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- fullC/p1/5A_elytes/group_000.zarr/atom_f8/zarr.json +68 -0
- fullC/p1/5A_elytes/group_000.zarr/atom_offsets/c/0 +0 -0
- fullC/p1/5A_elytes/group_000.zarr/atom_offsets/zarr.json +65 -0
- fullC/p1/5A_elytes/group_000.zarr/atom_z/c/0 +0 -0
- fullC/p1/5A_elytes/group_000.zarr/flags/c/0/0 +0 -0
- fullC/p1/5A_elytes/group_000.zarr/flags/zarr.json +65 -0
- fullC/p1/5A_elytes/group_000.zarr/pair_loewdin_bo_offsets/c/0 +0 -0
- fullC/p1/5A_elytes/group_000.zarr/pair_loewdin_bo_offsets/zarr.json +65 -0
- fullC/p1/5A_elytes/group_000.zarr/pair_mayer_bo_index/zarr.json +68 -0
- fullC/p1/5A_elytes/group_000.zarr/pair_mayer_bo_offsets/c/0 +0 -0
- fullC/p1/5A_elytes/group_000.zarr/pair_mayer_bo_offsets/zarr.json +65 -0
- fullC/p1/5A_elytes/group_000.zarr/pair_mulliken_ovlp_offsets/c/0 +0 -0
- fullC/p1/5A_elytes/group_000.zarr/pair_mulliken_ovlp_offsets/zarr.json +65 -0
- fullC/p1/5A_elytes/group_000.zarr/pair_mulliken_ovlp_value/zarr.json +65 -0
- fullC/p1/5A_elytes/group_000.zarr/scalar_f8/c/0/0 +0 -0
- fullC/p1/5A_elytes/group_000.zarr/scalar_i/c/0/0 +0 -0
- fullC/p1/5A_elytes/group_000.zarr/scalar_i/zarr.json +68 -0
- fullC/p1/5A_elytes/group_000.zarr/vec/c/0/0 +0 -0
- fullC/p1/ml_mo/group_000.zarr/atom_f8/zarr.json +68 -0
- fullC/p1/ml_mo/group_000.zarr/atom_offsets/c/0 +0 -0
- fullC/p1/ml_mo/group_000.zarr/atom_offsets/zarr.json +65 -0
- fullC/p1/ml_mo/group_000.zarr/atom_shell/zarr.json +68 -0
- fullC/p1/ml_mo/group_000.zarr/atom_z/c/0 +0 -0
- fullC/p1/ml_mo/group_000.zarr/atom_z/zarr.json +65 -0
- fullC/p1/ml_mo/group_000.zarr/flags/c/0/0 +0 -0
- fullC/p1/ml_mo/group_000.zarr/flags/zarr.json +65 -0
- fullC/p1/ml_mo/group_000.zarr/pair_loewdin_bo_index/zarr.json +68 -0
- fullC/p1/ml_mo/group_000.zarr/pair_loewdin_bo_offsets/c/0 +0 -0
- fullC/p1/ml_mo/group_000.zarr/pair_loewdin_bo_offsets/zarr.json +65 -0
- fullC/p1/ml_mo/group_000.zarr/pair_loewdin_bo_value/zarr.json +65 -0
- fullC/p1/ml_mo/group_000.zarr/pair_mayer_bo_index/zarr.json +68 -0
- fullC/p1/ml_mo/group_000.zarr/pair_mayer_bo_offsets/c/0 +0 -0
- fullC/p1/ml_mo/group_000.zarr/pair_mayer_bo_offsets/zarr.json +65 -0
- fullC/p1/ml_mo/group_000.zarr/pair_mayer_bo_value/zarr.json +65 -0
- fullC/p1/ml_mo/group_000.zarr/pair_mulliken_ovlp_index/zarr.json +68 -0
- fullC/p1/ml_mo/group_000.zarr/pair_mulliken_ovlp_offsets/c/0 +0 -0
- fullC/p1/ml_mo/group_000.zarr/pair_mulliken_ovlp_offsets/zarr.json +65 -0
- fullC/p1/ml_mo/group_000.zarr/pair_mulliken_ovlp_value/zarr.json +65 -0
- fullC/p1/ml_mo/group_000.zarr/scalar_f8/zarr.json +68 -0
- fullC/p1/ml_mo/group_000.zarr/scalar_i/c/0/0 +0 -0
- fullC/p1/ml_mo/group_000.zarr/scalar_i/zarr.json +68 -0
- fullC/p1/ml_mo/group_000.zarr/vec/zarr.json +68 -0
- fullC/p1/ml_mo/group_000.zarr/zarr.json +0 -0
- fullC/p1/ml_mo/group_001.zarr/atom_f8/zarr.json +68 -0
- fullC/p1/ml_mo/group_001.zarr/atom_offsets/c/0 +0 -0
- fullC/p1/ml_mo/group_001.zarr/atom_offsets/zarr.json +65 -0
- fullC/p1/ml_mo/group_001.zarr/atom_shell/zarr.json +68 -0
- fullC/p1/ml_mo/group_001.zarr/atom_z/c/0 +0 -0
- fullC/p1/ml_mo/group_001.zarr/atom_z/zarr.json +65 -0
- fullC/p1/ml_mo/group_001.zarr/flags/c/0/0 +0 -0
fullC/p1/5A_elytes/group_000.zarr/atom_f8/zarr.json
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fullC/p1/5A_elytes/group_000.zarr/atom_offsets/c/0
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Binary file (772 Bytes). View file
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fullC/p1/5A_elytes/group_000.zarr/atom_offsets/zarr.json
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fullC/p1/5A_elytes/group_000.zarr/atom_z/c/0
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Binary file (4.05 kB). View file
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fullC/p1/5A_elytes/group_000.zarr/flags/c/0/0
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Binary file (675 Bytes). View file
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fullC/p1/5A_elytes/group_000.zarr/flags/zarr.json
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fullC/p1/5A_elytes/group_000.zarr/pair_loewdin_bo_offsets/c/0
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Binary file (782 Bytes). View file
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fullC/p1/5A_elytes/group_000.zarr/pair_loewdin_bo_offsets/zarr.json
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| 26 |
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| 27 |
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| 28 |
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| 29 |
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| 30 |
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|
| 31 |
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|
| 32 |
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|
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| 36 |
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fullC/p1/5A_elytes/group_000.zarr/pair_mayer_bo_index/zarr.json
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| 15 |
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| 17 |
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| 18 |
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| 30 |
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| 33 |
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| 34 |
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| 35 |
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| 39 |
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| 40 |
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| 45 |
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| 60 |
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fullC/p1/5A_elytes/group_000.zarr/pair_mayer_bo_offsets/c/0
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Binary file (770 Bytes). View file
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fullC/p1/5A_elytes/group_000.zarr/pair_mayer_bo_offsets/zarr.json
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fullC/p1/5A_elytes/group_000.zarr/pair_mulliken_ovlp_offsets/c/0
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fullC/p1/5A_elytes/group_000.zarr/pair_mulliken_ovlp_offsets/zarr.json
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@@ -0,0 +1,65 @@
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| 1 |
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fullC/p1/5A_elytes/group_000.zarr/pair_mulliken_ovlp_value/zarr.json
ADDED
|
@@ -0,0 +1,65 @@
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| 1 |
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| 9 |
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| 10 |
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| 11 |
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| 12 |
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| 13 |
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| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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| 18 |
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|
| 19 |
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| 20 |
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| 25 |
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| 26 |
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| 27 |
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| 28 |
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| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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|
| 37 |
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|
| 38 |
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|
| 39 |
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| 40 |
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|
| 41 |
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| 42 |
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| 44 |
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| 45 |
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| 46 |
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| 47 |
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|
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| 55 |
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| 56 |
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| 57 |
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| 58 |
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| 59 |
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| 60 |
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| 61 |
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|
| 62 |
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| 63 |
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fullC/p1/5A_elytes/group_000.zarr/scalar_f8/c/0/0
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Binary file (81 kB). View file
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|
fullC/p1/5A_elytes/group_000.zarr/scalar_i/c/0/0
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fullC/p1/5A_elytes/group_000.zarr/scalar_i/zarr.json
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fullC/p1/5A_elytes/group_000.zarr/vec/c/0/0
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fullC/p1/ml_mo/group_000.zarr/atom_f8/zarr.json
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| 1 |
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| 16 |
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| 30 |
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| 38 |
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| 39 |
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| 40 |
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fullC/p1/ml_mo/group_000.zarr/atom_offsets/c/0
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Binary file (1.53 kB). View file
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fullC/p1/ml_mo/group_000.zarr/atom_offsets/zarr.json
ADDED
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@@ -0,0 +1,65 @@
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|
| 1 |
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{
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| 2 |
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| 16 |
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| 37 |
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fullC/p1/ml_mo/group_000.zarr/atom_shell/zarr.json
ADDED
|
@@ -0,0 +1,68 @@
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| 1 |
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| 2 |
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| 7 |
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| 12 |
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| 14 |
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| 15 |
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| 16 |
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| 17 |
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|
| 18 |
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| 19 |
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| 20 |
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| 21 |
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| 22 |
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| 29 |
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| 30 |
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| 32 |
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| 33 |
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| 34 |
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|
| 35 |
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|
| 36 |
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| 37 |
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| 38 |
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|
| 39 |
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|
| 40 |
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| 41 |
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|
| 42 |
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| 60 |
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fullC/p1/ml_mo/group_000.zarr/atom_z/c/0
ADDED
|
Binary file (12.6 kB). View file
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|
|
fullC/p1/ml_mo/group_000.zarr/atom_z/zarr.json
ADDED
|
@@ -0,0 +1,65 @@
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|
| 1 |
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{
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| 2 |
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fullC/p1/ml_mo/group_000.zarr/pair_loewdin_bo_index/zarr.json
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fullC/p1/ml_mo/group_000.zarr/pair_loewdin_bo_offsets/c/0
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fullC/p1/ml_mo/group_000.zarr/pair_loewdin_bo_offsets/zarr.json
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fullC/p1/ml_mo/group_000.zarr/pair_loewdin_bo_value/zarr.json
ADDED
|
@@ -0,0 +1,65 @@
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| 1 |
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{
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| 5 |
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| 9 |
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| 10 |
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| 11 |
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| 12 |
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| 13 |
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| 14 |
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| 15 |
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|
| 16 |
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| 17 |
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| 18 |
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|
| 19 |
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| 25 |
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| 27 |
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| 28 |
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| 29 |
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| 30 |
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|
| 31 |
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| 32 |
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|
| 33 |
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| 34 |
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| 35 |
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| 36 |
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| 37 |
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| 38 |
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| 39 |
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| 40 |
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| 42 |
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| 45 |
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| 46 |
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| 47 |
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| 53 |
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| 54 |
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| 55 |
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| 56 |
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| 57 |
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| 58 |
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| 59 |
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|
| 60 |
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|
| 61 |
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| 62 |
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| 63 |
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| 64 |
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| 65 |
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fullC/p1/ml_mo/group_000.zarr/pair_mayer_bo_index/zarr.json
ADDED
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@@ -0,0 +1,68 @@
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fullC/p1/ml_mo/group_000.zarr/pair_mayer_bo_offsets/c/0
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fullC/p1/ml_mo/group_000.zarr/pair_mayer_bo_offsets/zarr.json
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@@ -0,0 +1,65 @@
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fullC/p1/ml_mo/group_000.zarr/pair_mayer_bo_value/zarr.json
ADDED
|
@@ -0,0 +1,65 @@
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fullC/p1/ml_mo/group_000.zarr/pair_mulliken_ovlp_index/zarr.json
ADDED
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@@ -0,0 +1,68 @@
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fullC/p1/ml_mo/group_000.zarr/pair_mulliken_ovlp_offsets/c/0
ADDED
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Binary file (1.56 kB). View file
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|
|
fullC/p1/ml_mo/group_000.zarr/pair_mulliken_ovlp_offsets/zarr.json
ADDED
|
@@ -0,0 +1,65 @@
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| 19 |
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| 24 |
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| 25 |
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| 26 |
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| 28 |
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| 29 |
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| 30 |
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| 31 |
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|
| 32 |
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| 33 |
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| 34 |
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| 35 |
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| 36 |
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|
| 37 |
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| 38 |
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|
| 39 |
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| 42 |
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fullC/p1/ml_mo/group_000.zarr/pair_mulliken_ovlp_value/zarr.json
ADDED
|
@@ -0,0 +1,65 @@
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|
| 1 |
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| 13 |
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| 14 |
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| 15 |
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| 16 |
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| 17 |
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| 18 |
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| 30 |
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| 31 |
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| 32 |
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| 35 |
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| 36 |
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fullC/p1/ml_mo/group_000.zarr/scalar_f8/zarr.json
ADDED
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@@ -0,0 +1,68 @@
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| 2 |
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| 12 |
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| 15 |
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| 16 |
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|
| 17 |
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|
| 18 |
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| 19 |
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| 20 |
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| 30 |
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| 32 |
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|
| 33 |
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|
| 34 |
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| 35 |
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| 36 |
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| 37 |
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| 38 |
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| 39 |
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| 40 |
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| 41 |
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| 42 |
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| 43 |
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| 44 |
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| 45 |
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| 48 |
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| 49 |
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| 50 |
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| 64 |
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fullC/p1/ml_mo/group_000.zarr/scalar_i/c/0/0
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Binary file (8.13 kB). View file
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fullC/p1/ml_mo/group_000.zarr/scalar_i/zarr.json
ADDED
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@@ -0,0 +1,68 @@
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| 17 |
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| 45 |
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| 60 |
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| 65 |
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| 66 |
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| 68 |
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|
fullC/p1/ml_mo/group_000.zarr/vec/zarr.json
ADDED
|
@@ -0,0 +1,68 @@
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|
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|
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|
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|
| 1 |
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{
|
| 2 |
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| 3 |
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737,
|
| 4 |
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| 5 |
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| 6 |
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|
| 7 |
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| 8 |
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| 9 |
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| 10 |
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| 11 |
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765,
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| 12 |
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| 13 |
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| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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|
| 18 |
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|
| 19 |
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"separator": "/"
|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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| 25 |
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| 26 |
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| 27 |
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| 28 |
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85,
|
| 29 |
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36
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| 30 |
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| 31 |
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| 32 |
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{
|
| 33 |
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|
| 34 |
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|
| 35 |
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"endian": "little"
|
| 36 |
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|
| 37 |
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|
| 38 |
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{
|
| 39 |
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"name": "blosc",
|
| 40 |
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|
| 41 |
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|
| 42 |
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| 43 |
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|
| 44 |
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| 45 |
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| 46 |
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| 47 |
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| 48 |
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| 49 |
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| 50 |
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| 51 |
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| 55 |
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|
| 56 |
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|
| 57 |
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|
| 58 |
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|
| 59 |
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|
| 60 |
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| 61 |
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| 63 |
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| 64 |
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|
| 65 |
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| 66 |
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| 67 |
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| 68 |
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fullC/p1/ml_mo/group_000.zarr/zarr.json
ADDED
|
The diff for this file is too large to render.
See raw diff
|
|
|
fullC/p1/ml_mo/group_001.zarr/atom_f8/zarr.json
ADDED
|
@@ -0,0 +1,68 @@
|
|
|
|
|
|
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| 30 |
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| 38 |
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| 39 |
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| 40 |
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| 60 |
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fullC/p1/ml_mo/group_001.zarr/atom_offsets/zarr.json
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| 1 |
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| 37 |
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fullC/p1/ml_mo/group_001.zarr/atom_shell/zarr.json
ADDED
|
@@ -0,0 +1,68 @@
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|
| 1 |
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{
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| 2 |
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| 3 |
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| 4 |
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| 6 |
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| 7 |
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| 8 |
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| 12 |
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| 14 |
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| 15 |
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| 16 |
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| 17 |
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| 18 |
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| 19 |
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| 20 |
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| 22 |
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| 28 |
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| 29 |
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| 30 |
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| 31 |
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| 32 |
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| 33 |
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|
| 34 |
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| 35 |
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"endian": "little"
|
| 36 |
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}
|
| 37 |
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|
| 38 |
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|
| 39 |
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|
| 40 |
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|
| 41 |
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| 42 |
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| 43 |
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|
| 44 |
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|
| 45 |
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| 48 |
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| 50 |
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| 56 |
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| 57 |
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| 58 |
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| 60 |
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| 61 |
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| 64 |
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fullC/p1/ml_mo/group_001.zarr/atom_z/c/0
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Binary file (12.8 kB). View file
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|
|
fullC/p1/ml_mo/group_001.zarr/atom_z/zarr.json
ADDED
|
@@ -0,0 +1,65 @@
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|
| 1 |
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| 2 |
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| 15 |
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| 16 |
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| 17 |
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| 18 |
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| 35 |
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| 36 |
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| 37 |
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| 38 |
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| 39 |
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| 40 |
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| 41 |
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| 42 |
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| 53 |
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| 54 |
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| 55 |
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| 56 |
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| 57 |
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| 58 |
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| 59 |
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| 60 |
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| 61 |
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| 62 |
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| 63 |
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fullC/p1/ml_mo/group_001.zarr/flags/c/0/0
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Binary file (941 Bytes). View file
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