Add files using upload-large-folder tool

fullC/p1/droplet/group_000.zarr/atom_f8/zarr.json

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fullC/p1/droplet/group_000.zarr/atom_offsets/zarr.json

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fullC/p1/droplet/group_000.zarr/atom_shell/zarr.json

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fullC/p1/droplet/group_000.zarr/atom_z/zarr.json

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fullC/p1/droplet/group_000.zarr/flags/zarr.json

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fullC/p1/droplet/group_000.zarr/pair_loewdin_bo_index/zarr.json

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fullC/p1/droplet/group_000.zarr/pair_loewdin_bo_offsets/zarr.json

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fullC/p1/droplet/group_000.zarr/pair_loewdin_bo_value/zarr.json

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fullC/p1/droplet/group_000.zarr/pair_mayer_bo_index/zarr.json

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fullC/p1/droplet/group_000.zarr/pair_mayer_bo_offsets/zarr.json

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fullC/p1/droplet/group_000.zarr/pair_mayer_bo_value/zarr.json

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fullC/p1/droplet/group_000.zarr/pair_mulliken_ovlp_index/zarr.json

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fullC/p1/droplet/group_000.zarr/pair_mulliken_ovlp_offsets/zarr.json

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fullC/p1/droplet/group_000.zarr/pair_mulliken_ovlp_value/zarr.json

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fullC/p1/droplet/group_000.zarr/scalar_f8/zarr.json

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+          {
+            "name": "blosc",
+            "configuration": {
+              "typesize": 8,
+              "cname": "zstd",
+              "clevel": 5,
+              "shuffle": "shuffle",
+              "blocksize": 0
+            }
+          }
+        ],
+        "index_codecs": [
+          {
+            "name": "bytes",
+            "configuration": {
+              "endian": "little"
+            }
+          },
+          {
+            "name": "crc32c"
+          }
+        ],
+        "index_location": "end"
+      }
+    }
+  ],
+  "attributes": {},
+  "zarr_format": 3,
+  "node_type": "array",
+  "storage_transformers": []
+}

fullC/p1/droplet/group_000.zarr/scalar_i/zarr.json

@@ -0,0 +1,68 @@
+{
+  "shape": [
+    433,
+    8
+  ],
+  "data_type": "int64",
+  "chunk_grid": {
+    "name": "regular",
+    "configuration": {
+      "chunk_shape": [
+        484,
+        8
+      ]
+    }
+  },
+  "chunk_key_encoding": {
+    "name": "default",
+    "configuration": {
+      "separator": "/"
+    }
+  },
+  "fill_value": 0,
+  "codecs": [
+    {
+      "name": "sharding_indexed",
+      "configuration": {
+        "chunk_shape": [
+          121,
+          8
+        ],
+        "codecs": [
+          {
+            "name": "bytes",
+            "configuration": {
+              "endian": "little"
+            }
+          },
+          {
+            "name": "blosc",
+            "configuration": {
+              "typesize": 8,
+              "cname": "zstd",
+              "clevel": 5,
+              "shuffle": "shuffle",
+              "blocksize": 0
+            }
+          }
+        ],
+        "index_codecs": [
+          {
+            "name": "bytes",
+            "configuration": {
+              "endian": "little"
+            }
+          },
+          {
+            "name": "crc32c"
+          }
+        ],
+        "index_location": "end"
+      }
+    }
+  ],
+  "attributes": {},
+  "zarr_format": 3,
+  "node_type": "array",
+  "storage_transformers": []
+}

fullC/p1/droplet/group_000.zarr/vec/zarr.json

@@ -0,0 +1,68 @@
+{
+  "shape": [
+    433,
+    36
+  ],
+  "data_type": "float64",
+  "chunk_grid": {
+    "name": "regular",
+    "configuration": {
+      "chunk_shape": [
+        484,
+        36
+      ]
+    }
+  },
+  "chunk_key_encoding": {
+    "name": "default",
+    "configuration": {
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+    }
+  },
+  "fill_value": 0.0,
+  "codecs": [
+    {
+      "name": "sharding_indexed",
+      "configuration": {
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+          36
+        ],
+        "codecs": [
+          {
+            "name": "bytes",
+            "configuration": {
+              "endian": "little"
+            }
+          },
+          {
+            "name": "blosc",
+            "configuration": {
+              "typesize": 8,
+              "cname": "zstd",
+              "clevel": 5,
+              "shuffle": "shuffle",
+              "blocksize": 0
+            }
+          }
+        ],
+        "index_codecs": [
+          {
+            "name": "bytes",
+            "configuration": {
+              "endian": "little"
+            }
+          },
+          {
+            "name": "crc32c"
+          }
+        ],
+        "index_location": "end"
+      }
+    }
+  ],
+  "attributes": {},
+  "zarr_format": 3,
+  "node_type": "array",
+  "storage_transformers": []
+}

fullC/p1/droplet/group_000.zarr/zarr.json

@@ -0,0 +1,2614 @@
+{
+  "attributes": {
+    "schema": "omol_elec/pass_a/2",
+    "shells": [
+      "s",
+      "p",
+      "d",
+      "f",
+      "g"
+    ],
+    "scalar_f8_cols": [
+      "e_total",
+      "e_total_engrad",
+      "e_nuc_rep",
+      "e_one_elec",
+      "e_two_elec",
+      "e_kinetic",
+      "virial_ratio",
+      "e_xc",
+      "e_nl",
+      "e_exchange",
+      "n_alpha_int",
+      "n_beta_int",
+      "s2",
+      "s2_ideal",
+      "s2_dev",
+      "conv_denergy",
+      "conv_maxdp",
+      "conv_rmsdp",
+      "conv_diiserr",
+      "smallest_ovlp_eig",
+      "grad_norm",
+      "grad_rms",
+      "grad_max",
+      "run_time_s",
+      "dipole_au",
+      "dipole_debye",
+      "quad_iso",
+      "npa_core",
+      "npa_valence",
+      "npa_rydberg",
+      "nbo_lewis",
+      "nbo_nonlewis",
+      "homo_a",
+      "lumo_a",
+      "gap_a",
+      "homo_b",
+      "lumo_b",
+      "gap_b"
+    ],
+    "scalar_i_cols": [
+      "charge",
+      "mult",
+      "nelec",
+      "nbas",
+      "naux",
+      "n_lindep",
+      "scf_cycles",
+      "n_atoms"
+    ],
+    "flag_cols": [
+      "scf_converged",
+      "terminated_normally",
+      "nbo_available",
+      "npa_available",
+      "is_uhf",
+      "has_fock"
+    ],
+    "vec_cols": [
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+      "dipole_elec_1",
+      "dipole_elec_2",
+      "dipole_nuc_0",
+      "dipole_nuc_1",
+      "dipole_nuc_2",
+      "dipole_total_0",
+      "dipole_total_1",
+      "dipole_total_2",
+      "rot_const_cm_0",
+      "rot_const_cm_1",
+      "rot_const_cm_2",
+      "rot_const_mhz_0",
+      "rot_const_mhz_1",
+      "rot_const_mhz_2",
+      "quad_diag_0",
+      "quad_diag_1",
+      "quad_diag_2",
+      "quad_nuc_0",
+      "quad_nuc_1",
+      "quad_nuc_2",
+      "quad_nuc_3",
+      "quad_nuc_4",
+      "quad_nuc_5",
+      "quad_elec_0",
+      "quad_elec_1",
+      "quad_elec_2",
+      "quad_elec_3",
+      "quad_elec_4",
+      "quad_elec_5",
+      "quad_total_0",
+      "quad_total_1",
+      "quad_total_2",
+      "quad_total_3",
+      "quad_total_4",
+      "quad_total_5"
+    ],
+    "atom_f8_cols": [
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+      "coords_y",
+      "coords_z",
+      "forces_x",
+      "forces_y",
+      "forces_z",
+      "mulliken_q",
+      "mulliken_s",
+      "loewdin_q",
+      "loewdin_s",
+      "mayer_NA",
+      "mayer_ZA",
+      "mayer_QA",
+      "mayer_VA",
+      "mayer_BVA",
+      "mayer_FA",
+      "npa_q",
+      "npa_atom_core",
+      "npa_atom_val",
+      "npa_atom_ryd",
+      "npa_spin"
+    ],
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+      "mulliken_shell_q_p",
+      "mulliken_shell_q_d",
+      "mulliken_shell_q_f",
+      "mulliken_shell_q_g",
+      "mulliken_shell_s_s",
+      "mulliken_shell_s_p",
+      "mulliken_shell_s_d",
+      "mulliken_shell_s_f",
+      "mulliken_shell_s_g",
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+      "loewdin_shell_s_d",
+      "loewdin_shell_s_f",
+      "loewdin_shell_s_g",
+      "natural_config_s",
+      "natural_config_p",
+      "natural_config_d",
+      "natural_config_f",
+      "natural_config_g"
+    ],
+    "pair_names": [
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+      "loewdin_bo",
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fullC/p1/electrolytes_reactivity/group_000.zarr/atom_f8/zarr.json

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fullC/p1/electrolytes_reactivity/group_000.zarr/atom_offsets/zarr.json

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fullC/p1/electrolytes_reactivity/group_000.zarr/atom_shell/zarr.json

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fullC/p1/electrolytes_reactivity/group_000.zarr/atom_z/zarr.json

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fullC/p1/electrolytes_reactivity/group_000.zarr/flags/zarr.json

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fullC/p1/electrolytes_reactivity/group_000.zarr/pair_loewdin_bo_index/zarr.json

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fullC/p1/electrolytes_reactivity/group_000.zarr/pair_loewdin_bo_offsets/zarr.json

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fullC/p1/electrolytes_reactivity/group_000.zarr/pair_loewdin_bo_value/zarr.json

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fullC/p1/electrolytes_reactivity/group_000.zarr/pair_mayer_bo_index/zarr.json

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fullC/p1/electrolytes_reactivity/group_000.zarr/pair_mayer_bo_offsets/zarr.json

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fullC/p1/electrolytes_reactivity/group_000.zarr/pair_mayer_bo_value/zarr.json

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fullC/p1/electrolytes_reactivity/group_000.zarr/pair_mulliken_ovlp_index/zarr.json

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fullC/p1/electrolytes_reactivity/group_000.zarr/pair_mulliken_ovlp_offsets/zarr.json

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