{"bundle_type":"pith_open_graph_bundle","bundle_version":"1.0","pith_number":"pith:2016:UNZVCUFTBO63YFYCUHRZZBHE3U","short_pith_number":"pith:UNZVCUFT","canonical_record":{"source":{"id":"1608.04991","kind":"arxiv","version":3},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2016-08-17T15:07:28Z","cross_cats_sorted":[],"title_canon_sha256":"77324da1f11272a6fe2e0a960a04b78ecb926d491a602a18b04461dd16e4ee44","abstract_canon_sha256":"6d52e5ca196e2d0612e082b8bf17679812789e3f361ccef465afef74fb6bcc0b"},"schema_version":"1.0"},"canonical_sha256":"a3735150b30bbdbc1702a1e39c84e4dd186f91c91194bc14b72b056951e83ba3","source":{"kind":"arxiv","id":"1608.04991","version":3},"source_aliases":[{"alias_kind":"arxiv","alias_value":"1608.04991","created_at":"2026-05-18T00:53:25Z"},{"alias_kind":"arxiv_version","alias_value":"1608.04991v3","created_at":"2026-05-18T00:53:25Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.1608.04991","created_at":"2026-05-18T00:53:25Z"},{"alias_kind":"pith_short_12","alias_value":"UNZVCUFTBO63","created_at":"2026-05-18T12:30:46Z"},{"alias_kind":"pith_short_16","alias_value":"UNZVCUFTBO63YFYC","created_at":"2026-05-18T12:30:46Z"},{"alias_kind":"pith_short_8","alias_value":"UNZVCUFT","created_at":"2026-05-18T12:30:46Z"}],"events":[{"event_type":"record_created","subject_pith_number":"pith:2016:UNZVCUFTBO63YFYCUHRZZBHE3U","target":"record","payload":{"canonical_record":{"source":{"id":"1608.04991","kind":"arxiv","version":3},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2016-08-17T15:07:28Z","cross_cats_sorted":[],"title_canon_sha256":"77324da1f11272a6fe2e0a960a04b78ecb926d491a602a18b04461dd16e4ee44","abstract_canon_sha256":"6d52e5ca196e2d0612e082b8bf17679812789e3f361ccef465afef74fb6bcc0b"},"schema_version":"1.0"},"canonical_sha256":"a3735150b30bbdbc1702a1e39c84e4dd186f91c91194bc14b72b056951e83ba3","receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-05-18T00:53:25.594916Z","signature_b64":"SRdXphtk4HJDSgzNyWxVwpJk5bRnPxIfneNz1TL3/NyXGHbShvIS4H7icq9x0mR12gxzdC3QQNWOlJr6Dfm4Dg==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"a3735150b30bbdbc1702a1e39c84e4dd186f91c91194bc14b72b056951e83ba3","last_reissued_at":"2026-05-18T00:53:25.594481Z","signature_status":"signed_v1","first_computed_at":"2026-05-18T00:53:25.594481Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"source_kind":"arxiv","source_id":"1608.04991","source_version":3,"attestation_state":"computed"},"signer":{"signer_id":"pith.science","signer_type":"pith_registry","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"created_at":"2026-05-18T00:53:25Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"ug1X2lhv72kumUWAe2DB5q0s8vRQK3G/WnWiX+VozBA6X3r8h9fSn5sAEqZd5kmy9vy4bu5/WSUHQwxx/bnbCg==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-05-29T22:48:15.358948Z"},"content_sha256":"62583b8e7680233fd3ab40f7615d0846851f1ba475c76f34480fd932a56dceb8","schema_version":"1.0","event_id":"sha256:62583b8e7680233fd3ab40f7615d0846851f1ba475c76f34480fd932a56dceb8"},{"event_type":"graph_snapshot","subject_pith_number":"pith:2016:UNZVCUFTBO63YFYCUHRZZBHE3U","target":"graph","payload":{"graph_snapshot":{"paper":{"title":"Room temperature dynamic correlation between methylammonium molecules in lead-iodine based perovskites: An ab-initio molecular dynamics perspective","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":[],"primary_cat":"cond-mat.mtrl-sci","authors_text":"Abhinav Kumar, Cesare Franchini, D.D. Sarma, Georg Kresse, Jonathan Lahnsteiner, Menno Bokdam","submitted_at":"2016-08-17T15:07:28Z","abstract_excerpt":"The high efficiency of lead organo-metal-halide perovskite solar cells has raised many questions about the role of the methylammonium (MA) molecules in the Pb-I framework. Experiments indicate that the MA molecules are able to 'freely' spin around at room temperature even though they carry an intrinsic dipole moment. We have performed large supercell (2592 atoms) finite temperature ab-initio molecular dynamics calculations to study the correlation between the molecules in the framework. An underlying long range anti-ferroelectric ordering of the molecular dipoles is observed. The dynamical cor"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1608.04991","kind":"arxiv","version":3},"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":"2026-05-18T00:53:25Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"3vR+FYpi9GfdTG/JdtVPrtnfdo+fAv0drG69CQ8vmYsKoHefdcO6bmB5uzUbd0ElKabFIN2lv2hU24MzvXOuAw==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-05-29T22:48:15.359418Z"},"content_sha256":"b79f2a8046153b2e3badb501e6ef1d255af22e02d79322ef6382b422f5d26fae","schema_version":"1.0","event_id":"sha256:b79f2a8046153b2e3badb501e6ef1d255af22e02d79322ef6382b422f5d26fae"}],"timestamp_proofs":[],"mirror_hints":[{"mirror_type":"https","name":"Pith Resolver","base_url":"https://pith.science","bundle_url":"https://pith.science/pith/UNZVCUFTBO63YFYCUHRZZBHE3U/bundle.json","state_url":"https://pith.science/pith/UNZVCUFTBO63YFYCUHRZZBHE3U/state.json","well_known_bundle_url":"https://pith.science/.well-known/pith/UNZVCUFTBO63YFYCUHRZZBHE3U/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":"2026-05-29T22:48:15Z","links":{"resolver":"https://pith.science/pith/UNZVCUFTBO63YFYCUHRZZBHE3U","bundle":"https://pith.science/pith/UNZVCUFTBO63YFYCUHRZZBHE3U/bundle.json","state":"https://pith.science/pith/UNZVCUFTBO63YFYCUHRZZBHE3U/state.json","well_known_bundle":"https://pith.science/.well-known/pith/UNZVCUFTBO63YFYCUHRZZBHE3U/bundle.json"},"state":{"state_type":"pith_open_graph_state","state_version":"1.0","pith_number":"pith:2016:UNZVCUFTBO63YFYCUHRZZBHE3U","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":"6d52e5ca196e2d0612e082b8bf17679812789e3f361ccef465afef74fb6bcc0b","cross_cats_sorted":[],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2016-08-17T15:07:28Z","title_canon_sha256":"77324da1f11272a6fe2e0a960a04b78ecb926d491a602a18b04461dd16e4ee44"},"schema_version":"1.0","source":{"id":"1608.04991","kind":"arxiv","version":3}},"source_aliases":[{"alias_kind":"arxiv","alias_value":"1608.04991","created_at":"2026-05-18T00:53:25Z"},{"alias_kind":"arxiv_version","alias_value":"1608.04991v3","created_at":"2026-05-18T00:53:25Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.1608.04991","created_at":"2026-05-18T00:53:25Z"},{"alias_kind":"pith_short_12","alias_value":"UNZVCUFTBO63","created_at":"2026-05-18T12:30:46Z"},{"alias_kind":"pith_short_16","alias_value":"UNZVCUFTBO63YFYC","created_at":"2026-05-18T12:30:46Z"},{"alias_kind":"pith_short_8","alias_value":"UNZVCUFT","created_at":"2026-05-18T12:30:46Z"}],"graph_snapshots":[{"event_id":"sha256:b79f2a8046153b2e3badb501e6ef1d255af22e02d79322ef6382b422f5d26fae","target":"graph","created_at":"2026-05-18T00:53:25Z","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":"The high efficiency of lead organo-metal-halide perovskite solar cells has raised many questions about the role of the methylammonium (MA) molecules in the Pb-I framework. Experiments indicate that the MA molecules are able to 'freely' spin around at room temperature even though they carry an intrinsic dipole moment. We have performed large supercell (2592 atoms) finite temperature ab-initio molecular dynamics calculations to study the correlation between the molecules in the framework. An underlying long range anti-ferroelectric ordering of the molecular dipoles is observed. The dynamical cor","authors_text":"Abhinav Kumar, Cesare Franchini, D.D. Sarma, Georg Kresse, Jonathan Lahnsteiner, Menno Bokdam","cross_cats":[],"headline":"","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2016-08-17T15:07:28Z","title":"Room temperature dynamic correlation between methylammonium molecules in lead-iodine based perovskites: An ab-initio molecular dynamics perspective"},"references":{"count":0,"internal_anchors":0,"resolved_work":0,"sample":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1608.04991","kind":"arxiv","version":3},"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":"sha256:62583b8e7680233fd3ab40f7615d0846851f1ba475c76f34480fd932a56dceb8","target":"record","created_at":"2026-05-18T00:53:25Z","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":"6d52e5ca196e2d0612e082b8bf17679812789e3f361ccef465afef74fb6bcc0b","cross_cats_sorted":[],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2016-08-17T15:07:28Z","title_canon_sha256":"77324da1f11272a6fe2e0a960a04b78ecb926d491a602a18b04461dd16e4ee44"},"schema_version":"1.0","source":{"id":"1608.04991","kind":"arxiv","version":3}},"canonical_sha256":"a3735150b30bbdbc1702a1e39c84e4dd186f91c91194bc14b72b056951e83ba3","receipt":{"algorithm":"ed25519","builder_version":"pith-number-builder-2026-05-17-v1","canonical_sha256":"a3735150b30bbdbc1702a1e39c84e4dd186f91c91194bc14b72b056951e83ba3","first_computed_at":"2026-05-18T00:53:25.594481Z","key_id":"pith-v1-2026-05","kind":"pith_receipt","last_reissued_at":"2026-05-18T00:53:25.594481Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","receipt_version":"0.3","signature_b64":"SRdXphtk4HJDSgzNyWxVwpJk5bRnPxIfneNz1TL3/NyXGHbShvIS4H7icq9x0mR12gxzdC3QQNWOlJr6Dfm4Dg==","signature_status":"signed_v1","signed_at":"2026-05-18T00:53:25.594916Z","signed_message":"canonical_sha256_bytes"},"source_id":"1608.04991","source_kind":"arxiv","source_version":3}}},"equivocations":[],"invalid_events":[],"applied_event_ids":["sha256:62583b8e7680233fd3ab40f7615d0846851f1ba475c76f34480fd932a56dceb8","sha256:b79f2a8046153b2e3badb501e6ef1d255af22e02d79322ef6382b422f5d26fae"],"state_sha256":"6a30f3461c7dce14d2ab8dd2aba8fdca7275f90e7ce560a0691bd107127a7590"},"bundle_signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"IwVMiga85wUatDNj6tudg7+nUD7QGjAWEIZ8WatwFzEw7Dbd7kaLaD8gMZrcqkm1qMN/g9kb6t1+37ydKD1qCQ==","signed_message":"bundle_sha256_bytes","signed_at":"2026-05-29T22:48:15.361915Z","bundle_sha256":"a4f87f8c1d99ad44a860590ae0a7e774ca2c961525fe019ca537daccf3850246"}}