mirror of https://github.com/QMCPACK/qmcpack.git
69 lines
1.3 KiB
Plaintext
69 lines
1.3 KiB
Plaintext
H 1 0. 0. 0.
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s 6 1.00
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1 6.359201 -0.004943
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2 3.546637 0.049579
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3 1.493442 0.037176
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4 0.551948 0.287908
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5 0.207203 0.009543
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6 0.079234 0.770084
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s 6 1.00
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1 6.359201 -0.016672
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2 3.546637 -0.005774
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3 1.493442 -0.227982
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4 0.551948 -0.285652
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5 0.207203 -1.071579
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6 0.079234 1.423767
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s 6 1.00
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1 6.359201 -0.018886
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2 3.546637 -0.058854
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3 1.493442 -0.556988
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4 0.551948 -1.084022
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5 0.207203 2.721525
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6 0.079234 -1.458091
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s 6 1.00
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1 6.359201 -0.081999
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2 3.546637 -0.069460
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3 1.493442 -2.075555
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4 0.551948 4.125180
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5 0.207203 -3.407591
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6 0.079234 1.264873
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s 6 1.00
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1 6.359201 0.624292
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2 3.546637 -3.954593
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3 1.493442 5.614244
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4 0.551948 -4.299981
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5 0.207203 2.379542
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6 0.079234 -0.749499
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s 1 1.00
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1 0.102700 1.000000
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p 1 1.00
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1 4.516000 1.000000
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p 1 1.00
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1 1.712000 1.000000
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p 1 1.00
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1 0.649000 1.000000
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p 1 1.00
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1 0.246000 1.000000
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d 1 1.00
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1 2.950000 1.000000
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d 1 1.00
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1 1.206000 1.000000
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d 1 1.00
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1 0.493000 1.000000
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f 1 1.00
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1 1.397000 1.000000
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f 1 1.00
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1 2.506000 1.000000
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f 1 1.00
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1 0.875000 1.000000
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g 1 1.00
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1 2.358000 1.000000
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H-QMC GEN 0 0
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3
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1.00000000 1 4.47692410
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4.47692410 3 2.97636451
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-4.32112340 2 3.01841596
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