{"bundle_type":"pith_open_graph_bundle","bundle_version":"1.0","pith_number":"pith:2019:DQIZRLNJJSBBEMEZNZE6SA6F5D","short_pith_number":"pith:DQIZRLNJ","canonical_record":{"source":{"id":"1908.02038","kind":"arxiv","version":4},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.comp-ph","submitted_at":"2019-08-06T09:27:29Z","cross_cats_sorted":["cond-mat.mtrl-sci"],"title_canon_sha256":"8edd5e838a2e6309d94e2f52a55f72f40955b22ad3f5ec5f7989e0cd5a556009","abstract_canon_sha256":"4ddb3ab7b17d8eb922d114530a0ccd4f71b5d00b0409a6e291a84a0c5cd4a7eb"},"schema_version":"1.0"},"canonical_sha256":"1c1198ada94c821230996e49e903c5e8cc04ca5a90f557c5870e9116b9e0483e","source":{"kind":"arxiv","id":"1908.02038","version":4},"source_aliases":[{"alias_kind":"arxiv","alias_value":"1908.02038","created_at":"2026-07-05T00:45:43Z"},{"alias_kind":"arxiv_version","alias_value":"1908.02038v4","created_at":"2026-07-05T00:45:43Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.1908.02038","created_at":"2026-07-05T00:45:43Z"},{"alias_kind":"pith_short_12","alias_value":"DQIZRLNJJSBB","created_at":"2026-07-05T00:45:43Z"},{"alias_kind":"pith_short_16","alias_value":"DQIZRLNJJSBBEMEZ","created_at":"2026-07-05T00:45:43Z"},{"alias_kind":"pith_short_8","alias_value":"DQIZRLNJ","created_at":"2026-07-05T00:45:43Z"}],"events":[{"event_type":"record_created","subject_pith_number":"pith:2019:DQIZRLNJJSBBEMEZNZE6SA6F5D","target":"record","payload":{"canonical_record":{"source":{"id":"1908.02038","kind":"arxiv","version":4},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.comp-ph","submitted_at":"2019-08-06T09:27:29Z","cross_cats_sorted":["cond-mat.mtrl-sci"],"title_canon_sha256":"8edd5e838a2e6309d94e2f52a55f72f40955b22ad3f5ec5f7989e0cd5a556009","abstract_canon_sha256":"4ddb3ab7b17d8eb922d114530a0ccd4f71b5d00b0409a6e291a84a0c5cd4a7eb"},"schema_version":"1.0"},"canonical_sha256":"1c1198ada94c821230996e49e903c5e8cc04ca5a90f557c5870e9116b9e0483e","receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-07-05T00:45:43.587358Z","signature_b64":"l5ZSOaLDzpycoNick4mFmS6f4Kkh2Sufmt4IegOrjSsd4jY678xiCDb7+TK/I+nzmDS9bgH+FyYzQIWsgTSpAA==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"1c1198ada94c821230996e49e903c5e8cc04ca5a90f557c5870e9116b9e0483e","last_reissued_at":"2026-07-05T00:45:43.586849Z","signature_status":"signed_v1","first_computed_at":"2026-07-05T00:45:43.586849Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"source_kind":"arxiv","source_id":"1908.02038","source_version":4,"attestation_state":"computed"},"signer":{"signer_id":"pith.science","signer_type":"pith_registry","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"created_at":"2026-07-05T00:45:43Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"350RPiPWa+4VRyKWb5U0QsC7wLYuv4OYPUSorpYkx3V5DB4v1Kvx6mzVj528QIIGRMgHWlL9LddRaL+FHImWAg==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-07-06T23:30:50.373766Z"},"content_sha256":"50119ebccb373c2ceec52bfd18797630a4f3d62e5acf4e28a33e44e388e54977","schema_version":"1.0","event_id":"sha256:50119ebccb373c2ceec52bfd18797630a4f3d62e5acf4e28a33e44e388e54977"},{"event_type":"graph_snapshot","subject_pith_number":"pith:2019:DQIZRLNJJSBBEMEZNZE6SA6F5D","target":"graph","payload":{"graph_snapshot":{"paper":{"title":"Assessment and optimization of the fast inertial relaxation engine (FIRE) for energy minimization in atomistic simulations and its implementation in LAMMPS","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":["cond-mat.mtrl-sci"],"primary_cat":"physics.comp-ph","authors_text":"Aruna Prakash, Aviral Vaid, Erik Bitzek, Fr\\'ed\\'eric Houll\\'e, Julien Gu\\'enol\\'e, Wolfram G. N\\\"ohring, Zhuocheng Xie","submitted_at":"2019-08-06T09:27:29Z","abstract_excerpt":"In atomistic simulations, pseudo-dynamics relaxation schemes often exhibit better performance and accuracy in finding local minima than line-search-based descent algorithms like steepest descent or conjugate gradient. Here, an improved version of the fast inertial relaxation engine (FIRE) and its implementation within the open-source code LAMMPS is presented. It is shown that the correct choice of time integration scheme and minimization parameters is crucial for performance."},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1908.02038","kind":"arxiv","version":4},"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/1908.02038/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":"2026-07-05T00:45:43Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"aTzQT2G7mOKOKZ1+M6TVIKocFGQFvU12WWIaycbnfdVWjOGOjh7SndIeFWVbrdDOav8Ogmf/bXlZO/qAhJMhCA==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-07-06T23:30:50.374136Z"},"content_sha256":"26b57eec123720f598762bb0b47a95146166ba4c7cf19f317d2ae3cae33dc8e8","schema_version":"1.0","event_id":"sha256:26b57eec123720f598762bb0b47a95146166ba4c7cf19f317d2ae3cae33dc8e8"}],"timestamp_proofs":[],"mirror_hints":[{"mirror_type":"https","name":"Pith Resolver","base_url":"https://pith.science","bundle_url":"https://pith.science/pith/DQIZRLNJJSBBEMEZNZE6SA6F5D/bundle.json","state_url":"https://pith.science/pith/DQIZRLNJJSBBEMEZNZE6SA6F5D/state.json","well_known_bundle_url":"https://pith.science/.well-known/pith/DQIZRLNJJSBBEMEZNZE6SA6F5D/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":"2026-07-06T23:30:50Z","links":{"resolver":"https://pith.science/pith/DQIZRLNJJSBBEMEZNZE6SA6F5D","bundle":"https://pith.science/pith/DQIZRLNJJSBBEMEZNZE6SA6F5D/bundle.json","state":"https://pith.science/pith/DQIZRLNJJSBBEMEZNZE6SA6F5D/state.json","well_known_bundle":"https://pith.science/.well-known/pith/DQIZRLNJJSBBEMEZNZE6SA6F5D/bundle.json"},"state":{"state_type":"pith_open_graph_state","state_version":"1.0","pith_number":"pith:2019:DQIZRLNJJSBBEMEZNZE6SA6F5D","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":"4ddb3ab7b17d8eb922d114530a0ccd4f71b5d00b0409a6e291a84a0c5cd4a7eb","cross_cats_sorted":["cond-mat.mtrl-sci"],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.comp-ph","submitted_at":"2019-08-06T09:27:29Z","title_canon_sha256":"8edd5e838a2e6309d94e2f52a55f72f40955b22ad3f5ec5f7989e0cd5a556009"},"schema_version":"1.0","source":{"id":"1908.02038","kind":"arxiv","version":4}},"source_aliases":[{"alias_kind":"arxiv","alias_value":"1908.02038","created_at":"2026-07-05T00:45:43Z"},{"alias_kind":"arxiv_version","alias_value":"1908.02038v4","created_at":"2026-07-05T00:45:43Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.1908.02038","created_at":"2026-07-05T00:45:43Z"},{"alias_kind":"pith_short_12","alias_value":"DQIZRLNJJSBB","created_at":"2026-07-05T00:45:43Z"},{"alias_kind":"pith_short_16","alias_value":"DQIZRLNJJSBBEMEZ","created_at":"2026-07-05T00:45:43Z"},{"alias_kind":"pith_short_8","alias_value":"DQIZRLNJ","created_at":"2026-07-05T00:45:43Z"}],"graph_snapshots":[{"event_id":"sha256:26b57eec123720f598762bb0b47a95146166ba4c7cf19f317d2ae3cae33dc8e8","target":"graph","created_at":"2026-07-05T00:45:43Z","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/1908.02038/integrity.json","findings":[],"snapshot_sha256":"c28c3603d3b5d939e8dc4c7e95fa8dfce3d595e45f758748cecf8e644a296938","summary":{"advisory":0,"by_detector":{},"critical":0,"informational":0}},"paper":{"abstract_excerpt":"In atomistic simulations, pseudo-dynamics relaxation schemes often exhibit better performance and accuracy in finding local minima than line-search-based descent algorithms like steepest descent or conjugate gradient. Here, an improved version of the fast inertial relaxation engine (FIRE) and its implementation within the open-source code LAMMPS is presented. It is shown that the correct choice of time integration scheme and minimization parameters is crucial for performance.","authors_text":"Aruna Prakash, Aviral Vaid, Erik Bitzek, Fr\\'ed\\'eric Houll\\'e, Julien Gu\\'enol\\'e, Wolfram G. N\\\"ohring, Zhuocheng Xie","cross_cats":["cond-mat.mtrl-sci"],"headline":"","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.comp-ph","submitted_at":"2019-08-06T09:27:29Z","title":"Assessment and optimization of the fast inertial relaxation engine (FIRE) for energy minimization in atomistic simulations and its implementation in LAMMPS"},"references":{"count":0,"internal_anchors":0,"resolved_work":0,"sample":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1908.02038","kind":"arxiv","version":4},"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":"sha256:50119ebccb373c2ceec52bfd18797630a4f3d62e5acf4e28a33e44e388e54977","target":"record","created_at":"2026-07-05T00:45:43Z","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":"4ddb3ab7b17d8eb922d114530a0ccd4f71b5d00b0409a6e291a84a0c5cd4a7eb","cross_cats_sorted":["cond-mat.mtrl-sci"],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.comp-ph","submitted_at":"2019-08-06T09:27:29Z","title_canon_sha256":"8edd5e838a2e6309d94e2f52a55f72f40955b22ad3f5ec5f7989e0cd5a556009"},"schema_version":"1.0","source":{"id":"1908.02038","kind":"arxiv","version":4}},"canonical_sha256":"1c1198ada94c821230996e49e903c5e8cc04ca5a90f557c5870e9116b9e0483e","receipt":{"algorithm":"ed25519","builder_version":"pith-number-builder-2026-05-17-v1","canonical_sha256":"1c1198ada94c821230996e49e903c5e8cc04ca5a90f557c5870e9116b9e0483e","first_computed_at":"2026-07-05T00:45:43.586849Z","key_id":"pith-v1-2026-05","kind":"pith_receipt","last_reissued_at":"2026-07-05T00:45:43.586849Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","receipt_version":"0.3","signature_b64":"l5ZSOaLDzpycoNick4mFmS6f4Kkh2Sufmt4IegOrjSsd4jY678xiCDb7+TK/I+nzmDS9bgH+FyYzQIWsgTSpAA==","signature_status":"signed_v1","signed_at":"2026-07-05T00:45:43.587358Z","signed_message":"canonical_sha256_bytes"},"source_id":"1908.02038","source_kind":"arxiv","source_version":4}}},"equivocations":[],"invalid_events":[],"applied_event_ids":["sha256:50119ebccb373c2ceec52bfd18797630a4f3d62e5acf4e28a33e44e388e54977","sha256:26b57eec123720f598762bb0b47a95146166ba4c7cf19f317d2ae3cae33dc8e8"],"state_sha256":"465d399102aa4f89c5405092b6ba21de6175a51162ef296f7b5bcbb404e808b3"},"bundle_signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"6I3Gn1Uusp+JMsSxUDEJSgqPPRYzmep+HizT9cCRICDVH1OGUH2Y7csL6a4fpAM9eDzWbOColcUkh5KmyFu1BA==","signed_message":"bundle_sha256_bytes","signed_at":"2026-07-06T23:30:50.376161Z","bundle_sha256":"b1f69fda31bd867c685388ddbe105cab10fe9abf9e8e02fdacfe507e26fe2cb0"}}