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new file mode 100644
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--- /dev/null
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new file mode 100644
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--- /dev/null
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diff --git a/fullC/p2/dna/group_000.zarr/eps_b/zarr.json b/fullC/p2/dna/group_000.zarr/eps_b/zarr.json
new file mode 100644
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diff --git a/fullC/p2/dna/group_000.zarr/eps_b_offsets/zarr.json b/fullC/p2/dna/group_000.zarr/eps_b_offsets/zarr.json
new file mode 100644
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--- /dev/null
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new file mode 100644
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\ No newline at end of file
diff --git a/fullC/p2/dna/group_000.zarr/gbw_eps_a/zarr.json b/fullC/p2/dna/group_000.zarr/gbw_eps_a/zarr.json
new file mode 100644
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new file mode 100644
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--- /dev/null
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diff --git a/fullC/p2/dna/group_000.zarr/gbw_occ_a/zarr.json b/fullC/p2/dna/group_000.zarr/gbw_occ_a/zarr.json
new file mode 100644
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diff --git a/fullC/p2/dna/group_000.zarr/gbw_occ_b/zarr.json b/fullC/p2/dna/group_000.zarr/gbw_occ_b/zarr.json
new file mode 100644
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+            "name": "blosc",
+            "configuration": {
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+              "cname": "zstd",
+              "clevel": 5,
+              "shuffle": "shuffle",
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+            }
+          }
+        ],
+        "index_codecs": [
+          {
+            "name": "bytes",
+            "configuration": {
+              "endian": "little"
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+          }
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+        "index_location": "end"
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+  ],
+  "attributes": {},
+  "zarr_format": 3,
+  "node_type": "array",
+  "storage_transformers": []
+}
\ No newline at end of file
diff --git a/fullC/p2/dna/group_000.zarr/mo_f8/zarr.json b/fullC/p2/dna/group_000.zarr/mo_f8/zarr.json
new file mode 100644
index 0000000000000000000000000000000000000000..cb52fb31f8f2cbe276f9a0da91fcd844b170f13f
--- /dev/null
+++ b/fullC/p2/dna/group_000.zarr/mo_f8/zarr.json
@@ -0,0 +1,68 @@
+{
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+            }
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+          {
+            "name": "blosc",
+            "configuration": {
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+              "cname": "zstd",
+              "clevel": 5,
+              "shuffle": "shuffle",
+              "blocksize": 0
+            }
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+        ],
+        "index_codecs": [
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+            "name": "bytes",
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+              "endian": "little"
+            }
+          },
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+          }
+        ],
+        "index_location": "end"
+      }
+    }
+  ],
+  "attributes": {},
+  "zarr_format": 3,
+  "node_type": "array",
+  "storage_transformers": []
+}
\ No newline at end of file
diff --git a/fullC/p2/dna/group_000.zarr/occ_a/zarr.json b/fullC/p2/dna/group_000.zarr/occ_a/zarr.json
new file mode 100644
index 0000000000000000000000000000000000000000..6d25765f32648deb3d124192ffd0b21b09d2c5b7
--- /dev/null
+++ b/fullC/p2/dna/group_000.zarr/occ_a/zarr.json
@@ -0,0 +1,65 @@
+{
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+    1346287
+  ],
+  "data_type": "float64",
+  "chunk_grid": {
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+    "configuration": {
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+        1425290
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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": []
+}
\ No newline at end of file
diff --git a/fullC/p2/dna/group_000.zarr/pair_loewdin_bo_index/zarr.json b/fullC/p2/dna/group_000.zarr/pair_loewdin_bo_index/zarr.json
new file mode 100644
index 0000000000000000000000000000000000000000..506c57690247f11d88a8a8bfa43a3fe60aedb848
--- /dev/null
+++ b/fullC/p2/dna/group_000.zarr/pair_loewdin_bo_index/zarr.json
@@ -0,0 +1,68 @@
+{
+  "shape": [
+    173490,
+    2
+  ],
+  "data_type": "int32",
+  "chunk_grid": {
+    "name": "regular",
+    "configuration": {
+      "chunk_shape": [
+        184710,
+        2
+      ]
+    }
+  },
+  "chunk_key_encoding": {
+    "name": "default",
+    "configuration": {
+      "separator": "/"
+    }
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+  "fill_value": 0,
+  "codecs": [
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+          2
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+          {
+            "name": "bytes",
+            "configuration": {
+              "endian": "little"
+            }
+          },
+          {
+            "name": "blosc",
+            "configuration": {
+              "typesize": 4,
+              "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": []
+}
\ No newline at end of file
diff --git a/fullC/p2/dna/group_000.zarr/pair_loewdin_bo_value/zarr.json b/fullC/p2/dna/group_000.zarr/pair_loewdin_bo_value/zarr.json
new file mode 100644
index 0000000000000000000000000000000000000000..2d1b791216a7c24e0484ebef89e94b38ad125913
--- /dev/null
+++ b/fullC/p2/dna/group_000.zarr/pair_loewdin_bo_value/zarr.json
@@ -0,0 +1,65 @@
+{
+  "shape": [
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+  ],
+  "data_type": "float32",
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+    "configuration": {
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+      ]
+    }
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+  "chunk_key_encoding": {
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+            "name": "bytes",
+            "configuration": {
+              "endian": "little"
+            }
+          },
+          {
+            "name": "blosc",
+            "configuration": {
+              "typesize": 4,
+              "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": []
+}
\ No newline at end of file
diff --git a/fullC/p2/dna/group_000.zarr/pair_mayer_bo_value/zarr.json b/fullC/p2/dna/group_000.zarr/pair_mayer_bo_value/zarr.json
new file mode 100644
index 0000000000000000000000000000000000000000..86e9c3a931a5afcfd52afc508472440bb448e5a6
--- /dev/null
+++ b/fullC/p2/dna/group_000.zarr/pair_mayer_bo_value/zarr.json
@@ -0,0 +1,65 @@
+{
+  "shape": [
+    90236
+  ],
+  "data_type": "float32",
+  "chunk_grid": {
+    "name": "regular",
+    "configuration": {
+      "chunk_shape": [
+        96025
+      ]
+    }
+  },
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+    "name": "default",
+    "configuration": {
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+            "name": "bytes",
+            "configuration": {
+              "endian": "little"
+            }
+          },
+          {
+            "name": "blosc",
+            "configuration": {
+              "typesize": 4,
+              "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": []
+}
\ No newline at end of file
diff --git a/fullC/p2/dna/group_000.zarr/pair_mulliken_ovlp_index/zarr.json b/fullC/p2/dna/group_000.zarr/pair_mulliken_ovlp_index/zarr.json
new file mode 100644
index 0000000000000000000000000000000000000000..9ead5539e1ec668e11d2a3429ef18e7795b9b22c
--- /dev/null
+++ b/fullC/p2/dna/group_000.zarr/pair_mulliken_ovlp_index/zarr.json
@@ -0,0 +1,68 @@
+{
+  "shape": [
+    287438,
+    2
+  ],
+  "data_type": "int32",
+  "chunk_grid": {
+    "name": "regular",
+    "configuration": {
+      "chunk_shape": [
+        306635,
+        2
+      ]
+    }
+  },
+  "chunk_key_encoding": {
+    "name": "default",
+    "configuration": {
+      "separator": "/"
+    }
+  },
+  "fill_value": 0,
+  "codecs": [
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+      "configuration": {
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+          2
+        ],
+        "codecs": [
+          {
+            "name": "bytes",
+            "configuration": {
+              "endian": "little"
+            }
+          },
+          {
+            "name": "blosc",
+            "configuration": {
+              "typesize": 4,
+              "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": []
+}
\ No newline at end of file
diff --git a/fullC/p2/dna/group_000.zarr/scalar_f8/zarr.json b/fullC/p2/dna/group_000.zarr/scalar_f8/zarr.json
new file mode 100644
index 0000000000000000000000000000000000000000..317fb02d0057be21b3d23467cbe0fe736534f6a8
--- /dev/null
+++ b/fullC/p2/dna/group_000.zarr/scalar_f8/zarr.json
@@ -0,0 +1,68 @@
+{
+  "shape": [
+    585,
+    38
+  ],
+  "data_type": "float64",
+  "chunk_grid": {
+    "name": "regular",
+    "configuration": {
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+        610,
+        38
+      ]
+    }
+  },
+  "chunk_key_encoding": {
+    "name": "default",
+    "configuration": {
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+    }
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+  "fill_value": 0.0,
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+        "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": []
+}
\ No newline at end of file
diff --git a/fullC/p2/dna/group_000.zarr/vec/zarr.json b/fullC/p2/dna/group_000.zarr/vec/zarr.json
new file mode 100644
index 0000000000000000000000000000000000000000..8273edc2392af1a75df7366faff0e5bfdc2a0e3c
--- /dev/null
+++ b/fullC/p2/dna/group_000.zarr/vec/zarr.json
@@ -0,0 +1,68 @@
+{
+  "shape": [
+    585,
+    36
+  ],
+  "data_type": "float64",
+  "chunk_grid": {
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+        36
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+    }
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+  "chunk_key_encoding": {
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+    "configuration": {
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+            "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": []
+}
\ No newline at end of file
diff --git a/fullC/p2/dna/group_000.zarr/zarr.json b/fullC/p2/dna/group_000.zarr/zarr.json
new file mode 100644
index 0000000000000000000000000000000000000000..8325e83b33bc130403183f8f921ebc7d7557dce1
--- /dev/null
+++ b/fullC/p2/dna/group_000.zarr/zarr.json
@@ -0,0 +1,4720 @@
+{
+  "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": [
+      "dipole_elec_0",
+      "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": [
+      "coords_x",
+      "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"
+    ],
+    "atom_shell_cols": [
+      "mulliken_shell_q_s",
+      "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",
+      "loewdin_shell_q_s",
+      "loewdin_shell_q_p",
+      "loewdin_shell_q_d",
+      "loewdin_shell_q_f",
+      "loewdin_shell_q_g",
+      "loewdin_shell_s_s",
+      "loewdin_shell_s_p",
+      "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": [
+      "mayer_bo",
+      "loewdin_bo",
+      "mulliken_ovlp"
+    ],
+    "dataset": "dna",
+    "has_matrices": true,
+    "has_mo": true,
+    "mo_schema": "omol_elec/pass_b1/2",
+    "mo_dtype": "f4",
+    "mo_i_cols": [
+      "nocc_a",
+      "nocc_b",
+      "gbw_nbas",
+      "gbw_nop"
+    ],
+    "mo_f8_cols": [
+      "occ_sum_a",
+      "occ_sum_b",
+      "eps_err_a",
+      "eps_err_b",
+      "fc_offdiag_a",
+      "fc_offdiag_b",
+      "fc_diag_err_a",
+      "fc_diag_err_b",
+      "fc_bound_a",
+      "fc_bound_b"
+    ],
+    "mo_flag_cols": [
+      "gbw_found",
+      "nbas_match",
+      "nspin_match",
+      "nelec_match",
+      "spin_match",
+      "eps_checked",
+      "eps_match",
+      "occ_contiguous",
+      "fock_checked",
+      "fock_match",
+      "mo_ok"
+    ],
+    "mo_layout": "cmo_x[o[i]:o[i+1]].reshape(nbas, nbas) = C^T (row k = MO k over AOs, ORCA AO order); occupied MOs are the first nocc_x rows",
+    "mo_content": "full",
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+      "dna/3mlp_D17_S-_frame1_-1_1",
+      "dna/7l4f_E11_E_frame0_-3_1",
+      "dna/6wmu_H29_--_frame9_-2_1",
+      "dna/1n39_C17_S-_frame1_-1_1",
+      "dna/1s97_I15_S--_frame9_-3_1",
+      "dna/1sax_D8_--_frame1_-2_1",
+      "dna/7ena_Y-18_S-_frame0_0_1",
+      "dna/1ma7_D3_S--_frame0_-1_1",
+      "dna/5gq9_C3_S--_frame7_-3_1",
+      "dna/8ea3_1-17_S-_frame0_-1_1",
+      "dna/3zqc_I30_--_frame1_-2_1",
+      "dna/7z9k_G20_--_frame1_-1_1",
+      "dna/8e6x_610_S--_frame1_-2_1",
+      "dna/5w5y_T39_--_frame0_-3_1",
+      "dna/5kkq_F10_--_frame1_-2_1",
+      "dna/6r8y_I43_E-_frame0_-4_1",
+      "dna/3gij_H1804_S--_frame0_-2_1",
+      "dna/5avc_J-39_S-_frame1_-1_1",
+      "dna/8hnv_C10_E-_frame9_-4_1",
+      "dna/3rji_T9_S-_frame1_1_1",
+      "dna/6lwa_I6_S-_frame1_0_1",
+      "dna/8hxy_J80_S-_frame6_0_1",
+      "dna/4p0r_F25_S-_frame1_-1_1",
+      "dna/2xkk_E22_S-_frame1_-1_1",
+      "dna/7pik_L44_E_frame1_-3_1",
+      "dna/6w1a_E22_S-_frame0_-1_1",
+      "dna/2r8j_T8_S-_frame0_-1_1",
+      "dna/1f2i_E5009_S--_frame1_-2_1",
+      "dna/7cr8_P25_S--_frame9_-2_1",
+      "dna/1r0n_D21_S--_frame9_-2_1",
+      "dna/5b40_I16_E-_frame1_-4_1",
+      "dna/4f3o_F9_S--_frame1_-2_1",
+      "dna/6a5u_T-53_--_frame1_-2_1",
+      "dna/6d92_G-8_S-_frame0_0_1",
+      "dna/6lwm_C4_S--_frame9_-2_1",
+      "dna/8fyb_J38_S--_frame1_-2_1",
+      "dna/8ham_J106_S--_frame9_0_1",
+      "dna/4j9q_T8_S-_frame0_0_1",
+      "dna/7edx_Y-16_E_frame1_-3_1",
+      "dna/1p3m_I142_S--_frame0_-2_1",
+      "dna/8reb_N-26_S-_frame9_0_1",
+      "dna/3pw7_F383_S--_frame1_-2_1",
+      "dna/8wan_Y21_E_frame0_0_1",
+      "dna/5dfj_V17_--_frame9_-2_1",
+      "dna/6c1t_C10_--_frame1_-2_1",
+      "dna/8a40_T11_E_frame0_-3_1",
+      "dna/6w8b_M431_S--_frame0_-3_1",
+      "dna/6ryr_I33_S--_frame0_-3_1",
+      "dna/8fn7_E25_S-_frame9_0_1",
+      "dna/5ms0_J24_E_frame9_-3_1",
+      "dna/7yrd_I59_S--_frame1_-2_1",
+      "dna/2irf_D1101_S-_frame0_-1_1",
+      "dna/6jus_C873_E_frame1_-2_1",
+      "dna/7x5k_B9_E_frame0_-3_1",
+      "dna/6vvz_O62_S--_frame9_-1_1",
+      "dna/7mkd_Q37_S-_frame9_0_1",
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+      "dna/8ol1_J128_S--_frame1_-2_1",
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+      "dna/7xct_I51_S-_frame0_1_1",
+      "dna/5l0m_B108_S-_frame1_-1_1",
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+      "dna/5vpf_H15_E_frame0_-3_1",
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+      "dna/8eos_T5_S--_frame1_-2_1",
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+      "dna/6o8e_F17_S-_frame1_-2_1",
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+      "dna/5d4e_S4_E-_frame0_-3_1",
+      "dna/7ad8_J25_S-_frame1_-1_1",
+      "dna/5btc_F14_E_frame1_-3_1",
+      "dna/5h3r_D14_S-_frame9_-1_1",
+      "dna/7z9k_E5_--_frame0_-1_1",
+      "dna/7qnz_I26_S--_frame0_-2_1",
+      "dna/7rcf_B15_S--_frame1_-2_1",
+      "dna/7k19_D15_S--_frame0_-2_1",
+      "dna/6rja_H11_E_frame1_-3_1",
+      "dna/4fth_C11_E_frame1_-3_1",
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+      "dna/3thw_D37_S-_frame1_-1_1",
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+      "dna/4rzr_F3_E_frame9_-3_1",
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+      "dna/8fcu_N8_S--_frame0_-2_1",
+      "dna/6vgm_T15_E_frame1_-3_1"
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new file mode 100644
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--- /dev/null
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new file mode 100644
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--- /dev/null
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diff --git a/fullC/p2/pdb_fragments_400K/group_001.zarr/gbw_eps_b_offsets/zarr.json b/fullC/p2/pdb_fragments_400K/group_001.zarr/gbw_eps_b_offsets/zarr.json
new file mode 100644
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new file mode 100644
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diff --git a/fullC/p2/pdb_fragments_400K/group_001.zarr/pair_loewdin_bo_index/zarr.json b/fullC/p2/pdb_fragments_400K/group_001.zarr/pair_loewdin_bo_index/zarr.json
new file mode 100644
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diff --git a/fullC/p2/pdb_fragments_400K/group_001.zarr/pair_mayer_bo_offsets/c/0 b/fullC/p2/pdb_fragments_400K/group_001.zarr/pair_mayer_bo_offsets/c/0
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Binary files /dev/null and b/fullC/p2/pdb_fragments_400K/group_001.zarr/pair_mayer_bo_offsets/c/0 differ
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diff --git a/fullC/p2/pdb_fragments_400K/group_001.zarr/pair_mayer_bo_value/zarr.json b/fullC/p2/pdb_fragments_400K/group_001.zarr/pair_mayer_bo_value/zarr.json
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diff --git a/fullC/p2/pdb_fragments_400K/group_001.zarr/pair_mulliken_ovlp_index/zarr.json b/fullC/p2/pdb_fragments_400K/group_001.zarr/pair_mulliken_ovlp_index/zarr.json
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diff --git a/fullC/p2/pdb_fragments_400K/group_001.zarr/pair_mulliken_ovlp_offsets/c/0 b/fullC/p2/pdb_fragments_400K/group_001.zarr/pair_mulliken_ovlp_offsets/c/0
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Binary files /dev/null and b/fullC/p2/pdb_fragments_400K/group_001.zarr/pair_mulliken_ovlp_offsets/c/0 differ
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diff --git a/fullC/p2/pdb_fragments_400K/group_001.zarr/pair_mulliken_ovlp_value/zarr.json b/fullC/p2/pdb_fragments_400K/group_001.zarr/pair_mulliken_ovlp_value/zarr.json
new file mode 100644
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diff --git a/fullC/p2/pdb_fragments_400K/group_001.zarr/scalar_f8/zarr.json b/fullC/p2/pdb_fragments_400K/group_001.zarr/scalar_f8/zarr.json
new file mode 100644
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--- /dev/null
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Binary files /dev/null and b/fullC/p2/pdb_fragments_400K/group_001.zarr/scalar_i/c/0/0 differ
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diff --git a/fullC/p2/pdb_fragments_400K/group_001.zarr/vec/zarr.json b/fullC/p2/pdb_fragments_400K/group_001.zarr/vec/zarr.json
new file mode 100644
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new file mode 100644
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new file mode 100644
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diff --git a/fullC/p2/pdb_fragments_400K/group_002.zarr/pair_mayer_bo_value/zarr.json b/fullC/p2/pdb_fragments_400K/group_002.zarr/pair_mayer_bo_value/zarr.json
new file mode 100644
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diff --git a/fullC/p2/pdb_fragments_400K/group_002.zarr/pair_mulliken_ovlp_index/zarr.json b/fullC/p2/pdb_fragments_400K/group_002.zarr/pair_mulliken_ovlp_index/zarr.json
new file mode 100644
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diff --git a/fullC/p2/pdb_fragments_400K/group_002.zarr/pair_mulliken_ovlp_offsets/c/0 b/fullC/p2/pdb_fragments_400K/group_002.zarr/pair_mulliken_ovlp_offsets/c/0
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Binary files /dev/null and b/fullC/p2/pdb_fragments_400K/group_002.zarr/pair_mulliken_ovlp_offsets/c/0 differ
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new file mode 100644
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diff --git a/fullC/p2/pdb_fragments_400K/group_002.zarr/pair_mulliken_ovlp_value/zarr.json b/fullC/p2/pdb_fragments_400K/group_002.zarr/pair_mulliken_ovlp_value/zarr.json
new file mode 100644
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diff --git a/fullC/p2/pdb_fragments_400K/group_002.zarr/scalar_f8/zarr.json b/fullC/p2/pdb_fragments_400K/group_002.zarr/scalar_f8/zarr.json
new file mode 100644
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--- /dev/null
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Binary files /dev/null and b/fullC/p2/pdb_fragments_400K/group_002.zarr/scalar_i/c/0/0 differ
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new file mode 100644
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diff --git a/fullC/p2/pdb_fragments_400K/group_002.zarr/vec/zarr.json b/fullC/p2/pdb_fragments_400K/group_002.zarr/vec/zarr.json
new file mode 100644
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--- /dev/null
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\ No newline at end of file