{"bundle_type":"pith_open_graph_bundle","bundle_version":"1.0","pith_number":"pith:2011:VXEYQNWB2QP247ROY2EF7EXPJ5","short_pith_number":"pith:VXEYQNWB","canonical_record":{"source":{"id":"1101.5666","kind":"arxiv","version":3},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2011-01-29T04:19:20Z","cross_cats_sorted":["physics.chem-ph","physics.comp-ph"],"title_canon_sha256":"d5e42a2b57967e26cd130a8812e4117d64941d3f88d39078230923d4b9abfcb2","abstract_canon_sha256":"75c59bed53b1d0cc84a1b61e274e6f618c19b969ee3d6d84438d02f8dc3473e1"},"schema_version":"1.0"},"canonical_sha256":"adc98836c1d41fae7e2ec6885f92ef4f7c35f04949e2429d0e6fe2e372ab0f72","source":{"kind":"arxiv","id":"1101.5666","version":3},"source_aliases":[{"alias_kind":"arxiv","alias_value":"1101.5666","created_at":"2026-05-18T04:23:11Z"},{"alias_kind":"arxiv_version","alias_value":"1101.5666v3","created_at":"2026-05-18T04:23:11Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.1101.5666","created_at":"2026-05-18T04:23:11Z"},{"alias_kind":"pith_short_12","alias_value":"VXEYQNWB2QP2","created_at":"2026-05-18T12:26:44Z"},{"alias_kind":"pith_short_16","alias_value":"VXEYQNWB2QP247RO","created_at":"2026-05-18T12:26:44Z"},{"alias_kind":"pith_short_8","alias_value":"VXEYQNWB","created_at":"2026-05-18T12:26:44Z"}],"events":[{"event_type":"record_created","subject_pith_number":"pith:2011:VXEYQNWB2QP247ROY2EF7EXPJ5","target":"record","payload":{"canonical_record":{"source":{"id":"1101.5666","kind":"arxiv","version":3},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2011-01-29T04:19:20Z","cross_cats_sorted":["physics.chem-ph","physics.comp-ph"],"title_canon_sha256":"d5e42a2b57967e26cd130a8812e4117d64941d3f88d39078230923d4b9abfcb2","abstract_canon_sha256":"75c59bed53b1d0cc84a1b61e274e6f618c19b969ee3d6d84438d02f8dc3473e1"},"schema_version":"1.0"},"canonical_sha256":"adc98836c1d41fae7e2ec6885f92ef4f7c35f04949e2429d0e6fe2e372ab0f72","receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-05-18T04:23:11.460653Z","signature_b64":"Ej18t5mFuL7xsDEwBBQU4aG315tdZdcAawQw6qwWralPW92R0ubelPUmKIckuX2h/nmqR8+GubRQhaO/sgm8BQ==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"adc98836c1d41fae7e2ec6885f92ef4f7c35f04949e2429d0e6fe2e372ab0f72","last_reissued_at":"2026-05-18T04:23:11.460215Z","signature_status":"signed_v1","first_computed_at":"2026-05-18T04:23:11.460215Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"source_kind":"arxiv","source_id":"1101.5666","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":"2026-05-18T04:23:11Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"kfkReKOxEAzh+fIU410U4hmUxyrM18KjZckWu5uIrwHpKfsS1DJn0fNrOK/Q8qrq/UI1TbDKctTzJd1Iqel/Cw==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-06-04T22:43:30.619945Z"},"content_sha256":"2c9e83a654f6af4982ed3aa80e58ab50d68177d2749f597353965183476057d3","schema_version":"1.0","event_id":"sha256:2c9e83a654f6af4982ed3aa80e58ab50d68177d2749f597353965183476057d3"},{"event_type":"graph_snapshot","subject_pith_number":"pith:2011:VXEYQNWB2QP247ROY2EF7EXPJ5","target":"graph","payload":{"graph_snapshot":{"paper":{"title":"Ab initio van der Waals interactions in simulations of water alter structure from mainly tetrahedral to high-density-like","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":["physics.chem-ph","physics.comp-ph"],"primary_cat":"cond-mat.mtrl-sci","authors_text":"Anders Nilsson, Andreas M{\\o}gelh{\\o}j, Andr\\'e Kelkkanen, Bengt I. Lundqvist, Jakob Schi{\\o}tz, Jens J{\\o}rgen Mortensen, Jens K. N{\\o}rskov, Karsten W. Jacobsen, K. Thor Wikfeldt, Lars G.M. Pettersson","submitted_at":"2011-01-29T04:19:20Z","abstract_excerpt":"The structure of liquid water at ambient conditions is studied in ab initio molecular dynamics simulations using van der Waals (vdW) density-functional theory, i.e. using the new exchange-correlation functionals optPBE-vdW and vdW-DF2. Inclusion of the more isotropic vdW interactions counteracts highly directional hydrogen-bonds, which are enhanced by standard functionals. This brings about a softening of the microscopic structure of water, as seen from the broadening of angular distribution functions and, in particular, from the much lower and broader first peak in the oxygen-oxygen pair-corr"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1101.5666","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":"2026-05-18T04:23:11Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"qGdWaKU/Ckc+Jn79R9+Ebj/PGE7+HRwX84kL2SsNJfZimBWGri8cDORHW4pUhOUPL0c6+S4Le2mCqy2wcLhoAw==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-06-04T22:43:30.620297Z"},"content_sha256":"461a38faa212b701e3f7367cd7507193f12f4eaf05ad7305a0834d8923ab0245","schema_version":"1.0","event_id":"sha256:461a38faa212b701e3f7367cd7507193f12f4eaf05ad7305a0834d8923ab0245"}],"timestamp_proofs":[],"mirror_hints":[{"mirror_type":"https","name":"Pith Resolver","base_url":"https://pith.science","bundle_url":"https://pith.science/pith/VXEYQNWB2QP247ROY2EF7EXPJ5/bundle.json","state_url":"https://pith.science/pith/VXEYQNWB2QP247ROY2EF7EXPJ5/state.json","well_known_bundle_url":"https://pith.science/.well-known/pith/VXEYQNWB2QP247ROY2EF7EXPJ5/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":"2026-06-04T22:43:30Z","links":{"resolver":"https://pith.science/pith/VXEYQNWB2QP247ROY2EF7EXPJ5","bundle":"https://pith.science/pith/VXEYQNWB2QP247ROY2EF7EXPJ5/bundle.json","state":"https://pith.science/pith/VXEYQNWB2QP247ROY2EF7EXPJ5/state.json","well_known_bundle":"https://pith.science/.well-known/pith/VXEYQNWB2QP247ROY2EF7EXPJ5/bundle.json"},"state":{"state_type":"pith_open_graph_state","state_version":"1.0","pith_number":"pith:2011:VXEYQNWB2QP247ROY2EF7EXPJ5","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":"75c59bed53b1d0cc84a1b61e274e6f618c19b969ee3d6d84438d02f8dc3473e1","cross_cats_sorted":["physics.chem-ph","physics.comp-ph"],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2011-01-29T04:19:20Z","title_canon_sha256":"d5e42a2b57967e26cd130a8812e4117d64941d3f88d39078230923d4b9abfcb2"},"schema_version":"1.0","source":{"id":"1101.5666","kind":"arxiv","version":3}},"source_aliases":[{"alias_kind":"arxiv","alias_value":"1101.5666","created_at":"2026-05-18T04:23:11Z"},{"alias_kind":"arxiv_version","alias_value":"1101.5666v3","created_at":"2026-05-18T04:23:11Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.1101.5666","created_at":"2026-05-18T04:23:11Z"},{"alias_kind":"pith_short_12","alias_value":"VXEYQNWB2QP2","created_at":"2026-05-18T12:26:44Z"},{"alias_kind":"pith_short_16","alias_value":"VXEYQNWB2QP247RO","created_at":"2026-05-18T12:26:44Z"},{"alias_kind":"pith_short_8","alias_value":"VXEYQNWB","created_at":"2026-05-18T12:26:44Z"}],"graph_snapshots":[{"event_id":"sha256:461a38faa212b701e3f7367cd7507193f12f4eaf05ad7305a0834d8923ab0245","target":"graph","created_at":"2026-05-18T04:23:11Z","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 structure of liquid water at ambient conditions is studied in ab initio molecular dynamics simulations using van der Waals (vdW) density-functional theory, i.e. using the new exchange-correlation functionals optPBE-vdW and vdW-DF2. Inclusion of the more isotropic vdW interactions counteracts highly directional hydrogen-bonds, which are enhanced by standard functionals. This brings about a softening of the microscopic structure of water, as seen from the broadening of angular distribution functions and, in particular, from the much lower and broader first peak in the oxygen-oxygen pair-corr","authors_text":"Anders Nilsson, Andreas M{\\o}gelh{\\o}j, Andr\\'e Kelkkanen, Bengt I. Lundqvist, Jakob Schi{\\o}tz, Jens J{\\o}rgen Mortensen, Jens K. N{\\o}rskov, Karsten W. Jacobsen, K. Thor Wikfeldt, Lars G.M. Pettersson","cross_cats":["physics.chem-ph","physics.comp-ph"],"headline":"","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2011-01-29T04:19:20Z","title":"Ab initio van der Waals interactions in simulations of water alter structure from mainly tetrahedral to high-density-like"},"references":{"count":0,"internal_anchors":0,"resolved_work":0,"sample":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1101.5666","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":"sha256:2c9e83a654f6af4982ed3aa80e58ab50d68177d2749f597353965183476057d3","target":"record","created_at":"2026-05-18T04:23:11Z","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":"75c59bed53b1d0cc84a1b61e274e6f618c19b969ee3d6d84438d02f8dc3473e1","cross_cats_sorted":["physics.chem-ph","physics.comp-ph"],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2011-01-29T04:19:20Z","title_canon_sha256":"d5e42a2b57967e26cd130a8812e4117d64941d3f88d39078230923d4b9abfcb2"},"schema_version":"1.0","source":{"id":"1101.5666","kind":"arxiv","version":3}},"canonical_sha256":"adc98836c1d41fae7e2ec6885f92ef4f7c35f04949e2429d0e6fe2e372ab0f72","receipt":{"algorithm":"ed25519","builder_version":"pith-number-builder-2026-05-17-v1","canonical_sha256":"adc98836c1d41fae7e2ec6885f92ef4f7c35f04949e2429d0e6fe2e372ab0f72","first_computed_at":"2026-05-18T04:23:11.460215Z","key_id":"pith-v1-2026-05","kind":"pith_receipt","last_reissued_at":"2026-05-18T04:23:11.460215Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","receipt_version":"0.3","signature_b64":"Ej18t5mFuL7xsDEwBBQU4aG315tdZdcAawQw6qwWralPW92R0ubelPUmKIckuX2h/nmqR8+GubRQhaO/sgm8BQ==","signature_status":"signed_v1","signed_at":"2026-05-18T04:23:11.460653Z","signed_message":"canonical_sha256_bytes"},"source_id":"1101.5666","source_kind":"arxiv","source_version":3}}},"equivocations":[],"invalid_events":[],"applied_event_ids":["sha256:2c9e83a654f6af4982ed3aa80e58ab50d68177d2749f597353965183476057d3","sha256:461a38faa212b701e3f7367cd7507193f12f4eaf05ad7305a0834d8923ab0245"],"state_sha256":"248d94f33d808837b55b39e092ef1001178540d5383083e0d7a32835029e98e6"},"bundle_signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"hm6gof26T88+U0dNcNQwgYTk8fRT6mh3UJdfGFdhXWC5VJxxGSop3R5zr4YFTWQfeq3so5IKQfZUESkcT+A1BA==","signed_message":"bundle_sha256_bytes","signed_at":"2026-06-04T22:43:30.622589Z","bundle_sha256":"5c9444328fa5d07a62b74dc9184b0c1ea95576e9ad5bd3d9ea34018201184a6b"}}