mirror of
https://github.com/pfloos/quack
synced 2024-11-05 05:33:50 +01:00
812 lines
28 KiB
Plaintext
812 lines
28 KiB
Plaintext
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SCANDIUM
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S 3
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1 0.3717000000E+01 -0.3926292000E+00
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2 0.1097000000E+01 0.7147339000E+00
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3 0.4164000000E+00 0.5509400000E+00
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S 4
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1 0.3717000000E+01 0.2197446000E+00
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2 0.1097000000E+01 -0.4546067000E+00
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3 0.4164000000E+00 -0.6938181000E+00
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4 0.7610000000E-01 0.1126017000E+01
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S 1
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1 0.2840000000E-01 1.0000000
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P 3
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1 0.1040000000E+02 -0.4926150000E-01
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2 0.1311000000E+01 0.6071965000E+00
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3 0.4266000000E+00 0.4917582000E+00
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P 4
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1 0.1040000000E+02 0.1108427000E-01
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2 0.1311000000E+01 -0.1659071800E+00
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3 0.4266000000E+00 -0.5004602000E-01
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4 0.4700000000E-01 0.9630524400E+00
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P 1
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1 0.1400000000E-01 1.0000000
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D 4
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1 0.1513000000E+02 0.3792910000E-01
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2 0.4205000000E+01 0.1738360000E+00
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3 0.1303000000E+01 0.4268057000E+00
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4 0.3680000000E+00 0.6238539000E+00
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D 1
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1 0.8120000000E-01 1.0000000
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TITANIUM
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S 3
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1 0.4372000000E+01 -0.3637098000E+00
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2 0.1098000000E+01 0.8184533000E+00
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3 0.4178000000E+00 0.4184526000E+00
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S 4
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1 0.4372000000E+01 0.2049027000E+00
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2 0.1098000000E+01 -0.5575413000E+00
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3 0.4178000000E+00 -0.5893652000E+00
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4 0.8720000000E-01 0.1145166000E+01
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S 1
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1 0.3140000000E-01 1.0000000
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P 3
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1 0.1252000000E+02 -0.4569080000E-01
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2 0.1491000000E+01 0.6203313000E+00
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3 0.4859000000E+00 0.4765329000E+00
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P 4
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1 0.1252000000E+02 0.1011601000E-01
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2 0.1491000000E+01 -0.1679839800E+00
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3 0.4859000000E+00 -0.3888326000E-01
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4 0.5300000000E-01 0.9502233100E+00
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P 1
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1 0.1600000000E-01 1.0000000
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D 4
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1 0.2021000000E+02 0.3416820000E-01
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2 0.5495000000E+01 0.1710006000E+00
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3 0.1699000000E+01 0.4405849000E+00
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4 0.4840000000E+00 0.6114246000E+00
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D 1
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1 0.1157000000E+00 1.0000000
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VANADIUM
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S 3
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1 0.4590000000E+01 -0.4277302000E+00
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2 0.1493000000E+01 0.7069691000E+00
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3 0.5570000000E+00 0.5895813000E+00
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S 4
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1 0.4590000000E+01 0.2501081000E+00
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2 0.1493000000E+01 -0.4697777000E+00
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3 0.5570000000E+00 -0.7129415000E+00
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4 0.9750000000E-01 0.1100657000E+01
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S 1
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1 0.3420000000E-01 1.0000000
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P 3
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1 0.1376000000E+02 -0.4823120000E-01
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2 0.1712000000E+01 0.6141161000E+00
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3 0.5587000000E+00 0.4838342000E+00
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P 4
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1 0.1376000000E+02 0.9934190000E-02
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2 0.1712000000E+01 -0.1551097000E+00
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3 0.5587000000E+00 -0.3760528000E-01
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4 0.5900000000E-01 0.9345457200E+00
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P 1
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1 0.1800000000E-01 1.0000000
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D 4
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1 0.2570000000E+02 0.3310330000E-01
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2 0.6530000000E+01 0.1795753000E+00
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3 0.2078000000E+01 0.4373062000E+00
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4 0.6243000000E+00 0.5984860000E+00
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D 1
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1 0.1542000000E+00 1.0000000
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CHROMIUM
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S 3
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1 0.5361000000E+01 -0.3805689000E+00
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2 0.1449000000E+01 0.7795625000E+00
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3 0.5496000000E+00 0.4730777000E+00
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S 4
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1 0.5361000000E+01 0.2203111000E+00
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2 0.1449000000E+01 -0.5423391000E+00
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3 0.5496000000E+00 -0.6047716000E+00
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4 0.1052000000E+00 0.1113666000E+01
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S 1
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1 0.3640000000E-01 1.0000000
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P 3
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1 0.1642000000E+02 -0.4613970000E-01
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2 0.1914000000E+01 0.6109965000E+00
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3 0.6241000000E+00 0.4859635000E+00
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P 4
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1 0.1642000000E+02 0.9460730000E-02
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2 0.1914000000E+01 -0.1530863800E+00
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3 0.6241000000E+00 -0.3827185000E-01
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4 0.6300000000E-01 0.9225467300E+00
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P 1
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1 0.1900000000E-01 1.0000000
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D 4
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1 0.2895000000E+02 0.3377870000E-01
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2 0.7708000000E+01 0.1780345000E+00
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3 0.2495000000E+01 0.4370008000E+00
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4 0.7655000000E+00 0.5941795000E+00
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D 1
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1 0.1889000000E+00 1.0000000
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MANGANESE
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S 3
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1 0.5914000000E+01 -0.3764508000E+00
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2 0.1605000000E+01 0.7724789000E+00
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3 0.6260000000E+00 0.4769346000E+00
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S 4
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1 0.5914000000E+01 0.2119966000E+00
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2 0.1605000000E+01 -0.5199472000E+00
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3 0.6260000000E+00 -0.5857681000E+00
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4 0.1115000000E+00 0.1100396000E+01
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S 1
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1 0.3800000000E-01 1.0000000
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P 3
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1 0.1820000000E+02 -0.4479010000E-01
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2 0.2141000000E+01 0.6260311000E+00
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3 0.7009000000E+00 0.4696329000E+00
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P 4
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1 0.1820000000E+02 0.8251600000E-02
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2 0.2141000000E+01 -0.1409427500E+00
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3 0.7009000000E+00 -0.3167127000E-01
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4 0.6900000000E-01 0.8990942500E+00
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P 1
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1 0.2100000000E-01 1.0000000
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D 4
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1 0.3227000000E+02 0.3415800000E-01
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2 0.8875000000E+01 0.1761105000E+00
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3 0.2890000000E+01 0.4394298000E+00
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4 0.8761000000E+00 0.5943271000E+00
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D 1
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1 0.2120000000E+00 1.0000000
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IRON
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S 3
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1 0.6422000000E+01 -0.3927882000E+00
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2 0.1826000000E+01 0.7712643000E+00
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3 0.7135000000E+00 0.4920228000E+00
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S 4
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1 0.6422000000E+01 0.1786877000E+00
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2 0.1826000000E+01 -0.4194032000E+00
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3 0.7135000000E+00 -0.4568185000E+00
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4 0.1021000000E+00 0.1103505000E+01
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S 1
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1 0.3630000000E-01 1.0000000
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P 3
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1 0.1948000000E+02 -0.4702820000E-01
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2 0.2389000000E+01 0.6248841000E+00
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3 0.7795000000E+00 0.4722542000E+00
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P 4
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1 0.1948000000E+02 0.8954160000E-02
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2 0.2389000000E+01 -0.1449986400E+00
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3 0.7795000000E+00 -0.2959800000E-01
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4 0.7400000000E-01 0.9118691300E+00
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P 1
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1 0.2200000000E-01 1.0000000
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D 4
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1 0.3708000000E+02 0.3290000000E-01
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2 0.1010000000E+02 0.1787418000E+00
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3 0.3220000000E+01 0.4487657000E+00
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4 0.9628000000E+00 0.5876361000E+00
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D 1
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1 0.2262000000E+00 1.0000000
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COBALT
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S 3
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1 0.7176000000E+01 -0.3856734000E+00
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2 0.2009000000E+01 0.7453116000E+00
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3 0.8055000000E+00 0.5091819000E+00
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S 4
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1 0.7176000000E+01 0.1736161000E+00
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2 0.2009000000E+01 -0.3970442000E+00
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3 0.8055000000E+00 -0.4630622000E+00
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4 0.1070000000E+00 0.1089965000E+01
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S 1
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1 0.3750000000E-01 1.0000000
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P 3
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1 0.2139000000E+02 -0.4804130000E-01
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2 0.2650000000E+01 0.6222337000E+00
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3 0.8619000000E+00 0.4758042000E+00
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P 4
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1 0.2139000000E+02 0.8130530000E-02
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2 0.2650000000E+01 -0.1274884900E+00
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3 0.8619000000E+00 -0.3399214000E-01
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4 0.8000000000E-01 0.8735707500E+00
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P 1
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1 0.2300000000E-01 1.0000000
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D 4
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1 0.3925000000E+02 0.3615410000E-01
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2 0.1078000000E+02 0.1896744000E+00
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3 0.3496000000E+01 0.4524981000E+00
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4 0.1066000000E+01 0.5710427000E+00
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D 1
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1 0.2606000000E+00 1.0000000
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NICKEL
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S 3
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1 0.7620000000E+01 -0.4082550000E+00
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2 0.2294000000E+01 0.7455308000E+00
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3 0.8760000000E+00 0.5325721000E+00
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S 4
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1 0.7620000000E+01 0.1872591000E+00
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2 0.2294000000E+01 -0.3966964000E+00
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3 0.8760000000E+00 -0.4954003000E+00
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4 0.1153000000E+00 0.1084434000E+01
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S 1
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1 0.3960000000E-01 1.0000000
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P 3
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1 0.2366000000E+02 -0.4815580000E-01
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2 0.2893000000E+01 0.6258473000E+00
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3 0.9435000000E+00 0.4715158000E+00
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P 4
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1 0.2366000000E+02 0.7131470000E-02
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2 0.2893000000E+01 -0.1089909500E+00
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3 0.9435000000E+00 -0.4615260000E-01
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4 0.8400000000E-01 0.8025519700E+00
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P 1
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1 0.2400000000E-01 1.0000000
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D 4
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1 0.4272000000E+02 0.3726990000E-01
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2 0.1176000000E+02 0.1956103000E+00
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3 0.3817000000E+01 0.4561273000E+00
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4 0.1169000000E+01 0.5621587000E+00
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D 1
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1 0.2836000000E+00 1.0000000
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COPPER
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S 3
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1 0.8176000000E+01 -0.4210260000E+00
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2 0.2568000000E+01 0.7385924000E+00
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3 0.9587000000E+00 0.5525692000E+00
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S 4
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1 0.8176000000E+01 0.1787665000E+00
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2 0.2568000000E+01 -0.3592273000E+00
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3 0.9587000000E+00 -0.4704825000E+00
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4 0.1153000000E+00 0.1080741000E+01
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S 1
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1 0.3960000000E-01 1.0000000
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P 3
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1 0.2563000000E+02 -0.4891730000E-01
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2 0.3166000000E+01 0.6272854000E+00
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3 0.1023000000E+01 0.4716188000E+00
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P 4
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1 0.2563000000E+02 0.7662860000E-02
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2 0.3166000000E+01 -0.1180690800E+00
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3 0.1023000000E+01 -0.3073332000E-01
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4 0.8600000000E-01 0.8698353200E+00
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P 1
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1 0.2400000000E-01 1.0000000
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D 4
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1 0.4134000000E+02 0.4654240000E-01
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2 0.1142000000E+02 0.2227824000E+00
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3 0.3839000000E+01 0.4539059000E+00
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4 0.1230000000E+01 0.5314769000E+00
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D 1
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1 0.3102000000E+00 1.0000000
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YTTRIUM
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S 3
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1 0.1751000000E+01 -0.1161790000E+01
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2 0.1143000000E+01 0.1295888000E+01
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3 0.3581000000E+00 0.7115125000E+00
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S 4
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1 0.1751000000E+01 0.9683123000E+00
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2 0.1143000000E+01 -0.1134637000E+01
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3 0.3581000000E+00 -0.1191405000E+01
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4 0.1058000000E+00 0.9281063000E+00
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S 1
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1 0.3180000000E-01 1.0000000
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P 3
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1 0.3884000000E+01 -0.8206010000E-01
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2 0.7660000000E+00 0.6756413000E+00
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3 0.2890000000E+00 0.4195482000E+00
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P 4
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1 0.3884000000E+01 0.2507810000E-01
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2 0.7660000000E+00 -0.2548121700E+00
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3 0.2890000000E+00 -0.1018642900E+00
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4 0.6290000000E-01 0.7523223700E+00
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P 1
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1 0.2230000000E-01 1.0000000
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D 3
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1 0.1523000000E+01 0.1074843000E+00
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2 0.5634000000E+00 0.4563954000E+00
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3 0.1834000000E+00 0.6039855000E+00
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D 1
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1 0.5690000000E-01 1.0000000
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ZIRCONIUM
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S 3
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1 0.1976000000E+01 -0.9206745000E+00
|
||
|
|
2 0.1154000000E+01 0.1092903000E+01
|
||
|
|
3 0.3910000000E+00 0.6795621000E+00
|
||
|
|
S 4
|
||
|
|
1 0.1976000000E+01 0.7506060000E+00
|
||
|
|
2 0.1154000000E+01 -0.9810826000E+00
|
||
|
|
3 0.3910000000E+00 -0.1022515000E+01
|
||
|
|
4 0.1001000000E+00 0.1086004000E+01
|
||
|
|
S 1
|
||
|
|
1 0.3340000000E-01 1.0000000
|
||
|
|
P 3
|
||
|
|
1 0.4192000000E+01 -0.9425540000E-01
|
||
|
|
2 0.8764000000E+00 0.6783675000E+00
|
||
|
|
3 0.3263000000E+00 0.4246618000E+00
|
||
|
|
P 4
|
||
|
|
1 0.4192000000E+01 0.2948950000E-01
|
||
|
|
2 0.8764000000E+00 -0.2630061500E+00
|
||
|
|
3 0.3263000000E+00 -0.9735154000E-01
|
||
|
|
4 0.7240000000E-01 0.7511517800E+00
|
||
|
|
P 1
|
||
|
|
1 0.2430000000E-01 1.0000000
|
||
|
|
D 3
|
||
|
|
1 0.2269000000E+01 0.5997410000E-01
|
||
|
|
2 0.7855000000E+00 0.4734158000E+00
|
||
|
|
3 0.2615000000E+00 0.6117178000E+00
|
||
|
|
D 1
|
||
|
|
1 0.8020000000E-01 1.0000000
|
||
|
|
|
||
|
|
NIOBIUM
|
||
|
|
S 3
|
||
|
|
1 0.2182000000E+01 -0.8846144000E+00
|
||
|
|
2 0.1209000000E+01 0.1103378000E+01
|
||
|
|
3 0.4165000000E+00 0.6298776000E+00
|
||
|
|
S 4
|
||
|
|
1 0.2182000000E+01 0.7790287000E+00
|
||
|
|
2 0.1209000000E+01 -0.1075279000E+01
|
||
|
|
3 0.4165000000E+00 -0.1150601000E+01
|
||
|
|
4 0.1454000000E+00 0.9969155000E+00
|
||
|
|
S 1
|
||
|
|
1 0.3920000000E-01 1.0000000
|
||
|
|
P 3
|
||
|
|
1 0.4519000000E+01 -0.8173030000E-01
|
||
|
|
2 0.9406000000E+00 0.6995115000E+00
|
||
|
|
3 0.3492000000E+00 0.3980996000E+00
|
||
|
|
P 4
|
||
|
|
1 0.4519000000E+01 0.2556282000E-01
|
||
|
|
2 0.9406000000E+00 -0.2776209400E+00
|
||
|
|
3 0.3492000000E+00 -0.6220852000E-01
|
||
|
|
4 0.7520000000E-01 0.7741450700E+00
|
||
|
|
P 1
|
||
|
|
1 0.2470000000E-01 1.0000000
|
||
|
|
D 3
|
||
|
|
1 0.3466000000E+01 0.3159830000E-01
|
||
|
|
2 0.9938000000E+00 0.4834306000E+00
|
||
|
|
3 0.3350000000E+00 0.6164893000E+00
|
||
|
|
D 1
|
||
|
|
1 0.1024000000E+00 1.0000000
|
||
|
|
|
||
|
|
MOLYBDENUM
|
||
|
|
S 3
|
||
|
|
1 0.2361000000E+01 -0.9121760000E+00
|
||
|
|
2 0.1309000000E+01 0.1147745000E+01
|
||
|
|
3 0.4500000000E+00 0.6097109000E+00
|
||
|
|
S 4
|
||
|
|
1 0.2361000000E+01 0.8139259000E+00
|
||
|
|
2 0.1309000000E+01 -0.1136008000E+01
|
||
|
|
3 0.4500000000E+00 -0.1161159000E+01
|
||
|
|
4 0.1681000000E+00 0.1006479000E+01
|
||
|
|
S 1
|
||
|
|
1 0.4230000000E-01 1.0000000
|
||
|
|
P 3
|
||
|
|
1 0.4895000000E+01 -0.9082580000E-01
|
||
|
|
2 0.1044000000E+01 0.7042899000E+00
|
||
|
|
3 0.3877000000E+00 0.3973179000E+00
|
||
|
|
P 4
|
||
|
|
1 0.4895000000E+01 0.2754991000E-01
|
||
|
|
2 0.1044000000E+01 -0.2707449600E+00
|
||
|
|
3 0.3877000000E+00 -0.4916928000E-01
|
||
|
|
4 0.7800000000E-01 0.7801960100E+00
|
||
|
|
P 1
|
||
|
|
1 0.2470000000E-01 1.0000000
|
||
|
|
D 3
|
||
|
|
1 0.2993000000E+01 0.5270630000E-01
|
||
|
|
2 0.1063000000E+01 0.5003907000E+00
|
||
|
|
3 0.3721000000E+00 0.5794024000E+00
|
||
|
|
D 1
|
||
|
|
1 0.1178000000E+00 1.0000000
|
||
|
|
|
||
|
|
TECHNETIUM
|
||
|
|
S 3
|
||
|
|
1 0.2342000000E+01 -0.1491178000E+01
|
||
|
|
2 0.1634000000E+01 0.1674904000E+01
|
||
|
|
3 0.5094000000E+00 0.6573006000E+00
|
||
|
|
S 4
|
||
|
|
1 0.2342000000E+01 0.1352400000E+01
|
||
|
|
2 0.1634000000E+01 -0.1621630000E+01
|
||
|
|
3 0.5094000000E+00 -0.1146377000E+01
|
||
|
|
4 0.1706000000E+00 0.9859190000E+00
|
||
|
|
S 1
|
||
|
|
1 0.4350000000E-01 1.0000000
|
||
|
|
P 3
|
||
|
|
1 0.5278000000E+01 -0.9954190000E-01
|
||
|
|
2 0.1156000000E+01 0.7081544000E+00
|
||
|
|
3 0.4302000000E+00 0.3973571000E+00
|
||
|
|
P 4
|
||
|
|
1 0.5278000000E+01 0.2857053000E-01
|
||
|
|
2 0.1156000000E+01 -0.2551873000E+00
|
||
|
|
3 0.4302000000E+00 -0.6471027000E-01
|
||
|
|
4 0.8950000000E-01 0.7458897000E+00
|
||
|
|
P 1
|
||
|
|
1 0.2460000000E-01 1.0000000
|
||
|
|
D 3
|
||
|
|
1 0.4632000000E+01 0.2687240000E-01
|
||
|
|
2 0.1279000000E+01 0.5073089000E+00
|
||
|
|
3 0.4425000000E+00 0.5911381000E+00
|
||
|
|
D 1
|
||
|
|
1 0.1364000000E+00 1.0000000
|
||
|
|
|
||
|
|
RUTHENIUM
|
||
|
|
S 3
|
||
|
|
1 0.2565000000E+01 -0.1043106000E+01
|
||
|
|
2 0.1508000000E+01 0.1331479000E+01
|
||
|
|
3 0.5129000000E+00 0.5613065000E+00
|
||
|
|
S 4
|
||
|
|
1 0.2565000000E+01 0.8770128000E+00
|
||
|
|
2 0.1508000000E+01 -0.1263466000E+01
|
||
|
|
3 0.5129000000E+00 -0.8384987000E+00
|
||
|
|
4 0.1362000000E+00 0.1063777000E+01
|
||
|
|
S 1
|
||
|
|
1 0.4170000000E-01 1.0000000
|
||
|
|
P 3
|
||
|
|
1 0.4859000000E+01 -0.9457550000E-01
|
||
|
|
2 0.1219000000E+01 0.7434798000E+00
|
||
|
|
3 0.4413000000E+00 0.3668144000E+00
|
||
|
|
P 4
|
||
|
|
1 0.4859000000E+01 0.2740523000E-01
|
||
|
|
2 0.1219000000E+01 -0.2772674000E+00
|
||
|
|
3 0.4413000000E+00 -0.1280913000E-01
|
||
|
|
4 0.8300000000E-01 0.8156640000E+00
|
||
|
|
P 1
|
||
|
|
1 0.2500000000E-01 1.0000000
|
||
|
|
D 3
|
||
|
|
1 0.4195000000E+01 0.4857290000E-01
|
||
|
|
2 0.1377000000E+01 0.5105223000E+00
|
||
|
|
3 0.4828000000E+00 0.5730028000E+00
|
||
|
|
D 1
|
||
|
|
1 0.1501000000E+00 1.0000000
|
||
|
|
|
||
|
|
RHODIUM
|
||
|
|
S 3
|
||
|
|
1 0.2646000000E+01 -0.1355408000E+01
|
||
|
|
2 0.1751000000E+01 0.1611223000E+01
|
||
|
|
3 0.5713000000E+00 0.5893814000E+00
|
||
|
|
S 4
|
||
|
|
1 0.2646000000E+01 0.1147214000E+01
|
||
|
|
2 0.1751000000E+01 -0.1494352000E+01
|
||
|
|
3 0.5713000000E+00 -0.8589704000E+00
|
||
|
|
4 0.1438000000E+00 0.1029724000E+01
|
||
|
|
S 1
|
||
|
|
1 0.4280000000E-01 1.0000000
|
||
|
|
P 3
|
||
|
|
1 0.5440000000E+01 -0.9876990000E-01
|
||
|
|
2 0.1329000000E+01 0.7433595000E+00
|
||
|
|
3 0.4845000000E+00 0.3668462000E+00
|
||
|
|
P 4
|
||
|
|
1 0.5440000000E+01 0.2587041000E-01
|
||
|
|
2 0.1329000000E+01 -0.2494065600E+00
|
||
|
|
3 0.4845000000E+00 -0.2125155000E-01
|
||
|
|
4 0.8690000000E-01 0.7765097700E+00
|
||
|
|
P 1
|
||
|
|
1 0.2570000000E-01 1.0000000
|
||
|
|
D 3
|
||
|
|
1 0.3669000000E+01 0.7600590000E-01
|
||
|
|
2 0.1423000000E+01 0.5158852000E+00
|
||
|
|
3 0.5091000000E+00 0.5436585000E+00
|
||
|
|
D 1
|
||
|
|
1 0.1610000000E+00 1.0000000
|
||
|
|
|
||
|
|
PALLADIUM
|
||
|
|
S 3
|
||
|
|
1 0.2787000000E+01 -0.1610239000E+01
|
||
|
|
2 0.1965000000E+01 0.1848984000E+01
|
||
|
|
3 0.6243000000E+00 0.6037492000E+00
|
||
|
|
S 4
|
||
|
|
1 0.2787000000E+01 0.1354078000E+01
|
||
|
|
2 0.1965000000E+01 -0.1678085000E+01
|
||
|
|
3 0.6243000000E+00 -0.8559381000E+00
|
||
|
|
4 0.1496000000E+00 0.1020030000E+01
|
||
|
|
S 1
|
||
|
|
1 0.4360000000E-01 1.0000000
|
||
|
|
P 3
|
||
|
|
1 0.5999000000E+01 -0.1034910000E+00
|
||
|
|
2 0.1443000000E+01 0.7456952000E+00
|
||
|
|
3 0.5264000000E+00 0.3656494000E+00
|
||
|
|
P 4
|
||
|
|
1 0.5999000000E+01 0.2670153000E-01
|
||
|
|
2 0.1443000000E+01 -0.2457828800E+00
|
||
|
|
3 0.5264000000E+00 -0.1426049000E-01
|
||
|
|
4 0.8990000000E-01 0.7898110300E+00
|
||
|
|
P 1
|
||
|
|
1 0.2620000000E-01 1.0000000
|
||
|
|
D 3
|
||
|
|
1 0.6091000000E+01 0.3761460000E-01
|
||
|
|
2 0.1719000000E+01 0.5200479000E+00
|
||
|
|
3 0.6056000000E+00 0.5706071000E+00
|
||
|
|
D 1
|
||
|
|
1 0.1883000000E+00 1.0000000
|
||
|
|
|
||
|
|
SILVER
|
||
|
|
S 3
|
||
|
|
1 0.2950000000E+01 -0.1791056000E+01
|
||
|
|
2 0.2149000000E+01 0.2024457000E+01
|
||
|
|
3 0.6684000000E+00 0.6072839000E+00
|
||
|
|
S 4
|
||
|
|
1 0.2950000000E+01 0.1014112000E+01
|
||
|
|
2 0.2149000000E+01 -0.1241397000E+01
|
||
|
|
3 0.6684000000E+00 -0.4901427000E+00
|
||
|
|
4 0.9970000000E-01 0.1112838000E+01
|
||
|
|
S 1
|
||
|
|
1 0.3470000000E-01 1.0000000
|
||
|
|
P 3
|
||
|
|
1 0.6553000000E+01 -0.1079117000E+00
|
||
|
|
2 0.1565000000E+01 0.7403645000E+00
|
||
|
|
3 0.5748000000E+00 0.3721008000E+00
|
||
|
|
P 4
|
||
|
|
1 0.6553000000E+01 0.2492651000E-01
|
||
|
|
2 0.1565000000E+01 -0.2176319600E+00
|
||
|
|
3 0.5748000000E+00 -0.9968790000E-02
|
||
|
|
4 0.8330000000E-01 0.8066358800E+00
|
||
|
|
P 1
|
||
|
|
1 0.2520000000E-01 1.0000000
|
||
|
|
D 3
|
||
|
|
1 0.3391000000E+01 0.1396938000E+00
|
||
|
|
2 0.1599000000E+01 0.4744421000E+00
|
||
|
|
3 0.6282000000E+00 0.5156311000E+00
|
||
|
|
D 1
|
||
|
|
1 0.2108000000E+00 1.0000000
|
||
|
|
|
||
|
|
LANTHANUM
|
||
|
|
S 3
|
||
|
|
1 0.9167000000E+00 -0.3024075000E+01
|
||
|
|
2 0.7427000000E+00 0.3297148000E+01
|
||
|
|
3 0.2237000000E+00 0.5513542000E+00
|
||
|
|
S 4
|
||
|
|
1 0.9167000000E+00 0.2691024000E+01
|
||
|
|
2 0.7427000000E+00 -0.3047436000E+01
|
||
|
|
3 0.2237000000E+00 -0.1103021000E+01
|
||
|
|
4 0.7920000000E-01 0.1194186000E+01
|
||
|
|
S 1
|
||
|
|
1 0.2390000000E-01 1.0000000
|
||
|
|
P 3
|
||
|
|
1 0.1554000000E+01 -0.1817168000E+00
|
||
|
|
2 0.5622000000E+00 0.6632226000E+00
|
||
|
|
3 0.2239000000E+00 0.5029782000E+00
|
||
|
|
P 4
|
||
|
|
1 0.1554000000E+01 0.6520690000E-01
|
||
|
|
2 0.5622000000E+00 -0.2923982700E+00
|
||
|
|
3 0.2239000000E+00 -0.1489021900E+00
|
||
|
|
4 0.4830000000E-01 0.8027785600E+00
|
||
|
|
P 1
|
||
|
|
1 0.1790000000E-01 1.0000000
|
||
|
|
D 2
|
||
|
|
1 0.4524000000E+00 0.4468051000E+00
|
||
|
|
2 0.1602000000E+00 0.6543493000E+00
|
||
|
|
D 1
|
||
|
|
1 0.5310000000E-01 1.0000000
|
||
|
|
|
||
|
|
HAFNIUM
|
||
|
|
S 3
|
||
|
|
1 0.1950000000E+01 -0.1226085000E+01
|
||
|
|
2 0.1183000000E+01 0.1569507000E+01
|
||
|
|
3 0.3897000000E+00 0.4933412000E+00
|
||
|
|
S 4
|
||
|
|
1 0.1950000000E+01 0.1077838000E+01
|
||
|
|
2 0.1183000000E+01 -0.1501086000E+01
|
||
|
|
3 0.3897000000E+00 -0.1198218000E+01
|
||
|
|
4 0.1656000000E+00 0.1229030000E+01
|
||
|
|
S 1
|
||
|
|
1 0.4240000000E-01 1.0000000
|
||
|
|
P 3
|
||
|
|
1 0.1972000000E+01 -0.6323467000E+00
|
||
|
|
2 0.1354000000E+01 0.1046516000E+01
|
||
|
|
3 0.4134000000E+00 0.5801670000E+00
|
||
|
|
P 4
|
||
|
|
1 0.1972000000E+01 0.2057732600E+00
|
||
|
|
2 0.1354000000E+01 -0.3665068800E+00
|
||
|
|
3 0.4134000000E+00 -0.1772287200E+00
|
||
|
|
4 0.8040000000E-01 0.7408025000E+00
|
||
|
|
P 1
|
||
|
|
1 0.2740000000E-01 1.0000000
|
||
|
|
D 2
|
||
|
|
1 0.8226000000E+00 0.4490405000E+00
|
||
|
|
2 0.2585000000E+00 0.6723891000E+00
|
||
|
|
D 1
|
||
|
|
1 0.7620000000E-01 1.0000000
|
||
|
|
|
||
|
|
TANTALUM
|
||
|
|
S 3
|
||
|
|
1 0.2044000000E+01 -0.1310478000E+01
|
||
|
|
2 0.1267000000E+01 0.1657992000E+01
|
||
|
|
3 0.4157000000E+00 0.4848337000E+00
|
||
|
|
S 4
|
||
|
|
1 0.2044000000E+01 0.1189732000E+01
|
||
|
|
2 0.1267000000E+01 -0.1665046000E+01
|
||
|
|
3 0.4157000000E+00 -0.1056334000E+01
|
||
|
|
4 0.1671000000E+00 0.1184065000E+01
|
||
|
|
S 1
|
||
|
|
1 0.4820000000E-01 1.0000000
|
||
|
|
P 3
|
||
|
|
1 0.2565000000E+01 -0.2917238000E+00
|
||
|
|
2 0.1229000000E+01 0.7570649000E+00
|
||
|
|
3 0.4244000000E+00 0.5240081000E+00
|
||
|
|
P 4
|
||
|
|
1 0.2565000000E+01 0.9520789000E-01
|
||
|
|
2 0.1229000000E+01 -0.2857388300E+00
|
||
|
|
3 0.4244000000E+00 -0.1387462400E+00
|
||
|
|
4 0.8400000000E-01 0.7660282800E+00
|
||
|
|
P 1
|
||
|
|
1 0.2800000000E-01 1.0000000
|
||
|
|
D 2
|
||
|
|
1 0.8948000000E+00 0.4731072000E+00
|
||
|
|
2 0.2989000000E+00 0.6399200000E+00
|
||
|
|
D 1
|
||
|
|
1 0.9350000000E-01 1.0000000
|
||
|
|
|
||
|
|
TUNGSTEN
|
||
|
|
S 3
|
||
|
|
1 0.2137000000E+01 -0.1391615000E+01
|
||
|
|
2 0.1347000000E+01 0.1751026000E+01
|
||
|
|
3 0.4366000000E+00 0.4694647000E+00
|
||
|
|
S 4
|
||
|
|
1 0.2137000000E+01 0.1298509000E+01
|
||
|
|
2 0.1347000000E+01 -0.1810243000E+01
|
||
|
|
3 0.4366000000E+00 -0.1084453000E+01
|
||
|
|
4 0.1883000000E+00 0.1258062000E+01
|
||
|
|
S 1
|
||
|
|
1 0.5180000000E-01 1.0000000
|
||
|
|
P 3
|
||
|
|
1 0.3005000000E+01 -0.2405563000E+00
|
||
|
|
2 0.1228000000E+01 0.7364092000E+00
|
||
|
|
3 0.4415000000E+00 0.4881487000E+00
|
||
|
|
P 4
|
||
|
|
1 0.3005000000E+01 0.7783880000E-01
|
||
|
|
2 0.1228000000E+01 -0.2840212900E+00
|
||
|
|
3 0.4415000000E+00 -0.1161480100E+00
|
||
|
|
4 0.9000000000E-01 0.7645931200E+00
|
||
|
|
P 1
|
||
|
|
1 0.2800000000E-01 1.0000000
|
||
|
|
D 2
|
||
|
|
1 0.9519000000E+00 0.4985265000E+00
|
||
|
|
2 0.3270000000E+00 0.6111110000E+00
|
||
|
|
D 1
|
||
|
|
1 0.1054000000E+00 1.0000000
|
||
|
|
|
||
|
|
RHENIUM
|
||
|
|
S 3
|
||
|
|
1 0.2185000000E+01 -0.1622373000E+01
|
||
|
|
2 0.1451000000E+01 0.1993865000E+01
|
||
|
|
3 0.4585000000E+00 0.4531166000E+00
|
||
|
|
S 4
|
||
|
|
1 0.2185000000E+01 0.1545975000E+01
|
||
|
|
2 0.1451000000E+01 -0.2075893000E+01
|
||
|
|
3 0.4585000000E+00 -0.1192240000E+01
|
||
|
|
4 0.2314000000E+00 0.1227286000E+01
|
||
|
|
S 1
|
||
|
|
1 0.5660000000E-01 1.0000000
|
||
|
|
P 3
|
||
|
|
1 0.3358000000E+01 -0.2318667000E+00
|
||
|
|
2 0.1271000000E+01 0.7458683000E+00
|
||
|
|
3 0.4644000000E+00 0.4632686000E+00
|
||
|
|
P 4
|
||
|
|
1 0.3358000000E+01 0.7220640000E-01
|
||
|
|
2 0.1271000000E+01 -0.2811099500E+00
|
||
|
|
3 0.4644000000E+00 -0.8502109000E-01
|
||
|
|
4 0.8900000000E-01 0.7677496500E+00
|
||
|
|
P 1
|
||
|
|
1 0.2800000000E-01 1.0000000
|
||
|
|
D 2
|
||
|
|
1 0.1116000000E+01 0.4689888000E+00
|
||
|
|
2 0.4267000000E+00 0.6209591000E+00
|
||
|
|
D 1
|
||
|
|
1 0.1378000000E+00 1.0000000
|
||
|
|
|
||
|
|
OSMIUM
|
||
|
|
S 3
|
||
|
|
1 0.2222000000E+01 -0.1653804000E+01
|
||
|
|
2 0.1496000000E+01 0.2067030000E+01
|
||
|
|
3 0.4774000000E+00 0.4232017000E+00
|
||
|
|
S 4
|
||
|
|
1 0.2222000000E+01 0.1604697000E+01
|
||
|
|
2 0.1496000000E+01 -0.2212039000E+01
|
||
|
|
3 0.4774000000E+00 -0.1130121000E+01
|
||
|
|
4 0.2437000000E+00 0.1265455000E+01
|
||
|
|
S 1
|
||
|
|
1 0.5830000000E-01 1.0000000
|
||
|
|
P 3
|
||
|
|
1 0.2518000000E+01 -0.4177345000E+00
|
||
|
|
2 0.1460000000E+01 0.9434947000E+00
|
||
|
|
3 0.4923000000E+00 0.4672976000E+00
|
||
|
|
P 4
|
||
|
|
1 0.2518000000E+01 0.1264627900E+00
|
||
|
|
2 0.1460000000E+01 -0.3298170900E+00
|
||
|
|
3 0.4923000000E+00 -0.9451131000E-01
|
||
|
|
4 0.9800000000E-01 0.7238295900E+00
|
||
|
|
P 1
|
||
|
|
1 0.2900000000E-01 1.0000000
|
||
|
|
D 2
|
||
|
|
1 0.1183000000E+01 0.4838470000E+00
|
||
|
|
2 0.4492000000E+00 0.6079573000E+00
|
||
|
|
D 1
|
||
|
|
1 0.1463000000E+00 1.0000000
|
||
|
|
|
||
|
|
IRIDIUM
|
||
|
|
S 3
|
||
|
|
1 0.2350000000E+01 -0.1678464000E+01
|
||
|
|
2 0.1582000000E+01 0.2095255000E+01
|
||
|
|
3 0.5018000000E+00 0.4162934000E+00
|
||
|
|
S 4
|
||
|
|
1 0.2350000000E+01 0.1646447000E+01
|
||
|
|
2 0.1582000000E+01 -0.2274815000E+01
|
||
|
|
3 0.5018000000E+00 -0.1049436000E+01
|
||
|
|
4 0.2500000000E+00 0.1216779000E+01
|
||
|
|
S 1
|
||
|
|
1 0.5980000000E-01 1.0000000
|
||
|
|
P 3
|
||
|
|
1 0.2792000000E+01 -0.3889212000E+00
|
||
|
|
2 0.1541000000E+01 0.9077516000E+00
|
||
|
|
3 0.5285000000E+00 0.4691443000E+00
|
||
|
|
P 4
|
||
|
|
1 0.2792000000E+01 0.1204123500E+00
|
||
|
|
2 0.1541000000E+01 -0.3272359500E+00
|
||
|
|
3 0.5285000000E+00 -0.7907718000E-01
|
||
|
|
4 0.9800000000E-01 0.7632532200E+00
|
||
|
|
P 1
|
||
|
|
1 0.2900000000E-01 1.0000000
|
||
|
|
D 2
|
||
|
|
1 0.1240000000E+01 0.5087022000E+00
|
||
|
|
2 0.4647000000E+00 0.5862102000E+00
|
||
|
|
D 1
|
||
|
|
1 0.1529000000E+00 1.0000000
|
||
|
|
|
||
|
|
PLATINUM
|
||
|
|
S 3
|
||
|
|
1 0.2547000000E+01 -0.1473918000E+01
|
||
|
|
2 0.1614000000E+01 0.1911572000E+01
|
||
|
|
3 0.5167000000E+00 0.3922319000E+00
|
||
|
|
S 4
|
||
|
|
1 0.2547000000E+01 0.1438817000E+01
|
||
|
|
2 0.1614000000E+01 -0.2091182000E+01
|
||
|
|
3 0.5167000000E+00 -0.1092132000E+01
|
||
|
|
4 0.2651000000E+00 0.1342660000E+01
|
||
|
|
S 1
|
||
|
|
1 0.5800000000E-01 1.0000000
|
||
|
|
P 3
|
||
|
|
1 0.2911000000E+01 -0.5247438000E+00
|
||
|
|
2 0.1836000000E+01 0.9671884000E+00
|
||
|
|
3 0.5982000000E+00 0.5438632000E+00
|
||
|
|
P 4
|
||
|
|
1 0.2911000000E+01 0.1702966400E+00
|
||
|
|
2 0.1836000000E+01 -0.3510369500E+00
|
||
|
|
3 0.5982000000E+00 -0.1010735800E+00
|
||
|
|
4 0.9960000000E-01 0.7803291700E+00
|
||
|
|
P 1
|
||
|
|
1 0.2900000000E-01 1.0000000
|
||
|
|
D 2
|
||
|
|
1 0.1243000000E+01 0.5598150000E+00
|
||
|
|
2 0.4271000000E+00 0.5511090000E+00
|
||
|
|
D 1
|
||
|
|
1 0.1370000000E+00 1.0000000
|
||
|
|
|
||
|
|
GOLD
|
||
|
|
S 3
|
||
|
|
1 0.2809000000E+01 -0.1202156000E+01
|
||
|
|
2 0.1595000000E+01 0.1674158000E+01
|
||
|
|
3 0.5327000000E+00 0.3526593000E+00
|
||
|
|
S 4
|
||
|
|
1 0.2809000000E+01 0.1160848000E+01
|
||
|
|
2 0.1595000000E+01 -0.1864285000E+01
|
||
|
|
3 0.5327000000E+00 -0.1035623000E+01
|
||
|
|
4 0.2826000000E+00 0.1306440000E+01
|
||
|
|
S 1
|
||
|
|
1 0.5980000000E-01 1.0000000
|
||
|
|
P 3
|
||
|
|
1 0.3684000000E+01 -0.2802681000E+00
|
||
|
|
2 0.1666000000E+01 0.7818398000E+00
|
||
|
|
3 0.5989000000E+00 0.4804776000E+00
|
||
|
|
P 4
|
||
|
|
1 0.3684000000E+01 0.7934225000E-01
|
||
|
|
2 0.1666000000E+01 -0.2663019700E+00
|
||
|
|
3 0.5989000000E+00 -0.6487433000E-01
|
||
|
|
4 0.9770000000E-01 0.7537341400E+00
|
||
|
|
P 1
|
||
|
|
1 0.2790000000E-01 1.0000000
|
||
|
|
D 2
|
||
|
|
1 0.1287000000E+01 0.5844273000E+00
|
||
|
|
2 0.4335000000E+00 0.5298161000E+00
|
||
|
|
D 1
|
||
|
|
1 0.1396000000E+00 1.0000000
|
||
|
|
|
||
|
|
|