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Update README.md

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  1. README.md +3 -3
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@@ -159,7 +159,7 @@ The final artifact passed streaming standard-JSON parsing, non-finite-value chec
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  | File | Size | SHA-256 |
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  |---|---:|---|
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- | `wb97m_v_organic_argonne_public_2026-08-16.json` | 3,266,960,267 bytes | `e1abc9a68ca2a782d9bf0c9605325a9be67607c68e394f7b365df529599cffeb` |
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  The artifact is standard JSON, not JSON Lines. It uses an identity-grouped envelope rather than storing one independent object per line:
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@@ -271,7 +271,7 @@ root
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  | `cds_correction` | number | Hartree | Always `0.0`; CDS is the cavitation–dispersion–solvent-structure correction. |
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  | `perform_opt` | boolean | — | Always `false`; no DFT geometry optimization was performed. |
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  | `thermo` | boolean | — | Always `false`; no Hessian/frequency thermochemistry was requested. |
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- | `protocol_id` | string | — | Foreign key into `metadata.calculation_protocols`; here `argonne_dev_crux_0153337`. |
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  | `time` | number, optional | seconds | Reported total calculation timing diagnostic. |
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  | `pyscf_time` | number, optional | seconds | Reported PySCF-stage timing diagnostic. |
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  | `memory_usage_mb` | number, optional | MB | Reported memory-use diagnostic. |
@@ -307,7 +307,7 @@ import ijson
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  path = hf_hub_download(
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  repo_id="chembricks/WB96MV-ORGANIC",
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- filename="wb97m_v_organic_argonne_public_2026-08-16.json",
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  repo_type="dataset",
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  )
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  | File | Size | SHA-256 |
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  |---|---:|---|
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+ | `wb97m_v_organic_public_2026-08-16.json` | 3,266,960,267 bytes | `e1abc9a68ca2a782d9bf0c9605325a9be67607c68e394f7b365df529599cffeb` |
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  The artifact is standard JSON, not JSON Lines. It uses an identity-grouped envelope rather than storing one independent object per line:
165
 
 
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  | `cds_correction` | number | Hartree | Always `0.0`; CDS is the cavitation–dispersion–solvent-structure correction. |
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  | `perform_opt` | boolean | — | Always `false`; no DFT geometry optimization was performed. |
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  | `thermo` | boolean | — | Always `false`; no Hessian/frequency thermochemistry was requested. |
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+ | `protocol_id` | string | — | Foreign key into `metadata.calculation_protocols`; here `dev_crux_0153337`. |
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  | `time` | number, optional | seconds | Reported total calculation timing diagnostic. |
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  | `pyscf_time` | number, optional | seconds | Reported PySCF-stage timing diagnostic. |
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  | `memory_usage_mb` | number, optional | MB | Reported memory-use diagnostic. |
 
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  path = hf_hub_download(
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  repo_id="chembricks/WB96MV-ORGANIC",
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+ filename="wb97m_v_organic_public_2026-08-16.json",
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  repo_type="dataset",
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  )
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