{"bundle_type":"pith_open_graph_bundle","bundle_version":"1.0","pith_number":"pith:2021:P4LTPVGVJGD54UNB2YZSFELNZV","short_pith_number":"pith:P4LTPVGV","canonical_record":{"source":{"id":"2107.04628","kind":"arxiv","version":2},"metadata":{"license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2021-07-09T18:43:51Z","cross_cats_sorted":[],"title_canon_sha256":"2975eb5f05784ae5f25ee7aa0614a4bf1d948425b8ce3c42390c9b093c853492","abstract_canon_sha256":"ab923a077239b2afc5415c363418e0192c2b2064d22c199cb50499bfbda693c4"},"schema_version":"1.0"},"canonical_sha256":"7f1737d4d54987de51a1d63322916dcd6d1370cacf99da26693eb6181364d5aa","source":{"kind":"arxiv","id":"2107.04628","version":2},"source_aliases":[{"alias_kind":"arxiv","alias_value":"2107.04628","created_at":"2026-07-05T04:10:12Z"},{"alias_kind":"arxiv_version","alias_value":"2107.04628v2","created_at":"2026-07-05T04:10:12Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2107.04628","created_at":"2026-07-05T04:10:12Z"},{"alias_kind":"pith_short_12","alias_value":"P4LTPVGVJGD5","created_at":"2026-07-05T04:10:12Z"},{"alias_kind":"pith_short_16","alias_value":"P4LTPVGVJGD54UNB","created_at":"2026-07-05T04:10:12Z"},{"alias_kind":"pith_short_8","alias_value":"P4LTPVGV","created_at":"2026-07-05T04:10:12Z"}],"events":[{"event_type":"record_created","subject_pith_number":"pith:2021:P4LTPVGVJGD54UNB2YZSFELNZV","target":"record","payload":{"canonical_record":{"source":{"id":"2107.04628","kind":"arxiv","version":2},"metadata":{"license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2021-07-09T18:43:51Z","cross_cats_sorted":[],"title_canon_sha256":"2975eb5f05784ae5f25ee7aa0614a4bf1d948425b8ce3c42390c9b093c853492","abstract_canon_sha256":"ab923a077239b2afc5415c363418e0192c2b2064d22c199cb50499bfbda693c4"},"schema_version":"1.0"},"canonical_sha256":"7f1737d4d54987de51a1d63322916dcd6d1370cacf99da26693eb6181364d5aa","receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-07-05T04:10:12.115431Z","signature_b64":"8M4np4R1J2KQWVymVot8TnicVURFkOno2XUL3nWZGCwMIy33krlLIYPFpQMausob4OegU0O/3X1RD7hxLy0FDA==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"7f1737d4d54987de51a1d63322916dcd6d1370cacf99da26693eb6181364d5aa","last_reissued_at":"2026-07-05T04:10:12.114957Z","signature_status":"signed_v1","first_computed_at":"2026-07-05T04:10:12.114957Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"source_kind":"arxiv","source_id":"2107.04628","source_version":2,"attestation_state":"computed"},"signer":{"signer_id":"pith.science","signer_type":"pith_registry","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"created_at":"2026-07-05T04:10:12Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"AoneL3G7VoSV6DhMgEVJUu1+1T0kspdjS+qowgUCM1ME3SCKeN9+MeB1FNktubVq1KFfule5Z9vq5XF0JD+uBA==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-07-07T12:31:40.797594Z"},"content_sha256":"683e43d54e3dc5926acfb90bb8c6b4973dcf88476f84ec4534a085d90d06be76","schema_version":"1.0","event_id":"sha256:683e43d54e3dc5926acfb90bb8c6b4973dcf88476f84ec4534a085d90d06be76"},{"event_type":"graph_snapshot","subject_pith_number":"pith:2021:P4LTPVGVJGD54UNB2YZSFELNZV","target":"graph","payload":{"graph_snapshot":{"paper":{"title":"Microscopic picture of paraelectric perovskites from structural prototypes","license":"http://creativecommons.org/licenses/by/4.0/","headline":"","cross_cats":[],"primary_cat":"cond-mat.mtrl-sci","authors_text":"Boris Kozinsky, Giovanni Pizzi, Marco Fornari, Michele Kotiuga, Nicola Marzari, Samed Halilov","submitted_at":"2021-07-09T18:43:51Z","abstract_excerpt":"We show with first-principles molecular dynamics the persistence of intrinsic $\\langle111\\rangle$ Ti off-centerings for BaTiO$_3$ in its cubic paraelectric phase. Intriguingly, these are inconsistent with the Pm$\\bar 3$m space group often used to atomistically model this phase using density functional theory or similar methods. Therefore we deploy a systematic symmetry analysis to construct representative structural models in the form of supercells that satisfy a desired point symmetry but are built from the combination of lower-symmetry primitive cells. We define as structural prototypes the "},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2107.04628","kind":"arxiv","version":2},"verdict":{"id":null,"model_set":{},"created_at":null,"strongest_claim":"","one_line_summary":"","pipeline_version":null,"weakest_assumption":"","pith_extraction_headline":""},"integrity":{"clean":true,"summary":{"advisory":0,"critical":0,"by_detector":{},"informational":0},"endpoint":"/pith/2107.04628/integrity.json","findings":[],"available":true,"detectors_run":[],"snapshot_sha256":"c28c3603d3b5d939e8dc4c7e95fa8dfce3d595e45f758748cecf8e644a296938"},"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":"2026-07-05T04:10:12Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"daOrbUgWNU4xiPLoTKHR9EAXXWo4S4iVuCdAKLP8svaYpiI68Tnf+qYlJcwSQLiajIMCR5rh+hmjrf2ININACg==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-07-07T12:31:40.797965Z"},"content_sha256":"a259d78344b2da21fe9e761456788b113192de3128582b9e8cd801a3b2eb2aad","schema_version":"1.0","event_id":"sha256:a259d78344b2da21fe9e761456788b113192de3128582b9e8cd801a3b2eb2aad"}],"timestamp_proofs":[],"mirror_hints":[{"mirror_type":"https","name":"Pith Resolver","base_url":"https://pith.science","bundle_url":"https://pith.science/pith/P4LTPVGVJGD54UNB2YZSFELNZV/bundle.json","state_url":"https://pith.science/pith/P4LTPVGVJGD54UNB2YZSFELNZV/state.json","well_known_bundle_url":"https://pith.science/.well-known/pith/P4LTPVGVJGD54UNB2YZSFELNZV/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":"2026-07-07T12:31:40Z","links":{"resolver":"https://pith.science/pith/P4LTPVGVJGD54UNB2YZSFELNZV","bundle":"https://pith.science/pith/P4LTPVGVJGD54UNB2YZSFELNZV/bundle.json","state":"https://pith.science/pith/P4LTPVGVJGD54UNB2YZSFELNZV/state.json","well_known_bundle":"https://pith.science/.well-known/pith/P4LTPVGVJGD54UNB2YZSFELNZV/bundle.json"},"state":{"state_type":"pith_open_graph_state","state_version":"1.0","pith_number":"pith:2021:P4LTPVGVJGD54UNB2YZSFELNZV","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":"ab923a077239b2afc5415c363418e0192c2b2064d22c199cb50499bfbda693c4","cross_cats_sorted":[],"license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2021-07-09T18:43:51Z","title_canon_sha256":"2975eb5f05784ae5f25ee7aa0614a4bf1d948425b8ce3c42390c9b093c853492"},"schema_version":"1.0","source":{"id":"2107.04628","kind":"arxiv","version":2}},"source_aliases":[{"alias_kind":"arxiv","alias_value":"2107.04628","created_at":"2026-07-05T04:10:12Z"},{"alias_kind":"arxiv_version","alias_value":"2107.04628v2","created_at":"2026-07-05T04:10:12Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2107.04628","created_at":"2026-07-05T04:10:12Z"},{"alias_kind":"pith_short_12","alias_value":"P4LTPVGVJGD5","created_at":"2026-07-05T04:10:12Z"},{"alias_kind":"pith_short_16","alias_value":"P4LTPVGVJGD54UNB","created_at":"2026-07-05T04:10:12Z"},{"alias_kind":"pith_short_8","alias_value":"P4LTPVGV","created_at":"2026-07-05T04:10:12Z"}],"graph_snapshots":[{"event_id":"sha256:a259d78344b2da21fe9e761456788b113192de3128582b9e8cd801a3b2eb2aad","target":"graph","created_at":"2026-07-05T04:10:12Z","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"},"integrity":{"available":true,"clean":true,"detectors_run":[],"endpoint":"/pith/2107.04628/integrity.json","findings":[],"snapshot_sha256":"c28c3603d3b5d939e8dc4c7e95fa8dfce3d595e45f758748cecf8e644a296938","summary":{"advisory":0,"by_detector":{},"critical":0,"informational":0}},"paper":{"abstract_excerpt":"We show with first-principles molecular dynamics the persistence of intrinsic $\\langle111\\rangle$ Ti off-centerings for BaTiO$_3$ in its cubic paraelectric phase. Intriguingly, these are inconsistent with the Pm$\\bar 3$m space group often used to atomistically model this phase using density functional theory or similar methods. Therefore we deploy a systematic symmetry analysis to construct representative structural models in the form of supercells that satisfy a desired point symmetry but are built from the combination of lower-symmetry primitive cells. We define as structural prototypes the ","authors_text":"Boris Kozinsky, Giovanni Pizzi, Marco Fornari, Michele Kotiuga, Nicola Marzari, Samed Halilov","cross_cats":[],"headline":"","license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2021-07-09T18:43:51Z","title":"Microscopic picture of paraelectric perovskites from structural prototypes"},"references":{"count":0,"internal_anchors":0,"resolved_work":0,"sample":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2107.04628","kind":"arxiv","version":2},"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":"sha256:683e43d54e3dc5926acfb90bb8c6b4973dcf88476f84ec4534a085d90d06be76","target":"record","created_at":"2026-07-05T04:10:12Z","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":"ab923a077239b2afc5415c363418e0192c2b2064d22c199cb50499bfbda693c4","cross_cats_sorted":[],"license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2021-07-09T18:43:51Z","title_canon_sha256":"2975eb5f05784ae5f25ee7aa0614a4bf1d948425b8ce3c42390c9b093c853492"},"schema_version":"1.0","source":{"id":"2107.04628","kind":"arxiv","version":2}},"canonical_sha256":"7f1737d4d54987de51a1d63322916dcd6d1370cacf99da26693eb6181364d5aa","receipt":{"algorithm":"ed25519","builder_version":"pith-number-builder-2026-05-17-v1","canonical_sha256":"7f1737d4d54987de51a1d63322916dcd6d1370cacf99da26693eb6181364d5aa","first_computed_at":"2026-07-05T04:10:12.114957Z","key_id":"pith-v1-2026-05","kind":"pith_receipt","last_reissued_at":"2026-07-05T04:10:12.114957Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","receipt_version":"0.3","signature_b64":"8M4np4R1J2KQWVymVot8TnicVURFkOno2XUL3nWZGCwMIy33krlLIYPFpQMausob4OegU0O/3X1RD7hxLy0FDA==","signature_status":"signed_v1","signed_at":"2026-07-05T04:10:12.115431Z","signed_message":"canonical_sha256_bytes"},"source_id":"2107.04628","source_kind":"arxiv","source_version":2}}},"equivocations":[],"invalid_events":[],"applied_event_ids":["sha256:683e43d54e3dc5926acfb90bb8c6b4973dcf88476f84ec4534a085d90d06be76","sha256:a259d78344b2da21fe9e761456788b113192de3128582b9e8cd801a3b2eb2aad"],"state_sha256":"148a4a7cdb5ca0ad28e6e81c1b8e2ba44b220ab7be403a5df372769de6389edc"},"bundle_signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"Zpi1suI3xaGr4JJECiU8wQoJzs4hcdsjJVrHJOB+9dTqAOEap6ddXXfDYP6rA1ANDgrjVtby91fIg4EGpCzNBA==","signed_message":"bundle_sha256_bytes","signed_at":"2026-07-07T12:31:40.799921Z","bundle_sha256":"aa857dae4bc995d275659025c6107e844d4910ee2c7e3a38619684653ac919b0"}}