{"bundle_type":"pith_open_graph_bundle","bundle_version":"1.0","pith_number":"pith:2013:IVLHQGNAUPXHUY6QDCFNGCVOOY","short_pith_number":"pith:IVLHQGNA","canonical_record":{"source":{"id":"1301.5564","kind":"arxiv","version":1},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2013-01-23T16:56:43Z","cross_cats_sorted":["physics.comp-ph"],"title_canon_sha256":"6367a6a88749ca6fde9d27fde92f3b44490bfa57b3d6ac330b7eeff66cce0015","abstract_canon_sha256":"e85630debce19c5c931e2a46d67d2853208381a078314cf0490cca7434784984"},"schema_version":"1.0"},"canonical_sha256":"45567819a0a3ee7a63d0188ad30aae76291996f51824eda86648d4c5e905ab73","source":{"kind":"arxiv","id":"1301.5564","version":1},"source_aliases":[{"alias_kind":"arxiv","alias_value":"1301.5564","created_at":"2026-05-18T03:10:14Z"},{"alias_kind":"arxiv_version","alias_value":"1301.5564v1","created_at":"2026-05-18T03:10:14Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.1301.5564","created_at":"2026-05-18T03:10:14Z"},{"alias_kind":"pith_short_12","alias_value":"IVLHQGNAUPXH","created_at":"2026-05-18T12:27:49Z"},{"alias_kind":"pith_short_16","alias_value":"IVLHQGNAUPXHUY6Q","created_at":"2026-05-18T12:27:49Z"},{"alias_kind":"pith_short_8","alias_value":"IVLHQGNA","created_at":"2026-05-18T12:27:49Z"}],"events":[{"event_type":"record_created","subject_pith_number":"pith:2013:IVLHQGNAUPXHUY6QDCFNGCVOOY","target":"record","payload":{"canonical_record":{"source":{"id":"1301.5564","kind":"arxiv","version":1},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2013-01-23T16:56:43Z","cross_cats_sorted":["physics.comp-ph"],"title_canon_sha256":"6367a6a88749ca6fde9d27fde92f3b44490bfa57b3d6ac330b7eeff66cce0015","abstract_canon_sha256":"e85630debce19c5c931e2a46d67d2853208381a078314cf0490cca7434784984"},"schema_version":"1.0"},"canonical_sha256":"45567819a0a3ee7a63d0188ad30aae76291996f51824eda86648d4c5e905ab73","receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-05-18T03:10:14.467832Z","signature_b64":"1TjzyZzmw0gqL2MeE58BHog/BKYKfpQKZU8GL8Hk0JS1VEMv/bsQk0Zy4Q2SDVAcQ4fdL3zzTAqDBTPZ4bDTCw==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"45567819a0a3ee7a63d0188ad30aae76291996f51824eda86648d4c5e905ab73","last_reissued_at":"2026-05-18T03:10:14.466875Z","signature_status":"signed_v1","first_computed_at":"2026-05-18T03:10:14.466875Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"source_kind":"arxiv","source_id":"1301.5564","source_version":1,"attestation_state":"computed"},"signer":{"signer_id":"pith.science","signer_type":"pith_registry","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"created_at":"2026-05-18T03:10:14Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"+GvpQVrjd/y6BlvGeaPk9XajXaILX2yabcW29xh1OBSAP3UNhsIWeD+91YotLCKJlf11OylWD+Ks44fl9ccaAA==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-05-26T17:05:37.787633Z"},"content_sha256":"edafdea93d2d2aecfa38fb70c103471eba6a12f78b52385873f75215a1f8e385","schema_version":"1.0","event_id":"sha256:edafdea93d2d2aecfa38fb70c103471eba6a12f78b52385873f75215a1f8e385"},{"event_type":"graph_snapshot","subject_pith_number":"pith:2013:IVLHQGNAUPXHUY6QDCFNGCVOOY","target":"graph","payload":{"graph_snapshot":{"paper":{"title":"Comment on \"First-principles study of the influence of (110)-oriented strain on the ferroelectric properties of rutile TiO2\" [arXiv:1106.2820]","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":["physics.comp-ph"],"primary_cat":"cond-mat.mtrl-sci","authors_text":"Barbara Montanari, Keith Refson, Kersti Hermansson, Nicholas M. Harrison, Pavlin D. Mitev","submitted_at":"2013-01-23T16:56:43Z","abstract_excerpt":"In a recent article, Gr\\\"{u}nebohm et al. [Phys. Rev. B 84 132105 (2011), arXiv:1106.2820] report that they fail to reproduce the A2u ferroelectric instability of TiO2 in the rutile structure calculated with density functional theory within the PBE-GGA approximation by Montanari et al. [Chem. Phys. Lett 364, 528 (2002)]. We demonstrate that this disagreement arises from an erroneous treatment of Ti 3s and 3p semi-core electrons as core in their calculations. Fortuitously the effect of the frozen semi-core pseudopotential cancels the phonon instability of the PBE exchange-correlation, and the c"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1301.5564","kind":"arxiv","version":1},"verdict":{"id":null,"model_set":{},"created_at":null,"strongest_claim":"","one_line_summary":"","pipeline_version":null,"weakest_assumption":"","pith_extraction_headline":""},"references":{"count":0,"sample":[],"resolved_work":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57","internal_anchors":0},"formal_canon":{"evidence_count":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"author_claims":{"count":0,"strong_count":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"builder_version":"pith-number-builder-2026-05-17-v1"},"verdict_id":null},"signer":{"signer_id":"pith.science","signer_type":"pith_registry","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"created_at":"2026-05-18T03:10:14Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"mrw2yWeYPDGwX8cTtZqd1autx4RAn6w6EZyrdY9fS6CFUSWj6ivYcVXB3g/SwwXA3GqdFSEqvaqek+27sUSLDw==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-05-26T17:05:37.788328Z"},"content_sha256":"869270818338ffe77fcc6c3352e984f5515d7f3082413f6dbfb8f7e38eb56f0f","schema_version":"1.0","event_id":"sha256:869270818338ffe77fcc6c3352e984f5515d7f3082413f6dbfb8f7e38eb56f0f"}],"timestamp_proofs":[],"mirror_hints":[{"mirror_type":"https","name":"Pith Resolver","base_url":"https://pith.science","bundle_url":"https://pith.science/pith/IVLHQGNAUPXHUY6QDCFNGCVOOY/bundle.json","state_url":"https://pith.science/pith/IVLHQGNAUPXHUY6QDCFNGCVOOY/state.json","well_known_bundle_url":"https://pith.science/.well-known/pith/IVLHQGNAUPXHUY6QDCFNGCVOOY/bundle.json","status":"primary"}],"public_keys":[{"key_id":"pith-v1-2026-05","algorithm":"ed25519","format":"raw","public_key_b64":"stVStoiQhXFxp4s2pdzPNoqVNBMojDU/fJ2db5S3CbM=","public_key_hex":"b2d552b68890857171a78b36a5dccf368a953413288c353f7c9d9d6f94b709b3","fingerprint_sha256_b32_first128bits":"RVFV5Z2OI2J3ZUO7ERDEBCYNKS","fingerprint_sha256_hex":"8d4b5ee74e4693bcd1df2446408b0d54","rotates_at":null,"url":"https://pith.science/pith-signing-key.json","notes":"Pith uses this Ed25519 key to sign canonical record SHA-256 digests. Verify with: ed25519_verify(public_key, message=canonical_sha256_bytes, signature=base64decode(signature_b64))."}],"merge_version":"pith-open-graph-merge-v1","built_at":"2026-05-26T17:05:37Z","links":{"resolver":"https://pith.science/pith/IVLHQGNAUPXHUY6QDCFNGCVOOY","bundle":"https://pith.science/pith/IVLHQGNAUPXHUY6QDCFNGCVOOY/bundle.json","state":"https://pith.science/pith/IVLHQGNAUPXHUY6QDCFNGCVOOY/state.json","well_known_bundle":"https://pith.science/.well-known/pith/IVLHQGNAUPXHUY6QDCFNGCVOOY/bundle.json"},"state":{"state_type":"pith_open_graph_state","state_version":"1.0","pith_number":"pith:2013:IVLHQGNAUPXHUY6QDCFNGCVOOY","merge_version":"pith-open-graph-merge-v1","event_count":2,"valid_event_count":2,"invalid_event_count":0,"equivocation_count":0,"current":{"canonical_record":{"metadata":{"abstract_canon_sha256":"e85630debce19c5c931e2a46d67d2853208381a078314cf0490cca7434784984","cross_cats_sorted":["physics.comp-ph"],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2013-01-23T16:56:43Z","title_canon_sha256":"6367a6a88749ca6fde9d27fde92f3b44490bfa57b3d6ac330b7eeff66cce0015"},"schema_version":"1.0","source":{"id":"1301.5564","kind":"arxiv","version":1}},"source_aliases":[{"alias_kind":"arxiv","alias_value":"1301.5564","created_at":"2026-05-18T03:10:14Z"},{"alias_kind":"arxiv_version","alias_value":"1301.5564v1","created_at":"2026-05-18T03:10:14Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.1301.5564","created_at":"2026-05-18T03:10:14Z"},{"alias_kind":"pith_short_12","alias_value":"IVLHQGNAUPXH","created_at":"2026-05-18T12:27:49Z"},{"alias_kind":"pith_short_16","alias_value":"IVLHQGNAUPXHUY6Q","created_at":"2026-05-18T12:27:49Z"},{"alias_kind":"pith_short_8","alias_value":"IVLHQGNA","created_at":"2026-05-18T12:27:49Z"}],"graph_snapshots":[{"event_id":"sha256:869270818338ffe77fcc6c3352e984f5515d7f3082413f6dbfb8f7e38eb56f0f","target":"graph","created_at":"2026-05-18T03:10:14Z","signer":{"key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signer_id":"pith.science","signer_type":"pith_registry"},"payload":{"graph_snapshot":{"author_claims":{"count":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57","strong_count":0},"builder_version":"pith-number-builder-2026-05-17-v1","claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"formal_canon":{"evidence_count":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"paper":{"abstract_excerpt":"In a recent article, Gr\\\"{u}nebohm et al. [Phys. Rev. B 84 132105 (2011), arXiv:1106.2820] report that they fail to reproduce the A2u ferroelectric instability of TiO2 in the rutile structure calculated with density functional theory within the PBE-GGA approximation by Montanari et al. [Chem. Phys. Lett 364, 528 (2002)]. We demonstrate that this disagreement arises from an erroneous treatment of Ti 3s and 3p semi-core electrons as core in their calculations. Fortuitously the effect of the frozen semi-core pseudopotential cancels the phonon instability of the PBE exchange-correlation, and the c","authors_text":"Barbara Montanari, Keith Refson, Kersti Hermansson, Nicholas M. Harrison, Pavlin D. Mitev","cross_cats":["physics.comp-ph"],"headline":"","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2013-01-23T16:56:43Z","title":"Comment on \"First-principles study of the influence of (110)-oriented strain on the ferroelectric properties of rutile TiO2\" [arXiv:1106.2820]"},"references":{"count":0,"internal_anchors":0,"resolved_work":0,"sample":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1301.5564","kind":"arxiv","version":1},"verdict":{"created_at":null,"id":null,"model_set":{},"one_line_summary":"","pipeline_version":null,"pith_extraction_headline":"","strongest_claim":"","weakest_assumption":""}},"verdict_id":null}}],"author_attestations":[],"timestamp_anchors":[],"storage_attestations":[],"citation_signatures":[],"replication_records":[],"corrections":[],"mirror_hints":[],"record_created":{"event_id":"sha256:edafdea93d2d2aecfa38fb70c103471eba6a12f78b52385873f75215a1f8e385","target":"record","created_at":"2026-05-18T03:10:14Z","signer":{"key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signer_id":"pith.science","signer_type":"pith_registry"},"payload":{"attestation_state":"computed","canonical_record":{"metadata":{"abstract_canon_sha256":"e85630debce19c5c931e2a46d67d2853208381a078314cf0490cca7434784984","cross_cats_sorted":["physics.comp-ph"],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2013-01-23T16:56:43Z","title_canon_sha256":"6367a6a88749ca6fde9d27fde92f3b44490bfa57b3d6ac330b7eeff66cce0015"},"schema_version":"1.0","source":{"id":"1301.5564","kind":"arxiv","version":1}},"canonical_sha256":"45567819a0a3ee7a63d0188ad30aae76291996f51824eda86648d4c5e905ab73","receipt":{"algorithm":"ed25519","builder_version":"pith-number-builder-2026-05-17-v1","canonical_sha256":"45567819a0a3ee7a63d0188ad30aae76291996f51824eda86648d4c5e905ab73","first_computed_at":"2026-05-18T03:10:14.466875Z","key_id":"pith-v1-2026-05","kind":"pith_receipt","last_reissued_at":"2026-05-18T03:10:14.466875Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","receipt_version":"0.3","signature_b64":"1TjzyZzmw0gqL2MeE58BHog/BKYKfpQKZU8GL8Hk0JS1VEMv/bsQk0Zy4Q2SDVAcQ4fdL3zzTAqDBTPZ4bDTCw==","signature_status":"signed_v1","signed_at":"2026-05-18T03:10:14.467832Z","signed_message":"canonical_sha256_bytes"},"source_id":"1301.5564","source_kind":"arxiv","source_version":1}}},"equivocations":[],"invalid_events":[],"applied_event_ids":["sha256:edafdea93d2d2aecfa38fb70c103471eba6a12f78b52385873f75215a1f8e385","sha256:869270818338ffe77fcc6c3352e984f5515d7f3082413f6dbfb8f7e38eb56f0f"],"state_sha256":"2553312bce9ec757c0ca0520f95235132a11fb0a969ad13d62e37d31ffb5e143"},"bundle_signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"oGzyaJKtHItvxkw5NcdFL7J09+qJfGV8BkU/fB7MZcAAtMtM/lPcOSfh3+KebRgcCJeeFFyc6yddE0Q9Ufb0DA==","signed_message":"bundle_sha256_bytes","signed_at":"2026-05-26T17:05:37.792406Z","bundle_sha256":"0b1c5416a581ecc611be3d0ff77028b7d7dbb3a69291890e423ea5e9366b6ed7"}}