{"bundle_type":"pith_open_graph_bundle","bundle_version":"1.0","pith_number":"pith:2015:SJLOJH7KZFYWKIHXWVUGXO3HHZ","short_pith_number":"pith:SJLOJH7K","canonical_record":{"source":{"id":"1503.03404","kind":"arxiv","version":3},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2015-03-11T16:21:15Z","cross_cats_sorted":["physics.comp-ph"],"title_canon_sha256":"280ef4eee4f88544d43ac92a51be5f07947b8b2e5532932d8f4dc8f3a178955a","abstract_canon_sha256":"e4cafc64550cbc538a8aba092937afc82989027d317d54da2c24bce675ace71c"},"schema_version":"1.0"},"canonical_sha256":"9256e49feac9716520f7b5686bbb673e4bd07719b37398ca1e7db350686343ec","source":{"kind":"arxiv","id":"1503.03404","version":3},"source_aliases":[{"alias_kind":"arxiv","alias_value":"1503.03404","created_at":"2026-05-18T01:14:36Z"},{"alias_kind":"arxiv_version","alias_value":"1503.03404v3","created_at":"2026-05-18T01:14:36Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.1503.03404","created_at":"2026-05-18T01:14:36Z"},{"alias_kind":"pith_short_12","alias_value":"SJLOJH7KZFYW","created_at":"2026-05-18T12:29:42Z"},{"alias_kind":"pith_short_16","alias_value":"SJLOJH7KZFYWKIHX","created_at":"2026-05-18T12:29:42Z"},{"alias_kind":"pith_short_8","alias_value":"SJLOJH7K","created_at":"2026-05-18T12:29:42Z"}],"events":[{"event_type":"record_created","subject_pith_number":"pith:2015:SJLOJH7KZFYWKIHXWVUGXO3HHZ","target":"record","payload":{"canonical_record":{"source":{"id":"1503.03404","kind":"arxiv","version":3},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2015-03-11T16:21:15Z","cross_cats_sorted":["physics.comp-ph"],"title_canon_sha256":"280ef4eee4f88544d43ac92a51be5f07947b8b2e5532932d8f4dc8f3a178955a","abstract_canon_sha256":"e4cafc64550cbc538a8aba092937afc82989027d317d54da2c24bce675ace71c"},"schema_version":"1.0"},"canonical_sha256":"9256e49feac9716520f7b5686bbb673e4bd07719b37398ca1e7db350686343ec","receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-05-18T01:14:36.099244Z","signature_b64":"AhspalrJ1GeNCv1xECJvDjzZsL1LJAdzR4m1QSTnJim9N7VwbDIqkc8cXgCaVp4J2KlNhhxq7h/GDn9Fhdm0Bw==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"9256e49feac9716520f7b5686bbb673e4bd07719b37398ca1e7db350686343ec","last_reissued_at":"2026-05-18T01:14:36.098518Z","signature_status":"signed_v1","first_computed_at":"2026-05-18T01:14:36.098518Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"source_kind":"arxiv","source_id":"1503.03404","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":"2026-05-18T01:14:36Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"hRSXvfXA9/A/OT3ltOZTY2stEhx4edGtVoWG9lHe1F5piPEchEvmHpWyLyAe7CXMEzap9fftOZ3GE/uKsjAiDg==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-06-01T10:45:19.802669Z"},"content_sha256":"cc402482b3a8d325ac618569777491048e40d59f1c2d91381a9d525832685289","schema_version":"1.0","event_id":"sha256:cc402482b3a8d325ac618569777491048e40d59f1c2d91381a9d525832685289"},{"event_type":"graph_snapshot","subject_pith_number":"pith:2015:SJLOJH7KZFYWKIHXWVUGXO3HHZ","target":"graph","payload":{"graph_snapshot":{"paper":{"title":"Determining pressure-temperature phase diagrams of materials","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":["physics.comp-ph"],"primary_cat":"cond-mat.mtrl-sci","authors_text":"Albert P. Bart\\'ok, G\\'abor Cs\\'anyi, L\\'ivia B. P\\'artay, Michael C. Payne, Robert J. N. Baldock","submitted_at":"2015-03-11T16:21:15Z","abstract_excerpt":"We extend the nested sampling algorithm to simulate materials under periodic boundary and constant pressure conditions, and show how it can be used to determine the complete equilibrium phase diagram, for a given potential energy function, efficiently and in a highly automated fashion. The only inputs required are the composition and the desired pressure and temperature ranges, in particular, solid-solid phase transitions are recovered without any a priori knowledge about the structure of solid phases. We benchmark and showcase the algorithm on the periodic Lennard-Jones system, aluminium and "},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1503.03404","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":"2026-05-18T01:14:36Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"hfVskYHQYwyDGK4S8H1KJI+gRDv+9KJPJz8j3PZia9CAcSzBZfhMo4JQ46i4+x5ASwqzqMWrtWwZEQNgXq87CQ==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-06-01T10:45:19.803018Z"},"content_sha256":"583200466de1ff15a9e34de0af54e9cf8486266b59c18ae450a48ad652a4af70","schema_version":"1.0","event_id":"sha256:583200466de1ff15a9e34de0af54e9cf8486266b59c18ae450a48ad652a4af70"}],"timestamp_proofs":[],"mirror_hints":[{"mirror_type":"https","name":"Pith Resolver","base_url":"https://pith.science","bundle_url":"https://pith.science/pith/SJLOJH7KZFYWKIHXWVUGXO3HHZ/bundle.json","state_url":"https://pith.science/pith/SJLOJH7KZFYWKIHXWVUGXO3HHZ/state.json","well_known_bundle_url":"https://pith.science/.well-known/pith/SJLOJH7KZFYWKIHXWVUGXO3HHZ/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":"2026-06-01T10:45:19Z","links":{"resolver":"https://pith.science/pith/SJLOJH7KZFYWKIHXWVUGXO3HHZ","bundle":"https://pith.science/pith/SJLOJH7KZFYWKIHXWVUGXO3HHZ/bundle.json","state":"https://pith.science/pith/SJLOJH7KZFYWKIHXWVUGXO3HHZ/state.json","well_known_bundle":"https://pith.science/.well-known/pith/SJLOJH7KZFYWKIHXWVUGXO3HHZ/bundle.json"},"state":{"state_type":"pith_open_graph_state","state_version":"1.0","pith_number":"pith:2015:SJLOJH7KZFYWKIHXWVUGXO3HHZ","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":"e4cafc64550cbc538a8aba092937afc82989027d317d54da2c24bce675ace71c","cross_cats_sorted":["physics.comp-ph"],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2015-03-11T16:21:15Z","title_canon_sha256":"280ef4eee4f88544d43ac92a51be5f07947b8b2e5532932d8f4dc8f3a178955a"},"schema_version":"1.0","source":{"id":"1503.03404","kind":"arxiv","version":3}},"source_aliases":[{"alias_kind":"arxiv","alias_value":"1503.03404","created_at":"2026-05-18T01:14:36Z"},{"alias_kind":"arxiv_version","alias_value":"1503.03404v3","created_at":"2026-05-18T01:14:36Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.1503.03404","created_at":"2026-05-18T01:14:36Z"},{"alias_kind":"pith_short_12","alias_value":"SJLOJH7KZFYW","created_at":"2026-05-18T12:29:42Z"},{"alias_kind":"pith_short_16","alias_value":"SJLOJH7KZFYWKIHX","created_at":"2026-05-18T12:29:42Z"},{"alias_kind":"pith_short_8","alias_value":"SJLOJH7K","created_at":"2026-05-18T12:29:42Z"}],"graph_snapshots":[{"event_id":"sha256:583200466de1ff15a9e34de0af54e9cf8486266b59c18ae450a48ad652a4af70","target":"graph","created_at":"2026-05-18T01:14:36Z","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":"We extend the nested sampling algorithm to simulate materials under periodic boundary and constant pressure conditions, and show how it can be used to determine the complete equilibrium phase diagram, for a given potential energy function, efficiently and in a highly automated fashion. The only inputs required are the composition and the desired pressure and temperature ranges, in particular, solid-solid phase transitions are recovered without any a priori knowledge about the structure of solid phases. We benchmark and showcase the algorithm on the periodic Lennard-Jones system, aluminium and ","authors_text":"Albert P. Bart\\'ok, G\\'abor Cs\\'anyi, L\\'ivia B. P\\'artay, Michael C. Payne, Robert J. N. Baldock","cross_cats":["physics.comp-ph"],"headline":"","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2015-03-11T16:21:15Z","title":"Determining pressure-temperature phase diagrams of materials"},"references":{"count":0,"internal_anchors":0,"resolved_work":0,"sample":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1503.03404","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:cc402482b3a8d325ac618569777491048e40d59f1c2d91381a9d525832685289","target":"record","created_at":"2026-05-18T01:14:36Z","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":"e4cafc64550cbc538a8aba092937afc82989027d317d54da2c24bce675ace71c","cross_cats_sorted":["physics.comp-ph"],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2015-03-11T16:21:15Z","title_canon_sha256":"280ef4eee4f88544d43ac92a51be5f07947b8b2e5532932d8f4dc8f3a178955a"},"schema_version":"1.0","source":{"id":"1503.03404","kind":"arxiv","version":3}},"canonical_sha256":"9256e49feac9716520f7b5686bbb673e4bd07719b37398ca1e7db350686343ec","receipt":{"algorithm":"ed25519","builder_version":"pith-number-builder-2026-05-17-v1","canonical_sha256":"9256e49feac9716520f7b5686bbb673e4bd07719b37398ca1e7db350686343ec","first_computed_at":"2026-05-18T01:14:36.098518Z","key_id":"pith-v1-2026-05","kind":"pith_receipt","last_reissued_at":"2026-05-18T01:14:36.098518Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","receipt_version":"0.3","signature_b64":"AhspalrJ1GeNCv1xECJvDjzZsL1LJAdzR4m1QSTnJim9N7VwbDIqkc8cXgCaVp4J2KlNhhxq7h/GDn9Fhdm0Bw==","signature_status":"signed_v1","signed_at":"2026-05-18T01:14:36.099244Z","signed_message":"canonical_sha256_bytes"},"source_id":"1503.03404","source_kind":"arxiv","source_version":3}}},"equivocations":[],"invalid_events":[],"applied_event_ids":["sha256:cc402482b3a8d325ac618569777491048e40d59f1c2d91381a9d525832685289","sha256:583200466de1ff15a9e34de0af54e9cf8486266b59c18ae450a48ad652a4af70"],"state_sha256":"b593e41332466a299392bb4dc91d1034ea3b66de50d7cb2611a13ab058ba5b3e"},"bundle_signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"PkyXFePyTsiZDFM3/7MatseAL7EO2Wvx24WlyP8RXXyYRRlqzZkAxDaU7j2opMLEvz5k3rHxMmO9xa2YLQ1wCw==","signed_message":"bundle_sha256_bytes","signed_at":"2026-06-01T10:45:19.805134Z","bundle_sha256":"72dae7159bdbcaccc703d5ae3302c82f02ecff8392336895c6521ae4163c623e"}}