mirror of https://github.com/QMCPACK/qmcpack.git
79 lines
1.1 KiB
Plaintext
79 lines
1.1 KiB
Plaintext
INTGRL
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Bi
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Bi STU ecp
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C 1
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83. 1
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Bi 0.000000 0.00000000 0.00000000
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LARGE EXPLICIT 4 1 1 1 1
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f 13 0
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798.633
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95.0023
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21.2520
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13.2919
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8.31210
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5.19476
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1.90972
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0.962271
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0.356026
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0.168327
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0.0784
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0.073265
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0.0297
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f 12 0
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19.2259
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12.0378
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7.53621
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2.16084
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1.13036
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0.566778
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0.4469
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0.271608
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0.117769
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0.0743
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0.049304
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0.0276
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f 9 0
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65.0224
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13.6908
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7.09591
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2.52090
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1.34066
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0.682558
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0.327714
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0.1306
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0.0488
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f 2 0
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0.3164
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0.1188
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ECP 78 5 3
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3
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1 40.00000 5.0
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3 38.50000 200.0
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2 40.00000 -74.796
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2
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2 1.994153 35.755622
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2 0.240286 -0.404113
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4
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2 0.896039 2.688441
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2 0.875463 5.715603
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2 0.262580 -0.171255
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2 0.232846 -0.150845
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2
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2 0.779775 4.060445
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2 0.739216 5.980282
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2
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2 0.987519 -2.646547
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2 0.959907 -3.373825
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4
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2 0.896039 -5.376883
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2 0.875463 5.715603
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2 0.262580 0.342510
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2 0.232846 -0.150845
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2
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2 0.779775 -4.060445
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2 0.739216 3.986855
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2
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2 0.987519 1.764365
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2 0.959907 -1.686912
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FINISH
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