{"bundle_type":"pith_open_graph_bundle","bundle_version":"1.0","pith_number":"pith:2019:747TP6D2NMHTBAIA46NAZVRLW5","short_pith_number":"pith:747TP6D2","canonical_record":{"source":{"id":"1903.11479","kind":"arxiv","version":1},"metadata":{"license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"cond-mat.soft","submitted_at":"2019-03-27T15:16:27Z","cross_cats_sorted":[],"title_canon_sha256":"b978949b3470df1d3f77d9a66da13ce446c151fa89811ba62553936dd9859cb8","abstract_canon_sha256":"8fadfff890d9b59b0412daa2fe044ba134198ea372a80391b79357aee0bb31c8"},"schema_version":"1.0"},"canonical_sha256":"ff3f37f87a6b0f308100e79a0cd62bb77c90143592b3c4f3b70a7309ec12b3d1","source":{"kind":"arxiv","id":"1903.11479","version":1},"source_aliases":[{"alias_kind":"arxiv","alias_value":"1903.11479","created_at":"2026-05-17T23:50:03Z"},{"alias_kind":"arxiv_version","alias_value":"1903.11479v1","created_at":"2026-05-17T23:50:03Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.1903.11479","created_at":"2026-05-17T23:50:03Z"},{"alias_kind":"pith_short_12","alias_value":"747TP6D2NMHT","created_at":"2026-05-18T12:33:10Z"},{"alias_kind":"pith_short_16","alias_value":"747TP6D2NMHTBAIA","created_at":"2026-05-18T12:33:10Z"},{"alias_kind":"pith_short_8","alias_value":"747TP6D2","created_at":"2026-05-18T12:33:10Z"}],"events":[{"event_type":"record_created","subject_pith_number":"pith:2019:747TP6D2NMHTBAIA46NAZVRLW5","target":"record","payload":{"canonical_record":{"source":{"id":"1903.11479","kind":"arxiv","version":1},"metadata":{"license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"cond-mat.soft","submitted_at":"2019-03-27T15:16:27Z","cross_cats_sorted":[],"title_canon_sha256":"b978949b3470df1d3f77d9a66da13ce446c151fa89811ba62553936dd9859cb8","abstract_canon_sha256":"8fadfff890d9b59b0412daa2fe044ba134198ea372a80391b79357aee0bb31c8"},"schema_version":"1.0"},"canonical_sha256":"ff3f37f87a6b0f308100e79a0cd62bb77c90143592b3c4f3b70a7309ec12b3d1","receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-05-17T23:50:03.175816Z","signature_b64":"RlnVFe+4lXsVkeJKy/N4nID6d2jfrt6bSfdAFKbHuq2rRSCeYQobt29whFdX1WA71HdUIUGy/wbbF8vH43dDBg==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"ff3f37f87a6b0f308100e79a0cd62bb77c90143592b3c4f3b70a7309ec12b3d1","last_reissued_at":"2026-05-17T23:50:03.175357Z","signature_status":"signed_v1","first_computed_at":"2026-05-17T23:50:03.175357Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"source_kind":"arxiv","source_id":"1903.11479","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":"2026-05-17T23:50:03Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"G9iFnAHxovT0fkxmcQ0YTf6YToOxFZr75JayvCSgooibIBRz5pOCP/TSmttP96l+/Jx+4MeA1C3qTMNQ0BaODw==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-05-27T08:49:52.883003Z"},"content_sha256":"728dbc2c8e8c99039431b84078298459c8edf6dfbd19c65e262a1fec745e23d3","schema_version":"1.0","event_id":"sha256:728dbc2c8e8c99039431b84078298459c8edf6dfbd19c65e262a1fec745e23d3"},{"event_type":"graph_snapshot","subject_pith_number":"pith:2019:747TP6D2NMHTBAIA46NAZVRLW5","target":"graph","payload":{"graph_snapshot":{"paper":{"title":"Molecular dynamics simulations of the properties of water-methanol mixtures. Effects of force fields","license":"http://creativecommons.org/licenses/by/4.0/","headline":"","cross_cats":[],"primary_cat":"cond-mat.soft","authors_text":"H. Dominguez, M. Cruz Sanchez, O. Pizio","submitted_at":"2019-03-27T15:16:27Z","abstract_excerpt":"Isothermal-isobaric molecular dynamics simulations are used to examine the microscopic structure and some properties of water-methanol liquid mixture. The TIP4P/2005 and SPC/E water models are combined with the united atom TraPPE and the all-atom force field model for methanol. Our principal focus is to evaluate the quality of predictions of different combinations of model force fields concerning the composition dependence of basic properties of this system. Specifically, we explored the composition effects on density, excess molar volume and excess entropy, as well as on the surface tension a"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1903.11479","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":"2026-05-17T23:50:03Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"HaiuXjPxBxKHoe3yBB12GXCVG/mSMGb6hpkiPu9blKbrtN1ta7RDAt4mVzspRNk4cdZqgGnZncqML7PGsq5rAw==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-05-27T08:49:52.883590Z"},"content_sha256":"0b075c46cdb0e7acf29bb10e23a9a9bbd5621bf60bf96b0da5ad2c4f4a6f7c79","schema_version":"1.0","event_id":"sha256:0b075c46cdb0e7acf29bb10e23a9a9bbd5621bf60bf96b0da5ad2c4f4a6f7c79"}],"timestamp_proofs":[],"mirror_hints":[{"mirror_type":"https","name":"Pith Resolver","base_url":"https://pith.science","bundle_url":"https://pith.science/pith/747TP6D2NMHTBAIA46NAZVRLW5/bundle.json","state_url":"https://pith.science/pith/747TP6D2NMHTBAIA46NAZVRLW5/state.json","well_known_bundle_url":"https://pith.science/.well-known/pith/747TP6D2NMHTBAIA46NAZVRLW5/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":"2026-05-27T08:49:52Z","links":{"resolver":"https://pith.science/pith/747TP6D2NMHTBAIA46NAZVRLW5","bundle":"https://pith.science/pith/747TP6D2NMHTBAIA46NAZVRLW5/bundle.json","state":"https://pith.science/pith/747TP6D2NMHTBAIA46NAZVRLW5/state.json","well_known_bundle":"https://pith.science/.well-known/pith/747TP6D2NMHTBAIA46NAZVRLW5/bundle.json"},"state":{"state_type":"pith_open_graph_state","state_version":"1.0","pith_number":"pith:2019:747TP6D2NMHTBAIA46NAZVRLW5","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":"8fadfff890d9b59b0412daa2fe044ba134198ea372a80391b79357aee0bb31c8","cross_cats_sorted":[],"license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"cond-mat.soft","submitted_at":"2019-03-27T15:16:27Z","title_canon_sha256":"b978949b3470df1d3f77d9a66da13ce446c151fa89811ba62553936dd9859cb8"},"schema_version":"1.0","source":{"id":"1903.11479","kind":"arxiv","version":1}},"source_aliases":[{"alias_kind":"arxiv","alias_value":"1903.11479","created_at":"2026-05-17T23:50:03Z"},{"alias_kind":"arxiv_version","alias_value":"1903.11479v1","created_at":"2026-05-17T23:50:03Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.1903.11479","created_at":"2026-05-17T23:50:03Z"},{"alias_kind":"pith_short_12","alias_value":"747TP6D2NMHT","created_at":"2026-05-18T12:33:10Z"},{"alias_kind":"pith_short_16","alias_value":"747TP6D2NMHTBAIA","created_at":"2026-05-18T12:33:10Z"},{"alias_kind":"pith_short_8","alias_value":"747TP6D2","created_at":"2026-05-18T12:33:10Z"}],"graph_snapshots":[{"event_id":"sha256:0b075c46cdb0e7acf29bb10e23a9a9bbd5621bf60bf96b0da5ad2c4f4a6f7c79","target":"graph","created_at":"2026-05-17T23:50:03Z","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":"Isothermal-isobaric molecular dynamics simulations are used to examine the microscopic structure and some properties of water-methanol liquid mixture. The TIP4P/2005 and SPC/E water models are combined with the united atom TraPPE and the all-atom force field model for methanol. Our principal focus is to evaluate the quality of predictions of different combinations of model force fields concerning the composition dependence of basic properties of this system. Specifically, we explored the composition effects on density, excess molar volume and excess entropy, as well as on the surface tension a","authors_text":"H. Dominguez, M. Cruz Sanchez, O. Pizio","cross_cats":[],"headline":"","license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"cond-mat.soft","submitted_at":"2019-03-27T15:16:27Z","title":"Molecular dynamics simulations of the properties of water-methanol mixtures. Effects of force fields"},"references":{"count":0,"internal_anchors":0,"resolved_work":0,"sample":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1903.11479","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":"sha256:728dbc2c8e8c99039431b84078298459c8edf6dfbd19c65e262a1fec745e23d3","target":"record","created_at":"2026-05-17T23:50:03Z","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":"8fadfff890d9b59b0412daa2fe044ba134198ea372a80391b79357aee0bb31c8","cross_cats_sorted":[],"license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"cond-mat.soft","submitted_at":"2019-03-27T15:16:27Z","title_canon_sha256":"b978949b3470df1d3f77d9a66da13ce446c151fa89811ba62553936dd9859cb8"},"schema_version":"1.0","source":{"id":"1903.11479","kind":"arxiv","version":1}},"canonical_sha256":"ff3f37f87a6b0f308100e79a0cd62bb77c90143592b3c4f3b70a7309ec12b3d1","receipt":{"algorithm":"ed25519","builder_version":"pith-number-builder-2026-05-17-v1","canonical_sha256":"ff3f37f87a6b0f308100e79a0cd62bb77c90143592b3c4f3b70a7309ec12b3d1","first_computed_at":"2026-05-17T23:50:03.175357Z","key_id":"pith-v1-2026-05","kind":"pith_receipt","last_reissued_at":"2026-05-17T23:50:03.175357Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","receipt_version":"0.3","signature_b64":"RlnVFe+4lXsVkeJKy/N4nID6d2jfrt6bSfdAFKbHuq2rRSCeYQobt29whFdX1WA71HdUIUGy/wbbF8vH43dDBg==","signature_status":"signed_v1","signed_at":"2026-05-17T23:50:03.175816Z","signed_message":"canonical_sha256_bytes"},"source_id":"1903.11479","source_kind":"arxiv","source_version":1}}},"equivocations":[],"invalid_events":[],"applied_event_ids":["sha256:728dbc2c8e8c99039431b84078298459c8edf6dfbd19c65e262a1fec745e23d3","sha256:0b075c46cdb0e7acf29bb10e23a9a9bbd5621bf60bf96b0da5ad2c4f4a6f7c79"],"state_sha256":"ce9f1835866118a880b94fb9786710b0a838dd67c44777512398222483d6f4cb"},"bundle_signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"+GrDH2moOZbAqAifkkZMfwgncV8ZnaQ52FFc7UjtGuR+hDRdZVKUoFPQM3ajtFipZ83I+9zfCMGruslcIrvlBw==","signed_message":"bundle_sha256_bytes","signed_at":"2026-05-27T08:49:52.885997Z","bundle_sha256":"35b471e6e9e8e142d045ebf9c9938d84cc3835a36fdc5cff5ea739075c3c8b67"}}