mirror of
https://github.com/QuantumPackage/qp2.git
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122 lines
4.7 KiB
Plaintext
122 lines
4.7 KiB
Plaintext
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TITANIUM
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S 17
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1 5309148.1000000 0.0000040
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2 794951.6500000 0.0000340
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3 180907.5600000 0.0001800
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4 51241.9330000 0.0007590
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10 193.0467700 0.2802820
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11 90.4393690 0.3484000
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12 43.0207130 0.2217050
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13 19.1905550 0.0400180
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14 9.4257160 -0.0021380
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15 4.6052430 0.0017220
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16 2.0378340 -0.0008020
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17 0.9800320 0.0003560
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S 17
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1 5309148.1000000 -0.0000010
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2 794951.6500000 -0.0000100
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3 180907.5600000 -0.0000530
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5 16717.4490000 -0.0008180
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14 9.4257160 0.5384640
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15 4.6052430 0.4357080
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16 2.0378340 0.0681170
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17 0.9800320 -0.0024360
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S 16
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1 794951.6500000 0.0000040
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2 180907.5600000 0.0000180
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3 51241.9330000 0.0000810
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4 16717.4490000 0.0002890
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5 6035.2659000 0.0009510
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6 2353.8571000 0.0028120
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8 425.4356300 0.0185920
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9 193.0467700 0.0390850
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10 90.4393690 0.0664980
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12 19.1905550 -0.0562490
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15 2.0378340 0.1704320
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16 0.9800320 0.6975960
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S 1
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1 0.4456250 1.0000000
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S 1
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1 0.1064170 1.0000000
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S 1
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1 0.0525710 1.0000000
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S 1
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1 0.0243570 1.0000000
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P 10
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1 7999.8045000 0.0000880
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2 1894.4515000 0.0007770
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3 615.1874800 0.0044040
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4 234.9274100 0.0186640
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5 99.2137530 0.0620720
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6 44.9161400 0.1590770
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7 21.2497170 0.2969700
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8 10.3304580 0.3688010
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9 5.1049800 0.2348260
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10 2.4406900 0.0493560
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P 10
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1 7999.8045000 -0.0000290
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2 1894.4515000 -0.0002610
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3 615.1874800 -0.0014820
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4 234.9274100 -0.0063570
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5 99.2137530 -0.0214770
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6 44.9161400 -0.0571340
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7 21.2497170 -0.1104660
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8 10.3304580 -0.1481470
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9 5.1049800 -0.0554260
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10 2.4406900 0.2455620
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P 1
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1 1.1512050 1.0000000
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P 1
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1 0.5295560 1.0000000
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P 1
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1 0.2211900 1.0000000
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P 1
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1 0.0880000 1.0000000
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P 1
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1 0.0350000 1.0000000
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P 1
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1 0.0140000 1.0000000
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D 4
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1 89.5692010 0.0019660
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2 26.5843560 0.0147190
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3 9.7710320 0.0582080
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4 3.9619330 0.1581680
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D 1
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1 1.6892690 1.0000000
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D 1
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1 0.7156710 1.0000000
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D 1
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1 0.2938110 1.0000000
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D 1
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1 0.1108310 1.0000000
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D 1
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1 0.0440000 1.0000000
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F 1
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1 2.7440000 1.0000000
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F 1
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1 0.9800000 1.0000000
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F 1
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1 0.3500000 1.0000000
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G 1
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1 0.6300000 1.0000000
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