0.6165950
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P 6
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1 10.6457000 -0.0091300
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2 4.8235100 0.0732300
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3 1.2030900 -0.2370360
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4 0.5695080 -0.3685640
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5 0.2569700 0.2364390
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6 0.0929460 0.8267330
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P 1
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1 0.0338800 1.0000000
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P 1
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1 0.3413000 1.0000000
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D 5
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1 4.5456300 -0.0104650
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2 1.8272300 0.1305530
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3 0.8257640 0.3347580
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4 0.3551560 0.4020270
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5 0.1447240 0.3008350
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D 5
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1 4.5456300 0.0105280
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2 1.8272300 -0.1615000
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3 0.8257640 -0.4113720
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4 0.3551560 -0.2117820
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5 0.1447240 0.4861590
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D 1
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1 0.0543230 1.0000000
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D 1
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1 1.3397000 1.0000000
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F 1
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1 1.5856000 1.0000000
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F 1
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1 0.4690000 1.0000000
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MOLYBDENUM
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S 7
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1 106.9780000 0.0007350
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2 18.8824000 -0.0350900
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3 11.8077000 0.1473480
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4 4.0211800 -0.5833630
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5 0.9568160 0.8256350
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6 0.4356920 0.4523110
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7 0.0925180 0.0190550
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S 7
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1 106.9780000 -0.0001760
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2 18.8824000 0.0093320
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3 11.8077000 -0.0438110
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4 4.0211800 0.1972320
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5 0.9568160 -0.3773110
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6 0.4356920 -0.2939670
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7 0.0925180 0.6498330
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S 7
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1 106.9780000 0.0011660
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2 18.8824000 -0.0376070
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3 11.8077000 0.1259800
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4 4.0211800 -0.4752370
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5 0.9568160 1.4989830
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6 0.4356920 -0.8223450
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7 0.0925180 -1.5606240
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S 1
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1 0.0348540 1.0000000
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S 1
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1 0.3328000 1.0000000
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P 6
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1 11.4118000 0.0253450
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2 5.2453500 -0.1752130
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3 1.3188400 0.4812720
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4 0.6229830 0.4972610
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5 0.2791080 0.1595550
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6 0.1005260 0.0075430
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P 6
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1 11.4118000 -0.0070220
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2 5.2453500 0.0533390
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3 1.3188400 -0.1756430
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4 0.6229830 -0.2162130
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5 0.2791080 0.0679580
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6 0.1005260 0.6128160
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P 6
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1 11.4118000 -0.0104200
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2 5.2453500 0.0798670
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3 1.3188400 -0.2629000
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4 0.6229830 -0.3651840
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5 0.2791080 0.2866730
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6 0.1005260 0.8002580
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P 1
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1 0.0362770 1.0000000
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P 1
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1 0.4371000 1.0000000
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D 5
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1 5.2576100 -0.0147610
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2 2.1046200 0.1319820
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3 0.9582010 0.3470860
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4 0.4140470 0.4054710
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5 0.1684500 0.2880580
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D 5
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1 5.2576100 0.0154390
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2 2.1046200 -0.1606210
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3 0.9582010 -0.4232290
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4 0.4140470 -0.1923390
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5 0.1684500 0.5314590
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D 1
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1 0.0623420 1.0000000
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D 1
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1 1.5039000 1.0000000
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F 1
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|
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1 1.9502000 1.0000000
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F 1
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1 0.6007000 1.0000000
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TECHNETIUM
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S 7
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1 132.6560000 0.0006860
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2 19.8986000 -0.0360010
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3 12.4450000 0.1564650
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4 4.3605000 -0.5995730
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5 1.0443600 0.8357100
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6 0.4741590 0.4490550
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7 0.0987360 0.0183780
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S 7
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|
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1 132.6560000 -0.0001680
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2 19.8986000 0.0093110
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|
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3 12.4450000 -0.0455350
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4 4.3605000 0.1986020
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5 1.0443600 -0.3749740
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|
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6 0.4741590 -0.2817600
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|
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7 0.0987360 0.6329980
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S 7
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|
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1 132.6560000 0.0009800
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2 19.8986000 -0.0378410
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|
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3 12.4450000 0.1317670
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4 4.3605000 -0.4834180
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5 1.0443600 1.4848540
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6 0.4741590 -0.8047310
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7 0.0987360 -1.5511910
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S 1
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|
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1 0.0367360 1.0000000
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S 1
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1 1.8559000 1.0000000
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P 6
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|
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1 12.1789000 0.0273140
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2 5.6848400 -0.1814030
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3 1.4398300 0.4908910
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4 0.6789090 0.4965410
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5 0.3025150 0.1532990
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6 0.1073070 0.0067000
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P 6
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1 12.1789000 -0.0074300
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2 5.6848400 0.0541370
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3 1.4398300 -0.1762270
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4 0.6789090 -0.2096540
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5 0.3025150 0.0734980
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6 0.1073070 0.6070490
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P 6
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1 12.1789000 -0.0116300
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2 5.6848400 0.0854050
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3 1.4398300 -0.2844050
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4 0.6789090 -0.3578760
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5 0.3025150 0.3260330
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6 0.1073070 0.7801240
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P 1
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|
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1 0.0381770 1.0000000
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P 1
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|
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1 1.8254000 1.0000000
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D 5
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|
|
1 5.7601300 -0.0164110
|
||
|
|
2 2.3642400 0.1344070
|
||
|
|
3 1.0887100 0.3547260
|
||
|
|
4 0.4740600 0.4044790
|
||
|
|
5 0.1936070 0.2788770
|
||
|
|
D 5
|
||
|
|
1 5.7601300 0.0169910
|
||
|
|
2 2.3642400 -0.1548960
|
||
|
|
3 1.0887100 -0.4281920
|
||
|
|
4 0.4740600 -0.1789920
|
||
|
|
5 0.1936070 0.5346560
|
||
|
|
D 1
|
||
|
|
1 0.0714600 1.0000000
|
||
|
|
D 1
|
||
|
|
1 1.7067000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 2.2992000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.7228000 1.0000000
|
||
|
|
|
||
|
|
RUTHENIUM
|
||
|
|
S 7
|
||
|
|
1 159.3720000 0.0006730
|
||
|
|
2 20.9016000 -0.0371610
|
||
|
|
3 13.0741000 0.1665170
|
||
|
|
4 4.7147400 -0.6159540
|
||
|
|
5 1.1361200 0.8428300
|
||
|
|
6 0.5154640 0.4477630
|
||
|
|
7 0.1067670 0.0184450
|
||
|
|
S 7
|
||
|
|
1 159.3720000 -0.0001690
|
||
|
|
2 20.9016000 0.0093920
|
||
|
|
3 13.0741000 -0.0477130
|
||
|
|
4 4.7147400 0.2011130
|
||
|
|
5 1.1361200 -0.3734210
|
||
|
|
6 0.5154640 -0.2738590
|
||
|
|
7 0.1067670 0.6093840
|
||
|
|
S 7
|
||
|
|
1 159.3720000 0.0008950
|
||
|
|
2 20.9016000 -0.0396350
|
||
|
|
3 13.0741000 0.1442430
|
||
|
|
4 4.7147400 -0.5192870
|
||
|
|
5 1.1361200 1.5854040
|
||
|
|
6 0.5154640 -0.9082030
|
||
|
|
7 0.1067670 -1.4720020
|
||
|
|
S 1
|
||
|
|
1 0.0392180 1.0000000
|
||
|
|
S 1
|
||
|
|
1 2.0049000 1.0000000
|
||
|
|
P 6
|
||
|
|
1 12.8738000 0.0299680
|
||
|
|
2 6.1475000 -0.1879300
|
||
|
|
3 1.5652400 0.4999900
|
||
|
|
4 0.7361940 0.4957320
|
||
|
|
5 0.3263170 0.1475150
|
||
|
|
6 0.1124070 0.0060880
|
||
|
|
P 6
|
||
|
|
1 12.8738000 -0.0078010
|
||
|
|
2 6.1475000 0.0536560
|
||
|
|
3 1.5652400 -0.1719400
|
||
|
|
4 0.7361940 -0.1991700
|
||
|
|
5 0.3263170 0.0744110
|
||
|
|
6 0.1124070 0.5971370
|
||
|
|
P 6
|
||
|
|
1 12.8738000 -0.0135020
|
||
|
|
2 6.1475000 0.0937330
|
||
|
|
3 1.5652400 -0.3159100
|
||
|
|
4 0.7361940 -0.3618000
|
||
|
|
5 0.3263170 0.4008770
|
||
|
|
6 0.1124070 0.7537660
|
||
|
|
P 1
|
||
|
|
1 0.0391720 1.0000000
|
||
|
|
P 1
|
||
|
|
1 2.0058000 1.0000000
|
||
|
|
D 5
|
||
|
|
1 6.2126500 -0.0245970
|
||
|
|
2 2.7853900 0.1273340
|
||
|
|
3 1.2685100 0.3570810
|
||
|
|
4 0.5517900 0.4082070
|
||
|
|
5 0.2247310 0.2812400
|
||
|
|
D 5
|
||
|
|
1 6.2126500 0.0261160
|
||
|
|
2 2.7853900 -0.1459400
|
||
|
|
3 1.2685100 -0.4425210
|
||
|
|
4 0.5517900 -0.1690200
|
||
|
|
5 0.2247310 0.5052370
|
||
|
|
D 1
|
||
|
|
1 0.0824110 1.0000000
|
||
|
|
D 1
|
||
|
|
1 1.9189000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 2.6573000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.8500000 1.0000000
|
||
|
|
|
||
|
|
RHODIUM
|
||
|
|
S 7
|
||
|
|
1 184.6660000 0.0006920
|
||
|
|
2 21.9974000 -0.0383930
|
||
|
|
3 13.7616000 0.1760190
|
||
|
|
4 5.0872000 -0.6299250
|
||
|
|
5 1.2294000 0.8495440
|
||
|
|
6 0.5568140 0.4457290
|
||
|
|
7 0.1140670 0.0182040
|
||
|
|
S 7
|
||
|
|
1 184.6660000 -0.0001780
|
||
|
|
2 21.9974000 0.0094560
|
||
|
|
3 13.7616000 -0.0494720
|
||
|
|
4 5.0872000 0.2018670
|
||
|
|
5 1.2294000 -0.3698090
|
||
|
|
6 0.5568140 -0.2653310
|
||
|
|
7 0.1140670 0.5891540
|
||
|
|
S 7
|
||
|
|
1 184.6660000 0.0008370
|
||
|
|
2 21.9974000 -0.0402860
|
||
|
|
3 13.7616000 0.1506490
|
||
|
|
4 5.0872000 -0.5268510
|
||
|
|
5 1.2294000 1.5723820
|
||
|
|
6 0.5568140 -0.8876430
|
||
|
|
7 0.1140670 -1.4709450
|
||
|
|
S 1
|
||
|
|
1 0.0414150 1.0000000
|
||
|
|
S 1
|
||
|
|
1 2.1539000 1.0000000
|
||
|
|
P 6
|
||
|
|
1 13.6985000 0.0318210
|
||
|
|
2 6.6247600 -0.1930280
|
||
|
|
3 1.6961300 0.5062420
|
||
|
|
4 0.7973510 0.4949020
|
||
|
|
5 0.3520340 0.1440300
|
||
|
|
6 0.1233420 0.0056080
|
||
|
|
P 6
|
||
|
|
1 13.6985000 -0.0085830
|
||
|
|
2 6.6247600 0.0568110
|
||
|
|
3 1.6961300 -0.1801720
|
||
|
|
4 0.7973510 -0.2034110
|
||
|
|
5 0.3520340 0.0848180
|
||
|
|
6 0.1233420 0.6010570
|
||
|
|
P 6
|
||
|
|
1 13.6985000 -0.0151640
|
||
|
|
2 6.6247600 0.1011250
|
||
|
|
3 1.6961300 -0.3456410
|
||
|
|
4 0.7973510 -0.3454850
|
||
|
|
5 0.3520340 0.4221020
|
||
|
|
6 0.1233420 0.7304790
|
||
|
|
P 1
|
||
|
|
1 0.0431300 1.0000000
|
||
|
|
P 1
|
||
|
|
1 2.2173000 1.0000000
|
||
|
|
D 5
|
||
|
|
1 18.7370000 0.0064810
|
||
|
|
2 11.7046000 -0.0139420
|
||
|
|
3 2.2555800 0.2506820
|
||
|
|
4 0.9494110 0.4511110
|
||
|
|
5 0.3661640 0.3839990
|
||
|
|
D 5
|
||
|
|
1 18.7370000 -0.0075900
|
||
|
|
2 11.7046000 0.0162940
|
||
|
|
3 2.2555800 -0.3347730
|
||
|
|
4 0.9494110 -0.4463960
|
||
|
|
5 0.3661640 0.3299670
|
||
|
|
D 1
|
||
|
|
1 0.1239770 1.0000000
|
||
|
|
D 1
|
||
|
|
1 2.2449000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 3.0640000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.9936000 1.0000000
|
||
|
|
|
||
|
|
PALLADIUM
|
||
|
|
S 7
|
||
|
|
1 208.1230000 0.0007270
|
||
|
|
2 22.8525000 -0.0409280
|
||
|
|
3 14.2986000 0.1922850
|
||
|
|
4 5.4880100 -0.6501040
|
||
|
|
5 1.3253200 0.8565530
|
||
|
|
6 0.5989570 0.4438760
|
||
|
|
7 0.1209830 0.0178500
|
||
|
|
S 7
|
||
|
|
1 208.1230000 -0.0001890
|
||
|
|
2 22.8525000 0.0098180
|
||
|
|
3 14.2986000 -0.0528760
|
||
|
|
4 5.4880100 0.2035110
|
||
|
|
5 1.3253200 -0.3639350
|
||
|
|
6 0.5989570 -0.2582190
|
||
|
|
7 0.1209830 0.5704320
|
||
|
|
S 7
|
||
|
|
1 208.1230000 0.0008000
|
||
|
|
2 22.8525000 -0.0417810
|
||
|
|
3 14.2986000 0.1593620
|
||
|
|
4 5.4880100 -0.5231230
|
||
|
|
5 1.3253200 1.4917730
|
||
|
|
6 0.5989570 -0.7916960
|
||
|
|
7 0.1209830 -1.5172540
|
||
|
|
S 1
|
||
|
|
1 0.0434590 1.0000000
|
||
|
|
S 1
|
||
|
|
1 2.2956000 1.0000000
|
||
|
|
P 6
|
||
|
|
1 14.0509000 0.0379970
|
||
|
|
2 7.1390600 -0.2040770
|
||
|
|
3 1.8300700 0.5137680
|
||
|
|
4 0.8583350 0.4942400
|
||
|
|
5 0.3772750 0.1402910
|
||
|
|
6 0.1256960 0.0051570
|
||
|
|
P 6
|
||
|
|
1 14.0509000 -0.0093130
|
||
|
|
2 7.1390600 0.0546710
|
||
|
|
3 1.8300700 -0.1661610
|
||
|
|
4 0.8583350 -0.1858420
|
||
|
|
5 0.3772750 0.0731610
|
||
|
|
6 0.1256960 0.5861720
|
||
|
|
P 6
|
||
|
|
1 14.0509000 -0.0186030
|
||
|
|
2 7.1390600 0.1098650
|
||
|
|
3 1.8300700 -0.3664000
|
||
|
|
4 0.8583350 -0.3473160
|
||
|
|
5 0.3772750 0.4820340
|
||
|
|
6 0.1256960 0.7096400
|
||
|
|
P 1
|
||
|
|
1 0.0426590 1.0000000
|
||
|
|
P 1
|
||
|
|
1 2.3900000 1.0000000
|
||
|
|
D 5
|
||
|
|
1 19.2539000 0.0066240
|
||
|
|
2 10.5848000 -0.0184110
|
||
|
|
3 2.4561900 0.2633960
|
||
|
|
4 1.0352900 0.4524480
|
||
|
|
5 0.4020080 0.3758330
|
||
|
|
D 5
|
||
|
|
1 19.2539000 -0.0078390
|
||
|
|
2 10.5848000 0.0218380
|
||
|
|
3 2.4561900 -0.3691550
|
||
|
|
4 1.0352900 -0.4309590
|
||
|
|
5 0.4020080 0.3749650
|
||
|
|
D 1
|
||
|
|
1 0.1370570 1.0000000
|
||
|
|
D 1
|
||
|
|
1 2.4699000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 3.4821000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 1.1484000 1.0000000
|
||
|
|
|
||
|
|
|