{"id":12499,"identifier":"CONCORDA/ZDGWFL","persistentUrl":"https://hdl.handle.net/21.15109/CONCORDA/ZDGWFL","protocol":"hdl","authority":"21.15109","publisher":"ARP","publicationDate":"2023-09-28","storageIdentifier":"s3-sztaki://21.15109/CONCORDA/ZDGWFL","metadataLanguage":"en","datasetVersion":{"id":2233,"datasetId":12499,"datasetPersistentId":"hdl:21.15109/CONCORDA/ZDGWFL","storageIdentifier":"s3-sztaki://21.15109/CONCORDA/ZDGWFL","versionNumber":1,"versionMinorNumber":0,"versionState":"RELEASED","UNF":"UNF:6:UTjajACSGnPBG+WxrKsGEA==","lastUpdateTime":"2023-09-28T06:32:20Z","releaseTime":"2023-09-28T06:32:20Z","createTime":"2023-09-25T10:55:24Z","publicationDate":"2023-09-28","citationDate":"2023-09-28","license":{"name":"CC BY 4.0","uri":"http://creativecommons.org/licenses/by/4.0","iconUri":"https://licensebuttons.net/l/by/4.0/88x31.png"},"fileAccessRequest":false,"metadataBlocks":{"citation":{"displayName":"Citation Metadata","name":"citation","fields":[{"typeName":"title","multiple":false,"typeClass":"primitive","value":"A generalized scheme for characterizing orientational correlations in condensed phases of high symmetry molecules: SF6 and C60"},{"typeName":"title_hu","multiple":false,"typeClass":"primitive","value":"Általános eljárás magas szimmetriájú molekulák kondenzált fázisain az orientációs elrendeződésekre vizsgálatára: SF6 és C60"},{"typeName":"alternativeURL","multiple":false,"typeClass":"primitive","value":"http://real.mtak.hu/129548/"},{"typeName":"author","multiple":true,"typeClass":"compound","value":[{"authorName":{"typeName":"authorName","multiple":false,"typeClass":"primitive","value":"Temleitner, Laszlo"},"authorAffiliation":{"typeName":"authorAffiliation","multiple":false,"typeClass":"primitive","value":"Wigner Research Centre for Physics"},"authorIdentifierScheme":{"typeName":"authorIdentifierScheme","multiple":false,"typeClass":"controlledVocabulary","value":"ORCID"},"authorIdentifier":{"typeName":"authorIdentifier","multiple":false,"typeClass":"primitive","value":"0000-0003-3411-9766"}}]},{"typeName":"datasetContact","multiple":true,"typeClass":"compound","value":[{"datasetContactName":{"typeName":"datasetContactName","multiple":false,"typeClass":"primitive","value":"Temleitner, Laszlo"},"datasetContactAffiliation":{"typeName":"datasetContactAffiliation","multiple":false,"typeClass":"primitive","value":"Wigner Research Centre for Physics"},"datasetContactEmail":{"typeName":"datasetContactEmail","multiple":false,"typeClass":"primitive","value":"temleitner.laszlo@wigner.hun-ren.hu"}}]},{"typeName":"dsDescription","multiple":true,"typeClass":"compound","value":[{"dsDescriptionValue":{"typeName":"dsDescriptionValue","multiple":false,"typeClass":"primitive","value":"Simulated datasets, and source code of the applied programs related to the publication appeared in Journal of Molecular Liquids Volume 341, 1 November 2021, 116916 (https://doi.org/10.1016/j.molliq.2021.116916) \n<br>\n<br>\nThe orientational correlation scheme introduced earlier for tetrahedral molecules is extended to being able to classify orientational correlations between pairs of high-symmetry molecules. While in the original algorithm, a given orientation of a pair of tetrahedral molecules is characterized unambiguously by the number of ligand atoms that can be found between two planes that contain each centre and perpendicular to the centre-centre connecting line, in the generalized algorithm, the planes are replaced by cones, whose apex angles are set according to the symmetry of each molecule. To demonstrate the method's applicability, the octahedral-shaped SF6 molecule is studied in a wide range of phases (gaseous, supercritical fluid, liquid and plastic crystalline) using classical molecular dynamics. By analyzing the orientational correlations, a close-contact region in the first coordination shell and a medium-range order behaviour are identified in the non-crystalline phases. While the former is invariant to changes in the density, the latter showed longer-ranged correlations as density is raised. In the plastic crystalline state, fluorine atoms are oriented along the lattice directions with higher probability. To test the method for icosahedral symmetries, the crystalline structures of room temperature C60 are generated by three sets of potentials that produce different local arrangements. The novel analysis provided quantitative results on preferred arrangements."},"dsDescriptionDate":{"typeName":"dsDescriptionDate","multiple":false,"typeClass":"primitive","value":"2023-09-25"}}]},{"typeName":"subject","multiple":true,"typeClass":"controlledVocabulary","value":["Physics","Chemistry"]},{"typeName":"keyword","multiple":true,"typeClass":"compound","value":[{"keywordValue":{"typeName":"keywordValue","multiple":false,"typeClass":"primitive","value":"Orientational correlations"}},{"keywordValue":{"typeName":"keywordValue","multiple":false,"typeClass":"primitive","value":"Molecular dynamic simulations"}},{"keywordValue":{"typeName":"keywordValue","multiple":false,"typeClass":"primitive","value":"Supercritical liquid"}},{"keywordValue":{"typeName":"keywordValue","multiple":false,"typeClass":"primitive","value":"Plastic crystal"}},{"keywordValue":{"typeName":"keywordValue","multiple":false,"typeClass":"primitive","value":"Fullerene"}}]},{"typeName":"publication","multiple":true,"typeClass":"compound","value":[{"publicationCitation":{"typeName":"publicationCitation","multiple":false,"typeClass":"primitive","value":"László Temleitner,\nA generalized scheme for characterizing orientational correlations in condensed phases of high symmetry molecules: SF6 and C60,\nJournal of Molecular Liquids,\nVolume 341,\n2021,\n116916,\nISSN 0167-7322"},"publicationIDType":{"typeName":"publicationIDType","multiple":false,"typeClass":"controlledVocabulary","value":"doi"},"publicationIDNumber":{"typeName":"publicationIDNumber","multiple":false,"typeClass":"primitive","value":"10.1016/j.molliq.2021.116916"},"publicationURL":{"typeName":"publicationURL","multiple":false,"typeClass":"primitive","value":"https://www.sciencedirect.com/science/article/pii/S0167732221016408"}}]},{"typeName":"language","multiple":true,"typeClass":"controlledVocabulary","value":["English"]},{"typeName":"grantNumber","multiple":true,"typeClass":"compound","value":[{"grantNumberAgency":{"typeName":"grantNumberAgency","multiple":false,"typeClass":"primitive","value":"National Research, Development and Innovation Office(NKFIH)"},"grantNumberValue":{"typeName":"grantNumberValue","multiple":false,"typeClass":"primitive","value":"KH130425"}}]},{"typeName":"depositor","multiple":false,"typeClass":"primitive","value":"Temleitner, Laszlo"},{"typeName":"dateOfDeposit","multiple":false,"typeClass":"primitive","value":"2023-09-25"}]},"geospatial":{"displayName":"Geospatial Metadata","name":"geospatial","fields":[]},"journal":{"displayName":"Journal Metadata","name":"journal","fields":[]}},"files":[{"label":"Configuration.cpp","restricted":false,"directoryLabel":"FIGURES_3_4_5/Simulation/Software","version":1,"datasetVersionId":2233,"dataFile":{"id":12517,"persistentId":"hdl:21.15109/CONCORDA/ZDGWFL/U6DBA0","pidURL":"https://hdl.handle.net/21.15109/CONCORDA/ZDGWFL/U6DBA0","filename":"Configuration.cpp","contentType":"text/x-c","friendlyType":"C++ Source","filesize":33336,"storageIdentifier":"s3-sztaki://concorda:18acbf5efd9-9fdf3f29964e","rootDataFileId":-1,"md5":"5c05f2eab3ac4e723333f3fea2a99fc7","checksum":{"type":"MD5","value":"5c05f2eab3ac4e723333f3fea2a99fc7"},"tabularData":false,"creationDate":"2023-09-25","publicationDate":"2023-09-28","fileAccessRequest":false}},{"label":"Configuration.h","restricted":false,"directoryLabel":"FIGURES_3_4_5/Simulation/Software","version":1,"datasetVersionId":2233,"dataFile":{"id":12529,"persistentId":"hdl:21.15109/CONCORDA/ZDGWFL/RNO5FD","pidURL":"https://hdl.handle.net/21.15109/CONCORDA/ZDGWFL/RNO5FD","filename":"Configuration.h","contentType":"text/x-c","friendlyType":"C++ Source","filesize":7651,"storageIdentifier":"s3-sztaki://concorda:18acbf5efc7-d2795a13e766","rootDataFileId":-1,"md5":"3fa43647b4e001cc2ce2bf03a7b4b63a","checksum":{"type":"MD5","value":"3fa43647b4e001cc2ce2bf03a7b4b63a"},"tabularData":false,"creationDate":"2023-09-25","publicationDate":"2023-09-28","fileAccessRequest":false}},{"label":"Grid.h","restricted":false,"directoryLabel":"FIGURES_3_4_5/Simulation/Software","version":1,"datasetVersionId":2233,"dataFile":{"id":12559,"persistentId":"hdl:21.15109/CONCORDA/ZDGWFL/SNMEJD","pidURL":"https://hdl.handle.net/21.15109/CONCORDA/ZDGWFL/SNMEJD","filename":"Grid.h","contentType":"text/x-c","friendlyType":"C++ Source","filesize":18099,"storageIdentifier":"s3-sztaki://concorda:18acbf5efb3-de6b2bc6d8c9","rootDataFileId":-1,"md5":"fdf57be00adb400b30652b2399d9a496","checksum":{"type":"MD5","value":"fdf57be00adb400b30652b2399d9a496"},"tabularData":false,"creationDate":"2023-09-25","publicationDate":"2023-09-28","fileAccessRequest":false}},{"label":"Makefile","restricted":false,"directoryLabel":"FIGURES_3_4_5/Simulation/Software","version":1,"datasetVersionId":2233,"dataFile":{"id":12585,"persistentId":"hdl:21.15109/CONCORDA/ZDGWFL/9YLLMV","pidURL":"https://hdl.handle.net/21.15109/CONCORDA/ZDGWFL/9YLLMV","filename":"Makefile","contentType":"text/plain; charset=US-ASCII","friendlyType":"Plain Text","filesize":1145,"storageIdentifier":"s3-sztaki://concorda:18acbf5efcd-6cee938ba72b","rootDataFileId":-1,"md5":"9b9f5f252b493b65abccb8f41157ec91","checksum":{"type":"MD5","value":"9b9f5f252b493b65abccb8f41157ec91"},"tabularData":false,"creationDate":"2023-09-25","publicationDate":"2023-09-28","fileAccessRequest":false}},{"label":"README","restricted":false,"directoryLabel":"METHODS","version":1,"datasetVersionId":2233,"dataFile":{"id":12511,"persistentId":"hdl:21.15109/CONCORDA/ZDGWFL/PN8QWQ","pidURL":"https://hdl.handle.net/21.15109/CONCORDA/ZDGWFL/PN8QWQ","filename":"README","contentType":"text/plain; charset=US-ASCII","friendlyType":"Plain Text","filesize":890,"storageIdentifier":"s3-sztaki://concorda:18acbf5eff1-be650b9c3f19","rootDataFileId":-1,"md5":"a4675e6c4ac384957c7f8f74656feef0","checksum":{"type":"MD5","value":"a4675e6c4ac384957c7f8f74656feef0"},"tabularData":false,"creationDate":"2023-09-25","publicationDate":"2023-09-28","fileAccessRequest":false}},{"label":"Space.h","restricted":false,"directoryLabel":"FIGURES_3_4_5/Simulation/Software","version":1,"datasetVersionId":2233,"dataFile":{"id":12593,"persistentId":"hdl:21.15109/CONCORDA/ZDGWFL/6NC464","pidURL":"https://hdl.handle.net/21.15109/CONCORDA/ZDGWFL/6NC464","filename":"Space.h","contentType":"text/x-c","friendlyType":"C++ Source","filesize":35750,"storageIdentifier":"s3-sztaki://concorda:18acbf5efc1-923536529020","rootDataFileId":-1,"md5":"757829c304c2b5b6e95430b88c038c4c","checksum":{"type":"MD5","value":"757829c304c2b5b6e95430b88c038c4c"},"tabularData":false,"creationDate":"2023-09-25","publicationDate":"2023-09-28","fileAccessRequest":false}},{"label":"calc_reys.sh","restricted":false,"directoryLabel":"FIGURES_3_4_5/Simulation/Software_inpts","version":1,"datasetVersionId":2233,"dataFile":{"id":12594,"persistentId":"hdl:21.15109/CONCORDA/ZDGWFL/9QWX8Z","pidURL":"https://hdl.handle.net/21.15109/CONCORDA/ZDGWFL/9QWX8Z","filename":"calc_reys.sh","contentType":"application/x-sh","friendlyType":"Shell Script","filesize":1023,"storageIdentifier":"s3-sztaki://concorda:18acbf5efe3-0c8fd3dfbb48","rootDataFileId":-1,"md5":"92d4adaface05083a27d65b9261bf39b","checksum":{"type":"MD5","value":"92d4adaface05083a27d65b9261bf39b"},"tabularData":false,"creationDate":"2023-09-25","publicationDate":"2023-09-28","fileAccessRequest":false}},{"label":"del_190_p_11_rey_summary.dat","restricted":false,"directoryLabel":"FIGURES_3_4_5/Simulation/Software_results","version":1,"datasetVersionId":2233,"dataFile":{"id":12592,"persistentId":"hdl:21.15109/CONCORDA/ZDGWFL/OMJHID","pidURL":"https://hdl.handle.net/21.15109/CONCORDA/ZDGWFL/OMJHID","filename":"del_190_p_11_rey_summary.dat","contentType":"text/x-fixed-field","friendlyType":"Fixed Field Text Data","filesize":61970,"storageIdentifier":"s3-sztaki://concorda:18acbf5ef7e-9a0985befd62","rootDataFileId":-1,"md5":"4f7f253226f648f3e26ce254fde3905c","checksum":{"type":"MD5","value":"4f7f253226f648f3e26ce254fde3905c"},"tabularData":false,"creationDate":"2023-09-25","publicationDate":"2023-09-28","fileAccessRequest":false}},{"label":"del_190_v_11_rey_summary.dat","restricted":false,"directoryLabel":"FIGURES_3_4_5/Simulation/Software_results","version":1,"datasetVersionId":2233,"dataFile":{"id":12546,"persistentId":"hdl:21.15109/CONCORDA/ZDGWFL/JVMFZH","pidURL":"https://hdl.handle.net/21.15109/CONCORDA/ZDGWFL/JVMFZH","filename":"del_190_v_11_rey_summary.dat","contentType":"text/x-fixed-field","friendlyType":"Fixed Field Text Data","filesize":61691,"storageIdentifier":"s3-sztaki://concorda:18acbf5ef50-fdc18567155c","rootDataFileId":-1,"md5":"ae0723ba6771961d3096d852164b4de1","checksum":{"type":"MD5","value":"ae0723ba6771961d3096d852164b4de1"},"tabularData":false,"creationDate":"2023-09-25","publicationDate":"2023-09-28","fileAccessRequest":false}},{"label":"del_225_p_11_rey_summary.dat","restricted":false,"directoryLabel":"FIGURES_3_4_5/Simulation/Software_results","version":1,"datasetVersionId":2233,"dataFile":{"id":12523,"persistentId":"hdl:21.15109/CONCORDA/ZDGWFL/O5DGNK","pidURL":"https://hdl.handle.net/21.15109/CONCORDA/ZDGWFL/O5DGNK","filename":"del_225_p_11_rey_summary.dat","contentType":"text/x-fixed-field","friendlyType":"Fixed Field Text Data","filesize":64469,"storageIdentifier":"s3-sztaki://concorda:18acbf5ef58-978a3d3e4507","rootDataFileId":-1,"md5":"6b11d1085f3064ce75dedcf291d644fb","checksum":{"type":"MD5","value":"6b11d1085f3064ce75dedcf291d644fb"},"tabularData":false,"creationDate":"2023-09-25","publicationDate":"2023-09-28","fileAccessRequest":false}},{"label":"del_225_v_11_rey_summary.dat","restricted":false,"directoryLabel":"FIGURES_3_4_5/Simulation/Software_results","version":1,"datasetVersionId":2233,"dataFile":{"id":12557,"persistentId":"hdl:21.15109/CONCORDA/ZDGWFL/XB2TIB","pidURL":"https://hdl.handle.net/21.15109/CONCORDA/ZDGWFL/XB2TIB","filename":"del_225_v_11_rey_summary.dat","contentType":"text/x-fixed-field","friendlyType":"Fixed Field Text Data","filesize":65849,"storageIdentifier":"s3-sztaki://concorda:18acbf5ef95-79a155470454","rootDataFileId":-1,"md5":"fffcbdd401bd131022050b951f49f85a","checksum":{"type":"MD5","value":"fffcbdd401bd131022050b951f49f85a"},"tabularData":false,"creationDate":"2023-09-25","publicationDate":"2023-09-28","fileAccessRequest":false}},{"label":"del_pow_v_11_rey_summary.dat","restricted":false,"directoryLabel":"FIGURES_3_4_5/Simulation/Software_results","version":1,"datasetVersionId":2233,"dataFile":{"id":12541,"persistentId":"hdl:21.15109/CONCORDA/ZDGWFL/3NUR8H","pidURL":"https://hdl.handle.net/21.15109/CONCORDA/ZDGWFL/3NUR8H","filename":"del_pow_v_11_rey_summary.dat","contentType":"text/x-fixed-field","friendlyType":"Fixed Field Text Data","filesize":201238,"storageIdentifier":"s3-sztaki://concorda:18acbf5ef74-064e41837788","rootDataFileId":-1,"md5":"8cbb0f0329c6360db760be8af366262d","checksum":{"type":"MD5","value":"8cbb0f0329c6360db760be8af366262d"},"tabularData":false,"creationDate":"2023-09-25","publicationDate":"2023-09-28","fileAccessRequest":false}},{"label":"del_str085_p_11_rey_summary.dat","restricted":false,"directoryLabel":"FIGURES_3_4_5/Simulation/Software_results","version":1,"datasetVersionId":2233,"dataFile":{"id":12556,"persistentId":"hdl:21.15109/CONCORDA/ZDGWFL/HCSUMK","pidURL":"https://hdl.handle.net/21.15109/CONCORDA/ZDGWFL/HCSUMK","filename":"del_str085_p_11_rey_summary.dat","contentType":"text/x-fixed-field","friendlyType":"Fixed Field Text Data","filesize":85275,"storageIdentifier":"s3-sztaki://concorda:18acbf5efa5-fc0c55fa1bf4","rootDataFileId":-1,"md5":"868639d414ebb2bf2220e437d5626cad","checksum":{"type":"MD5","value":"868639d414ebb2bf2220e437d5626cad"},"tabularData":false,"creationDate":"2023-09-25","publicationDate":"2023-09-28","fileAccessRequest":false}},{"label":"del_str085_v_11_rey_summary.dat","restricted":false,"directoryLabel":"FIGURES_3_4_5/Simulation/Software_results","version":1,"datasetVersionId":2233,"dataFile":{"id":12551,"persistentId":"hdl:21.15109/CONCORDA/ZDGWFL/W0ABL1","pidURL":"https://hdl.handle.net/21.15109/CONCORDA/ZDGWFL/W0ABL1","filename":"del_str085_v_11_rey_summary.dat","contentType":"text/x-fixed-field","friendlyType":"Fixed Field Text Data","filesize":85929,"storageIdentifier":"s3-sztaki://concorda:18acbf5ef6a-37f72295a6fa","rootDataFileId":-1,"md5":"5af1326e7dde7df80ff41d8f67b3ba87","checksum":{"type":"MD5","value":"5af1326e7dde7df80ff41d8f67b3ba87"},"tabularData":false,"creationDate":"2023-09-25","publicationDate":"2023-09-28","fileAccessRequest":false}},{"label":"del_str100_p_11_rey_summary.dat","restricted":false,"directoryLabel":"FIGURES_3_4_5/Simulation/Software_results","version":1,"datasetVersionId":2233,"dataFile":{"id":12510,"persistentId":"hdl:21.15109/CONCORDA/ZDGWFL/RATMNV","pidURL":"https://hdl.handle.net/21.15109/CONCORDA/ZDGWFL/RATMNV","filename":"del_str100_p_11_rey_summary.dat","contentType":"text/x-fixed-field","friendlyType":"Fixed Field Text Data","filesize":81734,"storageIdentifier":"s3-sztaki://concorda:18acbf5ef47-082e75a8ab26","rootDataFileId":-1,"md5":"256d36450fc12546765e2a0074a1d67a","checksum":{"type":"MD5","value":"256d36450fc12546765e2a0074a1d67a"},"tabularData":false,"creationDate":"2023-09-25","publicationDate":"2023-09-28","fileAccessRequest":false}},{"label":"del_str100_v_11_rey_summary.dat","restricted":false,"directoryLabel":"FIGURES_3_4_5/Simulation/Software_results","version":1,"datasetVersionId":2233,"dataFile":{"id":12508,"persistentId":"hdl:21.15109/CONCORDA/ZDGWFL/FDZGS3","pidURL":"https://hdl.handle.net/21.15109/CONCORDA/ZDGWFL/FDZGS3","filename":"del_str100_v_11_rey_summary.dat","contentType":"text/x-fixed-field","friendlyType":"Fixed Field Text Data","filesize":81416,"storageIdentifier":"s3-sztaki://concorda:18acbf5ef85-71b9beb9c590","rootDataFileId":-1,"md5":"3f19aa06bdbb259f4d995d6e8c90ef93","checksum":{"type":"MD5","value":"3f19aa06bdbb259f4d995d6e8c90ef93"},"tabularData":false,"creationDate":"2023-09-25","publicationDate":"2023-09-28","fileAccessRequest":false}},{"label":"del_str140_p_11_rey_summary.dat","restricted":false,"directoryLabel":"FIGURES_3_4_5/Simulation/Software_results","version":1,"datasetVersionId":2233,"dataFile":{"id":12571,"persistentId":"hdl:21.15109/CONCORDA/ZDGWFL/XBOAGH","pidURL":"https://hdl.handle.net/21.15109/CONCORDA/ZDGWFL/XBOAGH","filename":"del_str140_p_11_rey_summary.dat","contentType":"text/x-fixed-field","friendlyType":"Fixed Field Text Data","filesize":72058,"storageIdentifier":"s3-sztaki://concorda:18acbf5ef8e-feaab70daa95","rootDataFileId":-1,"md5":"1979b62185be46056c91a22e0d1910a3","checksum":{"type":"MD5","value":"1979b62185be46056c91a22e0d1910a3"},"tabularData":false,"creationDate":"2023-09-25","publicationDate":"2023-09-28","fileAccessRequest":false}},{"label":"del_str140_v_11_rey_summary.dat","restricted":false,"directoryLabel":"FIGURES_3_4_5/Simulation/Software_results","version":1,"datasetVersionId":2233,"dataFile":{"id":12565,"persistentId":"hdl:21.15109/CONCORDA/ZDGWFL/MAXGH4","pidURL":"https://hdl.handle.net/21.15109/CONCORDA/ZDGWFL/MAXGH4","filename":"del_str140_v_11_rey_summary.dat","contentType":"text/x-fixed-field","friendlyType":"Fixed Field Text Data","filesize":72209,"storageIdentifier":"s3-sztaki://concorda:18acbf5ef9d-bc2b903459b2","rootDataFileId":-1,"md5":"2aec23a2013c6660b644acd8874400cf","checksum":{"type":"MD5","value":"2aec23a2013c6660b644acd8874400cf"},"tabularData":false,"creationDate":"2023-09-25","publicationDate":"2023-09-28","fileAccessRequest":false}},{"label":"del_str185_p_11_rey_summary.dat","restricted":false,"directoryLabel":"FIGURES_3_4_5/Simulation/Software_results","version":1,"datasetVersionId":2233,"dataFile":{"id":12554,"persistentId":"hdl:21.15109/CONCORDA/ZDGWFL/CW6ISO","pidURL":"https://hdl.handle.net/21.15109/CONCORDA/ZDGWFL/CW6ISO","filename":"del_str185_p_11_rey_summary.dat","contentType":"text/x-fixed-field","friendlyType":"Fixed Field Text Data","filesize":64739,"storageIdentifier":"s3-sztaki://concorda:18acbf5efad-f724d788a7ca","rootDataFileId":-1,"md5":"39d1594117ec88c635747c22d698c72f","checksum":{"type":"MD5","value":"39d1594117ec88c635747c22d698c72f"},"tabularData":false,"creationDate":"2023-09-25","publicationDate":"2023-09-28","fileAccessRequest":false}},{"label":"del_str185_v_11_rey_summary.dat","restricted":false,"directoryLabel":"FIGURES_3_4_5/Simulation/Software_results","version":1,"datasetVersionId":2233,"dataFile":{"id":12505,"persistentId":"hdl:21.15109/CONCORDA/ZDGWFL/GQE01M","pidURL":"https://hdl.handle.net/21.15109/CONCORDA/ZDGWFL/GQE01M","filename":"del_str185_v_11_rey_summary.dat","contentType":"text/x-fixed-field","friendlyType":"Fixed Field Text Data","filesize":65420,"storageIdentifier":"s3-sztaki://concorda:18acbf5ef61-a4f236cd300b","rootDataFileId":-1,"md5":"bbf300af6cc99f6c6b0a48101213d18a","checksum":{"type":"MD5","value":"bbf300af6cc99f6c6b0a48101213d18a"},"tabularData":false,"creationDate":"2023-09-25","publicationDate":"2023-09-28","fileAccessRequest":false}},{"label":"extract_reys.cpp","restricted":false,"directoryLabel":"FIGURES_3_4_5/Simulation/Software","version":1,"datasetVersionId":2233,"dataFile":{"id":12566,"persistentId":"hdl:21.15109/CONCORDA/ZDGWFL/PEBNWN","pidURL":"https://hdl.handle.net/21.15109/CONCORDA/ZDGWFL/PEBNWN","filename":"extract_reys.cpp","contentType":"text/x-c","friendlyType":"C++ Source","filesize":45138,"storageIdentifier":"s3-sztaki://concorda:18acbf5efba-9d6fcfad5c36","rootDataFileId":-1,"md5":"0cadbc451c86a2ba3ae34fe40b457aef","checksum":{"type":"MD5","value":"0cadbc451c86a2ba3ae34fe40b457aef"},"tabularData":false,"creationDate":"2023-09-25","publicationDate":"2023-09-28","fileAccessRequest":false}},{"label":"figure_3.eps","restricted":false,"directoryLabel":"FIGURES_3_4_5","version":1,"datasetVersionId":2233,"dataFile":{"id":12596,"persistentId":"hdl:21.15109/CONCORDA/ZDGWFL/IGKPVB","pidURL":"https://hdl.handle.net/21.15109/CONCORDA/ZDGWFL/IGKPVB","filename":"figure_3.eps","contentType":"application/postscript","friendlyType":"Postscript","filesize":84479,"storageIdentifier":"s3-sztaki://concorda:18acbf5efeb-93c5a9ca1427","rootDataFileId":-1,"md5":"36a8d844b8076c244502d69b5797f361","checksum":{"type":"MD5","value":"36a8d844b8076c244502d69b5797f361"},"tabularData":false,"creationDate":"2023-09-25","publicationDate":"2023-09-28","fileAccessRequest":false}},{"label":"figure_4.eps","restricted":false,"directoryLabel":"FIGURES_3_4_5","version":1,"datasetVersionId":2233,"dataFile":{"id":12543,"persistentId":"hdl:21.15109/CONCORDA/ZDGWFL/YSIG4D","pidURL":"https://hdl.handle.net/21.15109/CONCORDA/ZDGWFL/YSIG4D","filename":"figure_4.eps","contentType":"application/postscript","friendlyType":"Postscript","filesize":170070,"storageIdentifier":"s3-sztaki://concorda:18acbf5ef16-f25ceaa91635","rootDataFileId":-1,"md5":"49f8d6e51704bc4fd9eb9bb370047d3a","checksum":{"type":"MD5","value":"49f8d6e51704bc4fd9eb9bb370047d3a"},"tabularData":false,"creationDate":"2023-09-25","publicationDate":"2023-09-28","fileAccessRequest":false}},{"label":"figure_5.eps","restricted":false,"directoryLabel":"FIGURES_3_4_5","version":1,"datasetVersionId":2233,"dataFile":{"id":12518,"persistentId":"hdl:21.15109/CONCORDA/ZDGWFL/4WEBDK","pidURL":"https://hdl.handle.net/21.15109/CONCORDA/ZDGWFL/4WEBDK","filename":"figure_5.eps","contentType":"application/postscript","friendlyType":"Postscript","filesize":56579,"storageIdentifier":"s3-sztaki://concorda:18acbf5ef22-9379944132ed","rootDataFileId":-1,"md5":"38f1aa9a872920c88e360b71195cbb95","checksum":{"type":"MD5","value":"38f1aa9a872920c88e360b71195cbb95"},"tabularData":false,"creationDate":"2023-09-25","publicationDate":"2023-09-28","fileAccessRequest":false}},{"label":"figure_6.eps","restricted":false,"directoryLabel":"FIGURE_6","version":1,"datasetVersionId":2233,"dataFile":{"id":12567,"persistentId":"hdl:21.15109/CONCORDA/ZDGWFL/57PLEP","pidURL":"https://hdl.handle.net/21.15109/CONCORDA/ZDGWFL/57PLEP","filename":"figure_6.eps","contentType":"application/postscript","friendlyType":"Postscript","filesize":102902,"storageIdentifier":"s3-sztaki://concorda:18acbf5ef0b-ccdc134fdb04","rootDataFileId":-1,"md5":"42cc7d3f29139322519858e0901613ac","checksum":{"type":"MD5","value":"42cc7d3f29139322519858e0901613ac"},"tabularData":false,"creationDate":"2023-09-25","publicationDate":"2023-09-28","fileAccessRequest":false}},{"label":"figure_6_data.tab","restricted":false,"directoryLabel":"FIGURE_6","version":3,"datasetVersionId":2233,"dataFile":{"id":12589,"persistentId":"hdl:21.15109/CONCORDA/ZDGWFL/U82MX2","pidURL":"https://hdl.handle.net/21.15109/CONCORDA/ZDGWFL/U82MX2","filename":"figure_6_data.tab","contentType":"text/tab-separated-values","friendlyType":"Tab-Delimited","filesize":842935,"storageIdentifier":"s3-sztaki://concorda:18acbf5eefb-44c789644770","originalFileFormat":"text/csv","originalFormatLabel":"Comma Separated Values","originalFileSize":843181,"originalFileName":"figure_6_data.csv","UNF":"UNF:6:+s/sqTrg4gx6WTdK7tyZPQ==","rootDataFileId":-1,"md5":"eb09892a048afe7687dedb4c3f75b717","checksum":{"type":"MD5","value":"eb09892a048afe7687dedb4c3f75b717"},"tabularData":true,"creationDate":"2023-09-25","publicationDate":"2023-09-28","fileAccessRequest":false}},{"label":"figure_6_data.xlsx","restricted":false,"directoryLabel":"FIGURE_6","version":1,"datasetVersionId":2233,"dataFile":{"id":12561,"persistentId":"hdl:21.15109/CONCORDA/ZDGWFL/IYSO3D","pidURL":"https://hdl.handle.net/21.15109/CONCORDA/ZDGWFL/IYSO3D","filename":"figure_6_data.xlsx","contentType":"application/vnd.openxmlformats-officedocument.spreadsheetml.sheet","friendlyType":"MS Excel Spreadsheet","filesize":706003,"storageIdentifier":"s3-sztaki://concorda:18acbf5eee2-1692d95e646b","rootDataFileId":-1,"md5":"2fe624d6636f055646e23f4afd43e12e","checksum":{"type":"MD5","value":"2fe624d6636f055646e23f4afd43e12e"},"tabularData":false,"creationDate":"2023-09-25","publicationDate":"2023-09-28","fileAccessRequest":false}},{"label":"figures_3_4_5_data.tab","restricted":false,"directoryLabel":"FIGURES_3_4_5","version":3,"datasetVersionId":2233,"dataFile":{"id":12526,"persistentId":"hdl:21.15109/CONCORDA/ZDGWFL/TUELWE","pidURL":"https://hdl.handle.net/21.15109/CONCORDA/ZDGWFL/TUELWE","filename":"figures_3_4_5_data.tab","contentType":"text/tab-separated-values","friendlyType":"Tab-Delimited","filesize":293984,"storageIdentifier":"s3-sztaki://concorda:18acbf5ef2f-10fdbd3eff16","originalFileFormat":"text/csv","originalFormatLabel":"Comma Separated Values","originalFileSize":294851,"originalFileName":"figures_3_4_5_data.csv","UNF":"UNF:6:AwSy7SbaTIKmm+/CuGnQsA==","rootDataFileId":-1,"md5":"509f30b3813bc75f2ce278bdeff22e57","checksum":{"type":"MD5","value":"509f30b3813bc75f2ce278bdeff22e57"},"tabularData":true,"creationDate":"2023-09-25","publicationDate":"2023-09-28","fileAccessRequest":false}},{"label":"figures_3_4_5_data.xlsx","restricted":false,"directoryLabel":"FIGURES_3_4_5","version":1,"datasetVersionId":2233,"dataFile":{"id":12532,"persistentId":"hdl:21.15109/CONCORDA/ZDGWFL/XNAINN","pidURL":"https://hdl.handle.net/21.15109/CONCORDA/ZDGWFL/XNAINN","filename":"figures_3_4_5_data.xlsx","contentType":"application/vnd.openxmlformats-officedocument.spreadsheetml.sheet","friendlyType":"MS Excel Spreadsheet","filesize":198743,"storageIdentifier":"s3-sztaki://concorda:18acbf5ef3d-d8d31f546b60","rootDataFileId":-1,"md5":"d852eb0e740e4cb6410bcca3efc29eec","checksum":{"type":"MD5","value":"d852eb0e740e4cb6410bcca3efc29eec"},"tabularData":false,"creationDate":"2023-09-25","publicationDate":"2023-09-28","fileAccessRequest":false}},{"label":"metaadatok.txt","restricted":false,"version":1,"datasetVersionId":2233,"dataFile":{"id":12548,"persistentId":"hdl:21.15109/CONCORDA/ZDGWFL/A5SEZY","pidURL":"https://hdl.handle.net/21.15109/CONCORDA/ZDGWFL/A5SEZY","filename":"metaadatok.txt","contentType":"text/plain","friendlyType":"Plain Text","filesize":1621,"storageIdentifier":"s3-sztaki://concorda:18acbf6562f-06dc6adb6725","rootDataFileId":-1,"md5":"e289cd3f20f7bc19e94837042f8a52a7","checksum":{"type":"MD5","value":"e289cd3f20f7bc19e94837042f8a52a7"},"tabularData":false,"creationDate":"2023-09-25","publicationDate":"2023-09-28","fileAccessRequest":false}},{"label":"prd.del_190_p.gro","restricted":false,"directoryLabel":"METHODS/Simulation/SF6/190K_1bar","version":1,"datasetVersionId":2233,"dataFile":{"id":12547,"persistentId":"hdl:21.15109/CONCORDA/ZDGWFL/X2B3P5","pidURL":"https://hdl.handle.net/21.15109/CONCORDA/ZDGWFL/X2B3P5","filename":"prd.del_190_p.gro","contentType":"application/octet-stream","friendlyType":"Unknown","filesize":2650761,"storageIdentifier":"s3-sztaki://concorda:18acbf6366a-0c7024d19d99","rootDataFileId":-1,"md5":"34bbf5e853c380b31bf8fc9c86277924","checksum":{"type":"MD5","value":"34bbf5e853c380b31bf8fc9c86277924"},"tabularData":false,"creationDate":"2023-09-25","publicationDate":"2023-09-28","fileAccessRequest":false}},{"label":"prd.del_190_p.mdp","restricted":false,"directoryLabel":"METHODS/Simulation/SF6/190K_1bar","version":1,"datasetVersionId":2233,"dataFile":{"id":12537,"persistentId":"hdl:21.15109/CONCORDA/ZDGWFL/DJDMXS","pidURL":"https://hdl.handle.net/21.15109/CONCORDA/ZDGWFL/DJDMXS","filename":"prd.del_190_p.mdp","contentType":"application/octet-stream","friendlyType":"Unknown","filesize":11942,"storageIdentifier":"s3-sztaki://concorda:18acbf62e93-5ad53f3ba0c1","rootDataFileId":-1,"md5":"a6e91612194bdfe5435bfdb65fc90721","checksum":{"type":"MD5","value":"a6e91612194bdfe5435bfdb65fc90721"},"tabularData":false,"creationDate":"2023-09-25","publicationDate":"2023-09-28","fileAccessRequest":false}},{"label":"prd.del_190_p.top","restricted":false,"directoryLabel":"METHODS/Simulation/SF6/190K_1bar","version":1,"datasetVersionId":2233,"dataFile":{"id":12587,"persistentId":"hdl:21.15109/CONCORDA/ZDGWFL/T6ZPQB","pidURL":"https://hdl.handle.net/21.15109/CONCORDA/ZDGWFL/T6ZPQB","filename":"prd.del_190_p.top","contentType":"application/octet-stream","friendlyType":"Unknown","filesize":3351,"storageIdentifier":"s3-sztaki://concorda:18acbf63679-3763d7f5cb67","rootDataFileId":-1,"md5":"7dd4f3e785ca93568fdbfa2488135d4e","checksum":{"type":"MD5","value":"7dd4f3e785ca93568fdbfa2488135d4e"},"tabularData":false,"creationDate":"2023-09-25","publicationDate":"2023-09-28","fileAccessRequest":false}},{"label":"prd.del_190_p.xtc","restricted":false,"directoryLabel":"METHODS/Simulation/SF6/190K_1bar","version":1,"datasetVersionId":2233,"dataFile":{"id":12524,"persistentId":"hdl:21.15109/CONCORDA/ZDGWFL/EILUG8","pidURL":"https://hdl.handle.net/21.15109/CONCORDA/ZDGWFL/EILUG8","filename":"prd.del_190_p.xtc","contentType":"application/octet-stream","friendlyType":"Unknown","filesize":153816964,"storageIdentifier":"s3-sztaki://concorda:18acbf6340a-7fd80057e35b","rootDataFileId":-1,"md5":"5f4aa10de3a4ab978ce69a5a46ee9583","checksum":{"type":"MD5","value":"5f4aa10de3a4ab978ce69a5a46ee9583"},"tabularData":false,"creationDate":"2023-09-25","publicationDate":"2023-09-28","fileAccessRequest":false}},{"label":"prd.del_190_v.gro","restricted":false,"directoryLabel":"METHODS/Simulation/SF6/190K_1bar","version":1,"datasetVersionId":2233,"dataFile":{"id":12595,"persistentId":"hdl:21.15109/CONCORDA/ZDGWFL/BQBQEX","pidURL":"https://hdl.handle.net/21.15109/CONCORDA/ZDGWFL/BQBQEX","filename":"prd.del_190_v.gro","contentType":"application/octet-stream","friendlyType":"Unknown","filesize":2650761,"storageIdentifier":"s3-sztaki://concorda:18acbf62e83-81c95a98cc15","rootDataFileId":-1,"md5":"5496fcb3a46068aefbf313831a1864b1","checksum":{"type":"MD5","value":"5496fcb3a46068aefbf313831a1864b1"},"tabularData":false,"creationDate":"2023-09-25","publicationDate":"2023-09-28","fileAccessRequest":false}},{"label":"prd.del_190_v.mdp","restricted":false,"directoryLabel":"METHODS/Simulation/SF6/190K_1bar","version":1,"datasetVersionId":2233,"dataFile":{"id":12533,"persistentId":"hdl:21.15109/CONCORDA/ZDGWFL/TU6BQC","pidURL":"https://hdl.handle.net/21.15109/CONCORDA/ZDGWFL/TU6BQC","filename":"prd.del_190_v.mdp","contentType":"application/octet-stream","friendlyType":"Unknown","filesize":11914,"storageIdentifier":"s3-sztaki://concorda:18acbf626c9-ff96e4fa69e0","rootDataFileId":-1,"md5":"951166aea566eab90175c84ea829bf58","checksum":{"type":"MD5","value":"951166aea566eab90175c84ea829bf58"},"tabularData":false,"creationDate":"2023-09-25","publicationDate":"2023-09-28","fileAccessRequest":false}},{"label":"prd.del_190_v.top","restricted":false,"directoryLabel":"METHODS/Simulation/SF6/190K_1bar","version":1,"datasetVersionId":2233,"dataFile":{"id":12503,"persistentId":"hdl:21.15109/CONCORDA/ZDGWFL/DFWTCS","pidURL":"https://hdl.handle.net/21.15109/CONCORDA/ZDGWFL/DFWTCS","filename":"prd.del_190_v.top","contentType":"application/octet-stream","friendlyType":"Unknown","filesize":3351,"storageIdentifier":"s3-sztaki://concorda:18acbf626cd-9239a955c4cf","rootDataFileId":-1,"md5":"7dd4f3e785ca93568fdbfa2488135d4e","checksum":{"type":"MD5","value":"7dd4f3e785ca93568fdbfa2488135d4e"},"tabularData":false,"creationDate":"2023-09-25","publicationDate":"2023-09-28","fileAccessRequest":false}},{"label":"prd.del_190_v.xtc","restricted":false,"directoryLabel":"METHODS/Simulation/SF6/190K_1bar","version":1,"datasetVersionId":2233,"dataFile":{"id":12539,"persistentId":"hdl:21.15109/CONCORDA/ZDGWFL/ZUT2JI","pidURL":"https://hdl.handle.net/21.15109/CONCORDA/ZDGWFL/ZUT2JI","filename":"prd.del_190_v.xtc","contentType":"application/octet-stream","friendlyType":"Unknown","filesize":153823712,"storageIdentifier":"s3-sztaki://concorda:18acbf62c3e-e9a6fd10ce37","rootDataFileId":-1,"md5":"4e7b6fa14637dcaf67ce15ad3eda47a7","checksum":{"type":"MD5","value":"4e7b6fa14637dcaf67ce15ad3eda47a7"},"tabularData":false,"creationDate":"2023-09-25","publicationDate":"2023-09-28","fileAccessRequest":false}},{"label":"prd.del_225_p.gro","restricted":false,"directoryLabel":"METHODS/Simulation/SF6/225K_10.1bar","version":1,"datasetVersionId":2233,"dataFile":{"id":12502,"persistentId":"hdl:21.15109/CONCORDA/ZDGWFL/8AZCUB","pidURL":"https://hdl.handle.net/21.15109/CONCORDA/ZDGWFL/8AZCUB","filename":"prd.del_225_p.gro","contentType":"application/octet-stream","friendlyType":"Unknown","filesize":2415057,"storageIdentifier":"s3-sztaki://concorda:18acbf60bf9-b85d446c1200","rootDataFileId":-1,"md5":"c0905b80389368278e6c0a0bb0a4657c","checksum":{"type":"MD5","value":"c0905b80389368278e6c0a0bb0a4657c"},"tabularData":false,"creationDate":"2023-09-25","publicationDate":"2023-09-28","fileAccessRequest":false}},{"label":"prd.del_225_p.mdp","restricted":false,"directoryLabel":"METHODS/Simulation/SF6/225K_10.1bar","version":1,"datasetVersionId":2233,"dataFile":{"id":12540,"persistentId":"hdl:21.15109/CONCORDA/ZDGWFL/0FTRHT","pidURL":"https://hdl.handle.net/21.15109/CONCORDA/ZDGWFL/0FTRHT","filename":"prd.del_225_p.mdp","contentType":"application/octet-stream","friendlyType":"Unknown","filesize":11942,"storageIdentifier":"s3-sztaki://concorda:18acbf60be5-1720f7121e46","rootDataFileId":-1,"md5":"abf88affc57305d68b7346b09c805af6","checksum":{"type":"MD5","value":"abf88affc57305d68b7346b09c805af6"},"tabularData":false,"creationDate":"2023-09-25","publicationDate":"2023-09-28","fileAccessRequest":false}},{"label":"prd.del_225_p.top","restricted":false,"directoryLabel":"METHODS/Simulation/SF6/225K_10.1bar","version":1,"datasetVersionId":2233,"dataFile":{"id":12512,"persistentId":"hdl:21.15109/CONCORDA/ZDGWFL/S0AUCP","pidURL":"https://hdl.handle.net/21.15109/CONCORDA/ZDGWFL/S0AUCP","filename":"prd.del_225_p.top","contentType":"application/octet-stream","friendlyType":"Unknown","filesize":3351,"storageIdentifier":"s3-sztaki://concorda:18acbf60bbb-afc03fbfe2a9","rootDataFileId":-1,"md5":"8c1061777ba888742ddd431a529ebff8","checksum":{"type":"MD5","value":"8c1061777ba888742ddd431a529ebff8"},"tabularData":false,"creationDate":"2023-09-25","publicationDate":"2023-09-28","fileAccessRequest":false}},{"label":"prd.del_225_p.xtc","restricted":false,"directoryLabel":"METHODS/Simulation/SF6/225K_10.1bar","version":1,"datasetVersionId":2233,"dataFile":{"id":12581,"persistentId":"hdl:21.15109/CONCORDA/ZDGWFL/AEOIQZ","pidURL":"https://hdl.handle.net/21.15109/CONCORDA/ZDGWFL/AEOIQZ","filename":"prd.del_225_p.xtc","contentType":"application/octet-stream","friendlyType":"Unknown","filesize":134021376,"storageIdentifier":"s3-sztaki://concorda:18acbf617aa-dc5dcfc29f60","rootDataFileId":-1,"md5":"c4c68a36964c1baaf195fe4a64486056","checksum":{"type":"MD5","value":"c4c68a36964c1baaf195fe4a64486056"},"tabularData":false,"creationDate":"2023-09-25","publicationDate":"2023-09-28","fileAccessRequest":false}},{"label":"prd.del_str085_p.gro","restricted":false,"directoryLabel":"METHODS/Simulation/SF6/398K_128bar","version":1,"datasetVersionId":2233,"dataFile":{"id":12552,"persistentId":"hdl:21.15109/CONCORDA/ZDGWFL/1AQQBI","pidURL":"https://hdl.handle.net/21.15109/CONCORDA/ZDGWFL/1AQQBI","filename":"prd.del_str085_p.gro","contentType":"application/octet-stream","friendlyType":"Unknown","filesize":2415057,"storageIdentifier":"s3-sztaki://concorda:18acbf60b9d-7448d95c3c91","rootDataFileId":-1,"md5":"03570420af64130d55bee118f9f1da09","checksum":{"type":"MD5","value":"03570420af64130d55bee118f9f1da09"},"tabularData":false,"creationDate":"2023-09-25","publicationDate":"2023-09-28","fileAccessRequest":false}},{"label":"prd.del_str085_p.mdp","restricted":false,"directoryLabel":"METHODS/Simulation/SF6/398K_128bar","version":1,"datasetVersionId":2233,"dataFile":{"id":12549,"persistentId":"hdl:21.15109/CONCORDA/ZDGWFL/Q1ZRMU","pidURL":"https://hdl.handle.net/21.15109/CONCORDA/ZDGWFL/Q1ZRMU","filename":"prd.del_str085_p.mdp","contentType":"application/octet-stream","friendlyType":"Unknown","filesize":11958,"storageIdentifier":"s3-sztaki://concorda:18acbf60bac-986ef6e826bb","rootDataFileId":-1,"md5":"731725223d7e870a72665074130bafd8","checksum":{"type":"MD5","value":"731725223d7e870a72665074130bafd8"},"tabularData":false,"creationDate":"2023-09-25","publicationDate":"2023-09-28","fileAccessRequest":false}},{"label":"prd.del_str085_p.top","restricted":false,"directoryLabel":"METHODS/Simulation/SF6/398K_128bar","version":1,"datasetVersionId":2233,"dataFile":{"id":12506,"persistentId":"hdl:21.15109/CONCORDA/ZDGWFL/JSANBW","pidURL":"https://hdl.handle.net/21.15109/CONCORDA/ZDGWFL/JSANBW","filename":"prd.del_str085_p.top","contentType":"application/octet-stream","friendlyType":"Unknown","filesize":3351,"storageIdentifier":"s3-sztaki://concorda:18acbf5fd76-c870e336700c","rootDataFileId":-1,"md5":"8c1061777ba888742ddd431a529ebff8","checksum":{"type":"MD5","value":"8c1061777ba888742ddd431a529ebff8"},"tabularData":false,"creationDate":"2023-09-25","publicationDate":"2023-09-28","fileAccessRequest":false}},{"label":"prd.del_str085_p.xtc","restricted":false,"directoryLabel":"METHODS/Simulation/SF6/398K_128bar","version":1,"datasetVersionId":2233,"dataFile":{"id":12586,"persistentId":"hdl:21.15109/CONCORDA/ZDGWFL/83HSXI","pidURL":"https://hdl.handle.net/21.15109/CONCORDA/ZDGWFL/83HSXI","filename":"prd.del_str085_p.xtc","contentType":"application/octet-stream","friendlyType":"Unknown","filesize":134439216,"storageIdentifier":"s3-sztaki://concorda:18acbf6025c-8456b4133434","rootDataFileId":-1,"md5":"6b3bee18d52a63a0955a5548ecf69621","checksum":{"type":"MD5","value":"6b3bee18d52a63a0955a5548ecf69621"},"tabularData":false,"creationDate":"2023-09-25","publicationDate":"2023-09-28","fileAccessRequest":false}},{"label":"prd.del_str100_p.gro","restricted":false,"directoryLabel":"METHODS/Simulation/SF6/398K_155bar","version":1,"datasetVersionId":2233,"dataFile":{"id":12564,"persistentId":"hdl:21.15109/CONCORDA/ZDGWFL/U2EMS1","pidURL":"https://hdl.handle.net/21.15109/CONCORDA/ZDGWFL/U2EMS1","filename":"prd.del_str100_p.gro","contentType":"application/octet-stream","friendlyType":"Unknown","filesize":2415057,"storageIdentifier":"s3-sztaki://concorda:18acbf63d00-66565a507c64","rootDataFileId":-1,"md5":"bcf401d36ad590abda60494d8405d71c","checksum":{"type":"MD5","value":"bcf401d36ad590abda60494d8405d71c"},"tabularData":false,"creationDate":"2023-09-25","publicationDate":"2023-09-28","fileAccessRequest":false}},{"label":"prd.del_str100_p.mdp","restricted":false,"directoryLabel":"METHODS/Simulation/SF6/398K_155bar","version":1,"datasetVersionId":2233,"dataFile":{"id":12560,"persistentId":"hdl:21.15109/CONCORDA/ZDGWFL/BMJF8W","pidURL":"https://hdl.handle.net/21.15109/CONCORDA/ZDGWFL/BMJF8W","filename":"prd.del_str100_p.mdp","contentType":"application/octet-stream","friendlyType":"Unknown","filesize":11959,"storageIdentifier":"s3-sztaki://concorda:18acbf643b0-3c1e780b4cc6","rootDataFileId":-1,"md5":"29330812fcfc2404cf0ad04165a06539","checksum":{"type":"MD5","value":"29330812fcfc2404cf0ad04165a06539"},"tabularData":false,"creationDate":"2023-09-25","publicationDate":"2023-09-28","fileAccessRequest":false}},{"label":"prd.del_str100_p.top","restricted":false,"directoryLabel":"METHODS/Simulation/SF6/398K_155bar","version":1,"datasetVersionId":2233,"dataFile":{"id":12580,"persistentId":"hdl:21.15109/CONCORDA/ZDGWFL/C3772F","pidURL":"https://hdl.handle.net/21.15109/CONCORDA/ZDGWFL/C3772F","filename":"prd.del_str100_p.top","contentType":"application/octet-stream","friendlyType":"Unknown","filesize":3351,"storageIdentifier":"s3-sztaki://concorda:18acbf643d1-8b9711b9a9f1","rootDataFileId":-1,"md5":"8c1061777ba888742ddd431a529ebff8","checksum":{"type":"MD5","value":"8c1061777ba888742ddd431a529ebff8"},"tabularData":false,"creationDate":"2023-09-25","publicationDate":"2023-09-28","fileAccessRequest":false}},{"label":"prd.del_str100_p.xtc","restricted":false,"directoryLabel":"METHODS/Simulation/SF6/398K_155bar","version":1,"datasetVersionId":2233,"dataFile":{"id":12528,"persistentId":"hdl:21.15109/CONCORDA/ZDGWFL/VRRC0E","pidURL":"https://hdl.handle.net/21.15109/CONCORDA/ZDGWFL/VRRC0E","filename":"prd.del_str100_p.xtc","contentType":"application/octet-stream","friendlyType":"Unknown","filesize":134581404,"storageIdentifier":"s3-sztaki://concorda:18acbf63b26-02f36210c744","rootDataFileId":-1,"md5":"f9277e4ada3906046b253bbc61ef6dc4","checksum":{"type":"MD5","value":"f9277e4ada3906046b253bbc61ef6dc4"},"tabularData":false,"creationDate":"2023-09-25","publicationDate":"2023-09-28","fileAccessRequest":false}},{"label":"prd.del_str140_p.gro","restricted":false,"directoryLabel":"METHODS/Simulation/SF6/398K_394bar","version":1,"datasetVersionId":2233,"dataFile":{"id":12535,"persistentId":"hdl:21.15109/CONCORDA/ZDGWFL/IGBMHS","pidURL":"https://hdl.handle.net/21.15109/CONCORDA/ZDGWFL/IGBMHS","filename":"prd.del_str140_p.gro","contentType":"application/octet-stream","friendlyType":"Unknown","filesize":2415057,"storageIdentifier":"s3-sztaki://concorda:18acbf626ba-13b5b18e0459","rootDataFileId":-1,"md5":"45bad08058b4ca69f962a1faecbe4a04","checksum":{"type":"MD5","value":"45bad08058b4ca69f962a1faecbe4a04"},"tabularData":false,"creationDate":"2023-09-25","publicationDate":"2023-09-28","fileAccessRequest":false}},{"label":"prd.del_str140_p.mdp","restricted":false,"directoryLabel":"METHODS/Simulation/SF6/398K_394bar","version":1,"datasetVersionId":2233,"dataFile":{"id":12590,"persistentId":"hdl:21.15109/CONCORDA/ZDGWFL/PZW0RC","pidURL":"https://hdl.handle.net/21.15109/CONCORDA/ZDGWFL/PZW0RC","filename":"prd.del_str140_p.mdp","contentType":"application/octet-stream","friendlyType":"Unknown","filesize":11959,"storageIdentifier":"s3-sztaki://concorda:18acbf61fd9-67e25b4067ee","rootDataFileId":-1,"md5":"955eab5d2028a7edd7e0edba6b89807d","checksum":{"type":"MD5","value":"955eab5d2028a7edd7e0edba6b89807d"},"tabularData":false,"creationDate":"2023-09-25","publicationDate":"2023-09-28","fileAccessRequest":false}},{"label":"prd.del_str140_p.top","restricted":false,"directoryLabel":"METHODS/Simulation/SF6/398K_394bar","version":1,"datasetVersionId":2233,"dataFile":{"id":12555,"persistentId":"hdl:21.15109/CONCORDA/ZDGWFL/C7QUUE","pidURL":"https://hdl.handle.net/21.15109/CONCORDA/ZDGWFL/C7QUUE","filename":"prd.del_str140_p.top","contentType":"application/octet-stream","friendlyType":"Unknown","filesize":3351,"storageIdentifier":"s3-sztaki://concorda:18acbf61fe1-756725d280cb","rootDataFileId":-1,"md5":"8c1061777ba888742ddd431a529ebff8","checksum":{"type":"MD5","value":"8c1061777ba888742ddd431a529ebff8"},"tabularData":false,"creationDate":"2023-09-25","publicationDate":"2023-09-28","fileAccessRequest":false}},{"label":"prd.del_str140_p.xtc","restricted":false,"directoryLabel":"METHODS/Simulation/SF6/398K_394bar","version":1,"datasetVersionId":2233,"dataFile":{"id":12500,"persistentId":"hdl:21.15109/CONCORDA/ZDGWFL/TIRK4F","pidURL":"https://hdl.handle.net/21.15109/CONCORDA/ZDGWFL/TIRK4F","filename":"prd.del_str140_p.xtc","contentType":"application/octet-stream","friendlyType":"Unknown","filesize":134128056,"storageIdentifier":"s3-sztaki://concorda:18acbf61e0e-e449ed5e2f8f","rootDataFileId":-1,"md5":"ef8e6178a7cbf9eb3565bc99e6db3930","checksum":{"type":"MD5","value":"ef8e6178a7cbf9eb3565bc99e6db3930"},"tabularData":false,"creationDate":"2023-09-25","publicationDate":"2023-09-28","fileAccessRequest":false}},{"label":"prd.del_str185_p.gro","restricted":false,"directoryLabel":"METHODS/Simulation/SF6/398K_1827bar","version":1,"datasetVersionId":2233,"dataFile":{"id":12525,"persistentId":"hdl:21.15109/CONCORDA/ZDGWFL/FKVXOD","pidURL":"https://hdl.handle.net/21.15109/CONCORDA/ZDGWFL/FKVXOD","filename":"prd.del_str185_p.gro","contentType":"application/octet-stream","friendlyType":"Unknown","filesize":2415057,"storageIdentifier":"s3-sztaki://concorda:18acbf5fd21-d19c97e0db90","rootDataFileId":-1,"md5":"21759df112819a118d3179e6a5cf348c","checksum":{"type":"MD5","value":"21759df112819a118d3179e6a5cf348c"},"tabularData":false,"creationDate":"2023-09-25","publicationDate":"2023-09-28","fileAccessRequest":false}},{"label":"prd.del_str185_p.mdp","restricted":false,"directoryLabel":"METHODS/Simulation/SF6/398K_1827bar","version":1,"datasetVersionId":2233,"dataFile":{"id":12598,"persistentId":"hdl:21.15109/CONCORDA/ZDGWFL/DYAOWF","pidURL":"https://hdl.handle.net/21.15109/CONCORDA/ZDGWFL/DYAOWF","filename":"prd.del_str185_p.mdp","contentType":"application/octet-stream","friendlyType":"Unknown","filesize":11960,"storageIdentifier":"s3-sztaki://concorda:18acbf5fd4d-e5f4988166ff","rootDataFileId":-1,"md5":"881d4553b8b0e876b421bb046c010fed","checksum":{"type":"MD5","value":"881d4553b8b0e876b421bb046c010fed"},"tabularData":false,"creationDate":"2023-09-25","publicationDate":"2023-09-28","fileAccessRequest":false}},{"label":"prd.del_str185_p.top","restricted":false,"directoryLabel":"METHODS/Simulation/SF6/398K_1827bar","version":1,"datasetVersionId":2233,"dataFile":{"id":12538,"persistentId":"hdl:21.15109/CONCORDA/ZDGWFL/I47RBK","pidURL":"https://hdl.handle.net/21.15109/CONCORDA/ZDGWFL/I47RBK","filename":"prd.del_str185_p.top","contentType":"application/octet-stream","friendlyType":"Unknown","filesize":3351,"storageIdentifier":"s3-sztaki://concorda:18acbf5fd07-07ae06f1e324","rootDataFileId":-1,"md5":"8c1061777ba888742ddd431a529ebff8","checksum":{"type":"MD5","value":"8c1061777ba888742ddd431a529ebff8"},"tabularData":false,"creationDate":"2023-09-25","publicationDate":"2023-09-28","fileAccessRequest":false}},{"label":"prd.del_str185_p.xtc","restricted":false,"directoryLabel":"METHODS/Simulation/SF6/398K_1827bar","version":1,"datasetVersionId":2233,"dataFile":{"id":12577,"persistentId":"hdl:21.15109/CONCORDA/ZDGWFL/KESAPS","pidURL":"https://hdl.handle.net/21.15109/CONCORDA/ZDGWFL/KESAPS","filename":"prd.del_str185_p.xtc","contentType":"application/octet-stream","friendlyType":"Unknown","filesize":134431832,"storageIdentifier":"s3-sztaki://concorda:18acbf5fb1e-80b31e11550e","rootDataFileId":-1,"md5":"cab0ffffa196ef2babd886a1d2b9a5e6","checksum":{"type":"MD5","value":"cab0ffffa196ef2babd886a1d2b9a5e6"},"tabularData":false,"creationDate":"2023-09-25","publicationDate":"2023-09-28","fileAccessRequest":false}},{"label":"prd.girifalco_nvt.gro","restricted":false,"directoryLabel":"METHODS/Simulation/C60/Girifalco_FlexibleMolecule","version":1,"datasetVersionId":2233,"dataFile":{"id":12534,"persistentId":"hdl:21.15109/CONCORDA/ZDGWFL/POIEDW","pidURL":"https://hdl.handle.net/21.15109/CONCORDA/ZDGWFL/POIEDW","filename":"prd.girifalco_nvt.gro","contentType":"application/octet-stream","friendlyType":"Unknown","filesize":3577007,"storageIdentifier":"s3-sztaki://concorda:18acbf64f94-f61068ba7be0","rootDataFileId":-1,"md5":"f90614a389b49d557b2dd1152fe2b79e","checksum":{"type":"MD5","value":"f90614a389b49d557b2dd1152fe2b79e"},"tabularData":false,"creationDate":"2023-09-25","publicationDate":"2023-09-28","fileAccessRequest":false}},{"label":"prd.girifalco_nvt.mdp","restricted":false,"directoryLabel":"METHODS/Simulation/C60/Girifalco_FlexibleMolecule","version":1,"datasetVersionId":2233,"dataFile":{"id":12568,"persistentId":"hdl:21.15109/CONCORDA/ZDGWFL/XZEXPM","pidURL":"https://hdl.handle.net/21.15109/CONCORDA/ZDGWFL/XZEXPM","filename":"prd.girifalco_nvt.mdp","contentType":"application/octet-stream","friendlyType":"Unknown","filesize":10877,"storageIdentifier":"s3-sztaki://concorda:18acbf64fad-8bb45c161df7","rootDataFileId":-1,"md5":"dcef216c8a2a5cde60237e23eca85e07","checksum":{"type":"MD5","value":"dcef216c8a2a5cde60237e23eca85e07"},"tabularData":false,"creationDate":"2023-09-25","publicationDate":"2023-09-28","fileAccessRequest":false}},{"label":"prd.girifalco_nvt.top","restricted":false,"directoryLabel":"METHODS/Simulation/C60/Girifalco_FlexibleMolecule","version":1,"datasetVersionId":2233,"dataFile":{"id":12531,"persistentId":"hdl:21.15109/CONCORDA/ZDGWFL/8VP43G","pidURL":"https://hdl.handle.net/21.15109/CONCORDA/ZDGWFL/8VP43G","filename":"prd.girifalco_nvt.top","contentType":"application/octet-stream","friendlyType":"Unknown","filesize":20292,"storageIdentifier":"s3-sztaki://concorda:18acbf64fa8-3fb29a6049ac","rootDataFileId":-1,"md5":"d95675be3752ba95d3db6f6ba6e5da47","checksum":{"type":"MD5","value":"d95675be3752ba95d3db6f6ba6e5da47"},"tabularData":false,"creationDate":"2023-09-25","publicationDate":"2023-09-28","fileAccessRequest":false}},{"label":"prd.girifalco_nvt.xtc","restricted":false,"directoryLabel":"METHODS/Simulation/C60/Girifalco_FlexibleMolecule","version":1,"datasetVersionId":2233,"dataFile":{"id":12509,"persistentId":"hdl:21.15109/CONCORDA/ZDGWFL/4PZTIG","pidURL":"https://hdl.handle.net/21.15109/CONCORDA/ZDGWFL/4PZTIG","filename":"prd.girifalco_nvt.xtc","contentType":"application/octet-stream","friendlyType":"Unknown","filesize":21227788,"storageIdentifier":"s3-sztaki://concorda:18acbf64f2a-b64a04e82eb7","rootDataFileId":-1,"md5":"302fd9d83cddc8f6f40a5d029390145f","checksum":{"type":"MD5","value":"302fd9d83cddc8f6f40a5d029390145f"},"tabularData":false,"creationDate":"2023-09-25","publicationDate":"2023-09-28","fileAccessRequest":false}},{"label":"prd.lu_nvt_300K.gro","restricted":false,"directoryLabel":"METHODS/Simulation/C60/Lu_FlexibleMolecule","version":1,"datasetVersionId":2233,"dataFile":{"id":12514,"persistentId":"hdl:21.15109/CONCORDA/ZDGWFL/QRIB57","pidURL":"https://hdl.handle.net/21.15109/CONCORDA/ZDGWFL/QRIB57","filename":"prd.lu_nvt_300K.gro","contentType":"application/octet-stream","friendlyType":"Unknown","filesize":21196848,"storageIdentifier":"s3-sztaki://concorda:18acbf65043-dccb94c4c051","rootDataFileId":-1,"md5":"31fec725ea88885d51ee93ce3a6591bf","checksum":{"type":"MD5","value":"31fec725ea88885d51ee93ce3a6591bf"},"tabularData":false,"creationDate":"2023-09-25","publicationDate":"2023-09-28","fileAccessRequest":false}},{"label":"prd.lu_nvt_300K.mdp","restricted":false,"directoryLabel":"METHODS/Simulation/C60/Lu_FlexibleMolecule","version":1,"datasetVersionId":2233,"dataFile":{"id":12501,"persistentId":"hdl:21.15109/CONCORDA/ZDGWFL/NQQYSJ","pidURL":"https://hdl.handle.net/21.15109/CONCORDA/ZDGWFL/NQQYSJ","filename":"prd.lu_nvt_300K.mdp","contentType":"application/octet-stream","friendlyType":"Unknown","filesize":10852,"storageIdentifier":"s3-sztaki://concorda:18acbf6562b-ac012b5f649d","rootDataFileId":-1,"md5":"6f242d16b5891f863bebead1d7a0b24c","checksum":{"type":"MD5","value":"6f242d16b5891f863bebead1d7a0b24c"},"tabularData":false,"creationDate":"2023-09-25","publicationDate":"2023-09-28","fileAccessRequest":false}},{"label":"prd.lu_nvt_300K.top","restricted":false,"directoryLabel":"METHODS/Simulation/C60/Lu_FlexibleMolecule","version":1,"datasetVersionId":2233,"dataFile":{"id":12579,"persistentId":"hdl:21.15109/CONCORDA/ZDGWFL/IC3UQD","pidURL":"https://hdl.handle.net/21.15109/CONCORDA/ZDGWFL/IC3UQD","filename":"prd.lu_nvt_300K.top","contentType":"application/octet-stream","friendlyType":"Unknown","filesize":30175,"storageIdentifier":"s3-sztaki://concorda:18acbf65093-efde17f5786a","rootDataFileId":-1,"md5":"ecc1227139fc39d04dc8d66d4a505a4a","checksum":{"type":"MD5","value":"ecc1227139fc39d04dc8d66d4a505a4a"},"tabularData":false,"creationDate":"2023-09-25","publicationDate":"2023-09-28","fileAccessRequest":false}},{"label":"prd.lu_nvt_300K.xtc","restricted":false,"directoryLabel":"METHODS/Simulation/C60/Lu_FlexibleMolecule","version":1,"datasetVersionId":2233,"dataFile":{"id":12563,"persistentId":"hdl:21.15109/CONCORDA/ZDGWFL/BZHTJJ","pidURL":"https://hdl.handle.net/21.15109/CONCORDA/ZDGWFL/BZHTJJ","filename":"prd.lu_nvt_300K.xtc","contentType":"application/octet-stream","friendlyType":"Unknown","filesize":124720956,"storageIdentifier":"s3-sztaki://concorda:18acbf65464-232810d0ff58","rootDataFileId":-1,"md5":"bd318673d7d3f4104fb8219b6757576f","checksum":{"type":"MD5","value":"bd318673d7d3f4104fb8219b6757576f"},"tabularData":false,"creationDate":"2023-09-25","publicationDate":"2023-09-28","fileAccessRequest":false}},{"label":"prd.sprik_nvt_300K_rigid.gro","restricted":false,"directoryLabel":"METHODS/Simulation/C60/Sprik_RigidMolecule","version":1,"datasetVersionId":2233,"dataFile":{"id":12519,"persistentId":"hdl:21.15109/CONCORDA/ZDGWFL/LPZTOQ","pidURL":"https://hdl.handle.net/21.15109/CONCORDA/ZDGWFL/LPZTOQ","filename":"prd.sprik_nvt_300K_rigid.gro","contentType":"application/octet-stream","friendlyType":"Unknown","filesize":12718128,"storageIdentifier":"s3-sztaki://concorda:18acbf64b06-349e0ccf7ed8","rootDataFileId":-1,"md5":"a422b2da543bc077d7b898b57d1174c0","checksum":{"type":"MD5","value":"a422b2da543bc077d7b898b57d1174c0"},"tabularData":false,"creationDate":"2023-09-25","publicationDate":"2023-09-28","fileAccessRequest":false}},{"label":"prd.sprik_nvt_300K_rigid.mdp","restricted":false,"directoryLabel":"METHODS/Simulation/C60/Sprik_RigidMolecule","version":1,"datasetVersionId":2233,"dataFile":{"id":12521,"persistentId":"hdl:21.15109/CONCORDA/ZDGWFL/VTXCYJ","pidURL":"https://hdl.handle.net/21.15109/CONCORDA/ZDGWFL/VTXCYJ","filename":"prd.sprik_nvt_300K_rigid.mdp","contentType":"application/octet-stream","friendlyType":"Unknown","filesize":10906,"storageIdentifier":"s3-sztaki://concorda:18acbf64b37-ef4814066b41","rootDataFileId":-1,"md5":"a02173c5d8918c156cacde93be8d0e8c","checksum":{"type":"MD5","value":"a02173c5d8918c156cacde93be8d0e8c"},"tabularData":false,"creationDate":"2023-09-25","publicationDate":"2023-09-28","fileAccessRequest":false}},{"label":"prd.sprik_nvt_300K_rigid.top","restricted":false,"directoryLabel":"METHODS/Simulation/C60/Sprik_RigidMolecule","version":1,"datasetVersionId":2233,"dataFile":{"id":12591,"persistentId":"hdl:21.15109/CONCORDA/ZDGWFL/JUI34R","pidURL":"https://hdl.handle.net/21.15109/CONCORDA/ZDGWFL/JUI34R","filename":"prd.sprik_nvt_300K_rigid.top","contentType":"application/octet-stream","friendlyType":"Unknown","filesize":47174,"storageIdentifier":"s3-sztaki://concorda:18acbf64b3b-a3b4ebc5bb7a","rootDataFileId":-1,"md5":"fc1407294d35f6326de5ce35e108a3c0","checksum":{"type":"MD5","value":"fc1407294d35f6326de5ce35e108a3c0"},"tabularData":false,"creationDate":"2023-09-25","publicationDate":"2023-09-28","fileAccessRequest":false}},{"label":"prd.sprik_nvt_300K_rigid.xtc","restricted":false,"directoryLabel":"METHODS/Simulation/C60/Sprik_RigidMolecule","version":1,"datasetVersionId":2233,"dataFile":{"id":12527,"persistentId":"hdl:21.15109/CONCORDA/ZDGWFL/INAACW","pidURL":"https://hdl.handle.net/21.15109/CONCORDA/ZDGWFL/INAACW","filename":"prd.sprik_nvt_300K_rigid.xtc","contentType":"application/octet-stream","friendlyType":"Unknown","filesize":76146360,"storageIdentifier":"s3-sztaki://concorda:18acbf64d7a-89646f4a7f78","rootDataFileId":-1,"md5":"c3145a91b5420f12b16e200475bd4db8","checksum":{"type":"MD5","value":"c3145a91b5420f12b16e200475bd4db8"},"tabularData":false,"creationDate":"2023-09-25","publicationDate":"2023-09-28","fileAccessRequest":false}},{"label":"prd2.del_225_v.gro","restricted":false,"directoryLabel":"METHODS/Simulation/SF6/225K_10.1bar","version":1,"datasetVersionId":2233,"dataFile":{"id":12550,"persistentId":"hdl:21.15109/CONCORDA/ZDGWFL/MBF3BG","pidURL":"https://hdl.handle.net/21.15109/CONCORDA/ZDGWFL/MBF3BG","filename":"prd2.del_225_v.gro","contentType":"application/octet-stream","friendlyType":"Unknown","filesize":2415057,"storageIdentifier":"s3-sztaki://concorda:18acbf60bd2-8b516d8e08ce","rootDataFileId":-1,"md5":"ca275f1c34b9d887b73b92e3a097d94c","checksum":{"type":"MD5","value":"ca275f1c34b9d887b73b92e3a097d94c"},"tabularData":false,"creationDate":"2023-09-25","publicationDate":"2023-09-28","fileAccessRequest":false}},{"label":"prd2.del_225_v.mdp","restricted":false,"directoryLabel":"METHODS/Simulation/SF6/225K_10.1bar","version":1,"datasetVersionId":2233,"dataFile":{"id":12544,"persistentId":"hdl:21.15109/CONCORDA/ZDGWFL/RKJTUB","pidURL":"https://hdl.handle.net/21.15109/CONCORDA/ZDGWFL/RKJTUB","filename":"prd2.del_225_v.mdp","contentType":"application/octet-stream","friendlyType":"Unknown","filesize":11916,"storageIdentifier":"s3-sztaki://concorda:18acbf60bb7-1b4c98340527","rootDataFileId":-1,"md5":"f234d429e240cdad4a2aa240f0c316d2","checksum":{"type":"MD5","value":"f234d429e240cdad4a2aa240f0c316d2"},"tabularData":false,"creationDate":"2023-09-25","publicationDate":"2023-09-28","fileAccessRequest":false}},{"label":"prd2.del_225_v.top","restricted":false,"directoryLabel":"METHODS/Simulation/SF6/225K_10.1bar","version":1,"datasetVersionId":2233,"dataFile":{"id":12583,"persistentId":"hdl:21.15109/CONCORDA/ZDGWFL/NCBVWD","pidURL":"https://hdl.handle.net/21.15109/CONCORDA/ZDGWFL/NCBVWD","filename":"prd2.del_225_v.top","contentType":"application/octet-stream","friendlyType":"Unknown","filesize":3351,"storageIdentifier":"s3-sztaki://concorda:18acbf60be0-74d838cd57f2","rootDataFileId":-1,"md5":"8c1061777ba888742ddd431a529ebff8","checksum":{"type":"MD5","value":"8c1061777ba888742ddd431a529ebff8"},"tabularData":false,"creationDate":"2023-09-25","publicationDate":"2023-09-28","fileAccessRequest":false}},{"label":"prd2.del_225_v.xtc","restricted":false,"directoryLabel":"METHODS/Simulation/SF6/225K_10.1bar","version":1,"datasetVersionId":2233,"dataFile":{"id":12578,"persistentId":"hdl:21.15109/CONCORDA/ZDGWFL/OH1RB3","pidURL":"https://hdl.handle.net/21.15109/CONCORDA/ZDGWFL/OH1RB3","filename":"prd2.del_225_v.xtc","contentType":"application/octet-stream","friendlyType":"Unknown","filesize":134305388,"storageIdentifier":"s3-sztaki://concorda:18acbf61139-61cb3cbde6f2","rootDataFileId":-1,"md5":"358fe37225dba6c7df24f6ee6a15e1a5","checksum":{"type":"MD5","value":"358fe37225dba6c7df24f6ee6a15e1a5"},"tabularData":false,"creationDate":"2023-09-25","publicationDate":"2023-09-28","fileAccessRequest":false}},{"label":"prd2.del_pow_v.gro","restricted":false,"directoryLabel":"METHODS/Simulation/SF6/293.15K_10.2bar","version":1,"datasetVersionId":2233,"dataFile":{"id":12530,"persistentId":"hdl:21.15109/CONCORDA/ZDGWFL/EHBQC1","pidURL":"https://hdl.handle.net/21.15109/CONCORDA/ZDGWFL/EHBQC1","filename":"prd2.del_pow_v.gro","contentType":"application/octet-stream","friendlyType":"Unknown","filesize":2415057,"storageIdentifier":"s3-sztaki://concorda:18acbf64a9c-97b240ba1db1","rootDataFileId":-1,"md5":"94677292b6d7b8ad6016747cfc77a3d4","checksum":{"type":"MD5","value":"94677292b6d7b8ad6016747cfc77a3d4"},"tabularData":false,"creationDate":"2023-09-25","publicationDate":"2023-09-28","fileAccessRequest":false}},{"label":"prd2.del_pow_v.mdp","restricted":false,"directoryLabel":"METHODS/Simulation/SF6/293.15K_10.2bar","version":1,"datasetVersionId":2233,"dataFile":{"id":12558,"persistentId":"hdl:21.15109/CONCORDA/ZDGWFL/5IH9MV","pidURL":"https://hdl.handle.net/21.15109/CONCORDA/ZDGWFL/5IH9MV","filename":"prd2.del_pow_v.mdp","contentType":"application/octet-stream","friendlyType":"Unknown","filesize":11918,"storageIdentifier":"s3-sztaki://concorda:18acbf64aa8-e7fa16cb0490","rootDataFileId":-1,"md5":"1b1dcc6856bd7f6029568b9a2f7f1846","checksum":{"type":"MD5","value":"1b1dcc6856bd7f6029568b9a2f7f1846"},"tabularData":false,"creationDate":"2023-09-25","publicationDate":"2023-09-28","fileAccessRequest":false}},{"label":"prd2.del_pow_v.top","restricted":false,"directoryLabel":"METHODS/Simulation/SF6/293.15K_10.2bar","version":1,"datasetVersionId":2233,"dataFile":{"id":12553,"persistentId":"hdl:21.15109/CONCORDA/ZDGWFL/SFCIQB","pidURL":"https://hdl.handle.net/21.15109/CONCORDA/ZDGWFL/SFCIQB","filename":"prd2.del_pow_v.top","contentType":"application/octet-stream","friendlyType":"Unknown","filesize":3351,"storageIdentifier":"s3-sztaki://concorda:18acbf64a83-9f7e001345cb","rootDataFileId":-1,"md5":"8c1061777ba888742ddd431a529ebff8","checksum":{"type":"MD5","value":"8c1061777ba888742ddd431a529ebff8"},"tabularData":false,"creationDate":"2023-09-25","publicationDate":"2023-09-28","fileAccessRequest":false}},{"label":"prd2.del_pow_v.xtc","restricted":false,"directoryLabel":"METHODS/Simulation/SF6/293.15K_10.2bar","version":1,"datasetVersionId":2233,"dataFile":{"id":12507,"persistentId":"hdl:21.15109/CONCORDA/ZDGWFL/YWCGUE","pidURL":"https://hdl.handle.net/21.15109/CONCORDA/ZDGWFL/YWCGUE","filename":"prd2.del_pow_v.xtc","contentType":"application/octet-stream","friendlyType":"Unknown","filesize":134936772,"storageIdentifier":"s3-sztaki://concorda:18acbf6486b-7dd8afaebc79","rootDataFileId":-1,"md5":"4e9afbdb82b6494be338f1419a566799","checksum":{"type":"MD5","value":"4e9afbdb82b6494be338f1419a566799"},"tabularData":false,"creationDate":"2023-09-25","publicationDate":"2023-09-28","fileAccessRequest":false}},{"label":"prd2.del_str085_v.gro","restricted":false,"directoryLabel":"METHODS/Simulation/SF6/398K_128bar","version":1,"datasetVersionId":2233,"dataFile":{"id":12515,"persistentId":"hdl:21.15109/CONCORDA/ZDGWFL/MMMPPO","pidURL":"https://hdl.handle.net/21.15109/CONCORDA/ZDGWFL/MMMPPO","filename":"prd2.del_str085_v.gro","contentType":"application/octet-stream","friendlyType":"Unknown","filesize":2415057,"storageIdentifier":"s3-sztaki://concorda:18acbf5fd65-9733678c192f","rootDataFileId":-1,"md5":"8d019d72024571a91413d30bc1b91cdf","checksum":{"type":"MD5","value":"8d019d72024571a91413d30bc1b91cdf"},"tabularData":false,"creationDate":"2023-09-25","publicationDate":"2023-09-28","fileAccessRequest":false}},{"label":"prd2.del_str085_v.mdp","restricted":false,"directoryLabel":"METHODS/Simulation/SF6/398K_128bar","version":1,"datasetVersionId":2233,"dataFile":{"id":12572,"persistentId":"hdl:21.15109/CONCORDA/ZDGWFL/YNTKKW","pidURL":"https://hdl.handle.net/21.15109/CONCORDA/ZDGWFL/YNTKKW","filename":"prd2.del_str085_v.mdp","contentType":"application/octet-stream","friendlyType":"Unknown","filesize":11934,"storageIdentifier":"s3-sztaki://concorda:18acbf60bb2-25fe97cff991","rootDataFileId":-1,"md5":"6cbc4d72bd86d2e598d3e68b80d22f54","checksum":{"type":"MD5","value":"6cbc4d72bd86d2e598d3e68b80d22f54"},"tabularData":false,"creationDate":"2023-09-25","publicationDate":"2023-09-28","fileAccessRequest":false}},{"label":"prd2.del_str085_v.top","restricted":false,"directoryLabel":"METHODS/Simulation/SF6/398K_128bar","version":1,"datasetVersionId":2233,"dataFile":{"id":12582,"persistentId":"hdl:21.15109/CONCORDA/ZDGWFL/MJO9ZI","pidURL":"https://hdl.handle.net/21.15109/CONCORDA/ZDGWFL/MJO9ZI","filename":"prd2.del_str085_v.top","contentType":"application/octet-stream","friendlyType":"Unknown","filesize":3351,"storageIdentifier":"s3-sztaki://concorda:18acbf5fd72-befe85ee5c1a","rootDataFileId":-1,"md5":"8c1061777ba888742ddd431a529ebff8","checksum":{"type":"MD5","value":"8c1061777ba888742ddd431a529ebff8"},"tabularData":false,"creationDate":"2023-09-25","publicationDate":"2023-09-28","fileAccessRequest":false}},{"label":"prd2.del_str085_v.xtc","restricted":false,"directoryLabel":"METHODS/Simulation/SF6/398K_128bar","version":1,"datasetVersionId":2233,"dataFile":{"id":12513,"persistentId":"hdl:21.15109/CONCORDA/ZDGWFL/MI7RTS","pidURL":"https://hdl.handle.net/21.15109/CONCORDA/ZDGWFL/MI7RTS","filename":"prd2.del_str085_v.xtc","contentType":"application/octet-stream","friendlyType":"Unknown","filesize":134459384,"storageIdentifier":"s3-sztaki://concorda:18acbf608d2-ad22547d1cbe","rootDataFileId":-1,"md5":"b16e07ad68511a3e6e90a1b3c2705d7c","checksum":{"type":"MD5","value":"b16e07ad68511a3e6e90a1b3c2705d7c"},"tabularData":false,"creationDate":"2023-09-25","publicationDate":"2023-09-28","fileAccessRequest":false}},{"label":"prd2.del_str100_v.gro","restricted":false,"directoryLabel":"METHODS/Simulation/SF6/398K_155bar","version":1,"datasetVersionId":2233,"dataFile":{"id":12599,"persistentId":"hdl:21.15109/CONCORDA/ZDGWFL/WOLASV","pidURL":"https://hdl.handle.net/21.15109/CONCORDA/ZDGWFL/WOLASV","filename":"prd2.del_str100_v.gro","contentType":"application/octet-stream","friendlyType":"Unknown","filesize":2415057,"storageIdentifier":"s3-sztaki://concorda:18acbf643c4-a310acb3fc16","rootDataFileId":-1,"md5":"f6ae3021a1d9906020764f8468767515","checksum":{"type":"MD5","value":"f6ae3021a1d9906020764f8468767515"},"tabularData":false,"creationDate":"2023-09-25","publicationDate":"2023-09-28","fileAccessRequest":false}},{"label":"prd2.del_str100_v.mdp","restricted":false,"directoryLabel":"METHODS/Simulation/SF6/398K_155bar","version":1,"datasetVersionId":2233,"dataFile":{"id":12576,"persistentId":"hdl:21.15109/CONCORDA/ZDGWFL/TMXVMA","pidURL":"https://hdl.handle.net/21.15109/CONCORDA/ZDGWFL/TMXVMA","filename":"prd2.del_str100_v.mdp","contentType":"application/octet-stream","friendlyType":"Unknown","filesize":11934,"storageIdentifier":"s3-sztaki://concorda:18acbf6367d-97513354ef7f","rootDataFileId":-1,"md5":"94019a31e8a7a341ce1d32fd429de836","checksum":{"type":"MD5","value":"94019a31e8a7a341ce1d32fd429de836"},"tabularData":false,"creationDate":"2023-09-25","publicationDate":"2023-09-28","fileAccessRequest":false}},{"label":"prd2.del_str100_v.top","restricted":false,"directoryLabel":"METHODS/Simulation/SF6/398K_155bar","version":1,"datasetVersionId":2233,"dataFile":{"id":12542,"persistentId":"hdl:21.15109/CONCORDA/ZDGWFL/P29DFU","pidURL":"https://hdl.handle.net/21.15109/CONCORDA/ZDGWFL/P29DFU","filename":"prd2.del_str100_v.top","contentType":"application/octet-stream","friendlyType":"Unknown","filesize":3351,"storageIdentifier":"s3-sztaki://concorda:18acbf643ac-7b29ba6a3ded","rootDataFileId":-1,"md5":"8c1061777ba888742ddd431a529ebff8","checksum":{"type":"MD5","value":"8c1061777ba888742ddd431a529ebff8"},"tabularData":false,"creationDate":"2023-09-25","publicationDate":"2023-09-28","fileAccessRequest":false}},{"label":"prd2.del_str100_v.xtc","restricted":false,"directoryLabel":"METHODS/Simulation/SF6/398K_155bar","version":1,"datasetVersionId":2233,"dataFile":{"id":12575,"persistentId":"hdl:21.15109/CONCORDA/ZDGWFL/SICXVD","pidURL":"https://hdl.handle.net/21.15109/CONCORDA/ZDGWFL/SICXVD","filename":"prd2.del_str100_v.xtc","contentType":"application/octet-stream","friendlyType":"Unknown","filesize":134616016,"storageIdentifier":"s3-sztaki://concorda:18acbf641b4-fa408de59231","rootDataFileId":-1,"md5":"1c3b34e3cf647c5445fc9028f77c61cc","checksum":{"type":"MD5","value":"1c3b34e3cf647c5445fc9028f77c61cc"},"tabularData":false,"creationDate":"2023-09-25","publicationDate":"2023-09-28","fileAccessRequest":false}},{"label":"prd2.del_str140_v.gro","restricted":false,"directoryLabel":"METHODS/Simulation/SF6/398K_394bar","version":1,"datasetVersionId":2233,"dataFile":{"id":12570,"persistentId":"hdl:21.15109/CONCORDA/ZDGWFL/CTCV9D","pidURL":"https://hdl.handle.net/21.15109/CONCORDA/ZDGWFL/CTCV9D","filename":"prd2.del_str140_v.gro","contentType":"application/octet-stream","friendlyType":"Unknown","filesize":2415057,"storageIdentifier":"s3-sztaki://concorda:18acbf61ff6-56b9816f591b","rootDataFileId":-1,"md5":"0b092a83ae013fc8d19bc94e8c6c0972","checksum":{"type":"MD5","value":"0b092a83ae013fc8d19bc94e8c6c0972"},"tabularData":false,"creationDate":"2023-09-25","publicationDate":"2023-09-28","fileAccessRequest":false}},{"label":"prd2.del_str140_v.mdp","restricted":false,"directoryLabel":"METHODS/Simulation/SF6/398K_394bar","version":1,"datasetVersionId":2233,"dataFile":{"id":12588,"persistentId":"hdl:21.15109/CONCORDA/ZDGWFL/R955MX","pidURL":"https://hdl.handle.net/21.15109/CONCORDA/ZDGWFL/R955MX","filename":"prd2.del_str140_v.mdp","contentType":"application/octet-stream","friendlyType":"Unknown","filesize":11934,"storageIdentifier":"s3-sztaki://concorda:18acbf61fde-de408c4d06ab","rootDataFileId":-1,"md5":"199b6196317519e03602036114b375d6","checksum":{"type":"MD5","value":"199b6196317519e03602036114b375d6"},"tabularData":false,"creationDate":"2023-09-25","publicationDate":"2023-09-28","fileAccessRequest":false}},{"label":"prd2.del_str140_v.top","restricted":false,"directoryLabel":"METHODS/Simulation/SF6/398K_394bar","version":1,"datasetVersionId":2233,"dataFile":{"id":12574,"persistentId":"hdl:21.15109/CONCORDA/ZDGWFL/OPAMGW","pidURL":"https://hdl.handle.net/21.15109/CONCORDA/ZDGWFL/OPAMGW","filename":"prd2.del_str140_v.top","contentType":"application/octet-stream","friendlyType":"Unknown","filesize":3351,"storageIdentifier":"s3-sztaki://concorda:18acbf61fd4-adf998089ca1","rootDataFileId":-1,"md5":"8c1061777ba888742ddd431a529ebff8","checksum":{"type":"MD5","value":"8c1061777ba888742ddd431a529ebff8"},"tabularData":false,"creationDate":"2023-09-25","publicationDate":"2023-09-28","fileAccessRequest":false}},{"label":"prd2.del_str140_v.xtc","restricted":false,"directoryLabel":"METHODS/Simulation/SF6/398K_394bar","version":1,"datasetVersionId":2233,"dataFile":{"id":12597,"persistentId":"hdl:21.15109/CONCORDA/ZDGWFL/5WHTVH","pidURL":"https://hdl.handle.net/21.15109/CONCORDA/ZDGWFL/5WHTVH","filename":"prd2.del_str140_v.xtc","contentType":"application/octet-stream","friendlyType":"Unknown","filesize":134124824,"storageIdentifier":"s3-sztaki://concorda:18acbf62492-17a8b42c63d2","rootDataFileId":-1,"md5":"2bdb7e39124486aa287283ffa5f7bbed","checksum":{"type":"MD5","value":"2bdb7e39124486aa287283ffa5f7bbed"},"tabularData":false,"creationDate":"2023-09-25","publicationDate":"2023-09-28","fileAccessRequest":false}},{"label":"prd2.del_str185_v.gro","restricted":false,"directoryLabel":"METHODS/Simulation/SF6/398K_1827bar","version":1,"datasetVersionId":2233,"dataFile":{"id":12520,"persistentId":"hdl:21.15109/CONCORDA/ZDGWFL/MVAPX7","pidURL":"https://hdl.handle.net/21.15109/CONCORDA/ZDGWFL/MVAPX7","filename":"prd2.del_str185_v.gro","contentType":"application/octet-stream","friendlyType":"Unknown","filesize":2415057,"storageIdentifier":"s3-sztaki://concorda:18acbf5fd40-d5054cffd2b8","rootDataFileId":-1,"md5":"5525a6a33e46c2945485581c1838414d","checksum":{"type":"MD5","value":"5525a6a33e46c2945485581c1838414d"},"tabularData":false,"creationDate":"2023-09-25","publicationDate":"2023-09-28","fileAccessRequest":false}},{"label":"prd2.del_str185_v.mdp","restricted":false,"directoryLabel":"METHODS/Simulation/SF6/398K_1827bar","version":1,"datasetVersionId":2233,"dataFile":{"id":12562,"persistentId":"hdl:21.15109/CONCORDA/ZDGWFL/FBHSOM","pidURL":"https://hdl.handle.net/21.15109/CONCORDA/ZDGWFL/FBHSOM","filename":"prd2.del_str185_v.mdp","contentType":"application/octet-stream","friendlyType":"Unknown","filesize":11934,"storageIdentifier":"s3-sztaki://concorda:18acbf5fd51-a1970957659b","rootDataFileId":-1,"md5":"5e435bc6f15f156879b4f3edc5d16fbe","checksum":{"type":"MD5","value":"5e435bc6f15f156879b4f3edc5d16fbe"},"tabularData":false,"creationDate":"2023-09-25","publicationDate":"2023-09-28","fileAccessRequest":false}},{"label":"prd2.del_str185_v.top","restricted":false,"directoryLabel":"METHODS/Simulation/SF6/398K_1827bar","version":1,"datasetVersionId":2233,"dataFile":{"id":12516,"persistentId":"hdl:21.15109/CONCORDA/ZDGWFL/VYOK7T","pidURL":"https://hdl.handle.net/21.15109/CONCORDA/ZDGWFL/VYOK7T","filename":"prd2.del_str185_v.top","contentType":"application/octet-stream","friendlyType":"Unknown","filesize":3351,"storageIdentifier":"s3-sztaki://concorda:18acbf5fd0c-784aeb136ed4","rootDataFileId":-1,"md5":"8c1061777ba888742ddd431a529ebff8","checksum":{"type":"MD5","value":"8c1061777ba888742ddd431a529ebff8"},"tabularData":false,"creationDate":"2023-09-25","publicationDate":"2023-09-28","fileAccessRequest":false}},{"label":"prd2.del_str185_v.xtc","restricted":false,"directoryLabel":"METHODS/Simulation/SF6/398K_1827bar","version":1,"datasetVersionId":2233,"dataFile":{"id":12522,"persistentId":"hdl:21.15109/CONCORDA/ZDGWFL/DB5KTE","pidURL":"https://hdl.handle.net/21.15109/CONCORDA/ZDGWFL/DB5KTE","filename":"prd2.del_str185_v.xtc","contentType":"application/octet-stream","friendlyType":"Unknown","filesize":134403044,"storageIdentifier":"s3-sztaki://concorda:18acbf5f476-38712c8cafe3","rootDataFileId":-1,"md5":"9ddd7557354150fb3f4a5db08206f500","checksum":{"type":"MD5","value":"9ddd7557354150fb3f4a5db08206f500"},"tabularData":false,"creationDate":"2023-09-25","publicationDate":"2023-09-28","fileAccessRequest":false}},{"label":"rey.txt","restricted":false,"directoryLabel":"FIGURES_3_4_5/Simulation/Software_inpts","version":1,"datasetVersionId":2233,"dataFile":{"id":12569,"persistentId":"hdl:21.15109/CONCORDA/ZDGWFL/Q50THW","pidURL":"https://hdl.handle.net/21.15109/CONCORDA/ZDGWFL/Q50THW","filename":"rey.txt","contentType":"text/plain","friendlyType":"Plain Text","filesize":63,"storageIdentifier":"s3-sztaki://concorda:18acbf5efdf-92b0541f0b2f","rootDataFileId":-1,"md5":"38982b0489dc6fa9ce8f871b86bf9e1a","checksum":{"type":"MD5","value":"38982b0489dc6fa9ce8f871b86bf9e1a"},"tabularData":false,"creationDate":"2023-09-25","publicationDate":"2023-09-28","fileAccessRequest":false}},{"label":"table_1_data.tab","restricted":false,"directoryLabel":"TABLE_1","version":3,"datasetVersionId":2233,"dataFile":{"id":12504,"persistentId":"hdl:21.15109/CONCORDA/ZDGWFL/USHRGI","pidURL":"https://hdl.handle.net/21.15109/CONCORDA/ZDGWFL/USHRGI","filename":"table_1_data.tab","contentType":"text/tab-separated-values","friendlyType":"Tab-Delimited","filesize":309,"storageIdentifier":"s3-sztaki://concorda:18acbf5ee9f-4502fa7e0ea8","originalFileFormat":"text/csv","originalFormatLabel":"Comma Separated Values","originalFileSize":378,"originalFileName":"table_1_data.csv","UNF":"UNF:6:6YcqNnOvuaKFoQxhY2gCQg==","rootDataFileId":-1,"md5":"dd3bad54bf55cf17512e2307486e8407","checksum":{"type":"MD5","value":"dd3bad54bf55cf17512e2307486e8407"},"tabularData":true,"creationDate":"2023-09-25","publicationDate":"2023-09-28","fileAccessRequest":false}},{"label":"table_1_data.xlsx","restricted":false,"directoryLabel":"TABLE_1","version":1,"datasetVersionId":2233,"dataFile":{"id":12573,"persistentId":"hdl:21.15109/CONCORDA/ZDGWFL/1D8FIV","pidURL":"https://hdl.handle.net/21.15109/CONCORDA/ZDGWFL/1D8FIV","filename":"table_1_data.xlsx","contentType":"application/vnd.openxmlformats-officedocument.spreadsheetml.sheet","friendlyType":"MS Excel Spreadsheet","filesize":5397,"storageIdentifier":"s3-sztaki://concorda:18acbf5eeb2-49d6383cad1d","rootDataFileId":-1,"md5":"18ab6fe3e3a98904920f75dad91affa4","checksum":{"type":"MD5","value":"18ab6fe3e3a98904920f75dad91affa4"},"tabularData":false,"creationDate":"2023-09-25","publicationDate":"2023-09-28","fileAccessRequest":false}},{"label":"table_2_data.csv","restricted":false,"directoryLabel":"TABLE_2","version":1,"datasetVersionId":2233,"dataFile":{"id":12545,"persistentId":"hdl:21.15109/CONCORDA/ZDGWFL/PKJ4O1","pidURL":"https://hdl.handle.net/21.15109/CONCORDA/ZDGWFL/PKJ4O1","filename":"table_2_data.csv","contentType":"text/csv","friendlyType":"Comma Separated Values","filesize":436,"storageIdentifier":"s3-sztaki://concorda:18acbf5eecb-443f44902c4e","rootDataFileId":-1,"md5":"43e0068e55a3ff89cef876028f3cb1f1","checksum":{"type":"MD5","value":"43e0068e55a3ff89cef876028f3cb1f1"},"tabularData":false,"creationDate":"2023-09-25","publicationDate":"2023-09-28","fileAccessRequest":false}},{"label":"table_2_data.xlsx","restricted":false,"directoryLabel":"TABLE_2","version":1,"datasetVersionId":2233,"dataFile":{"id":12584,"persistentId":"hdl:21.15109/CONCORDA/ZDGWFL/MEG8Y5","pidURL":"https://hdl.handle.net/21.15109/CONCORDA/ZDGWFL/MEG8Y5","filename":"table_2_data.xlsx","contentType":"application/vnd.openxmlformats-officedocument.spreadsheetml.sheet","friendlyType":"MS Excel Spreadsheet","filesize":5384,"storageIdentifier":"s3-sztaki://concorda:18acbf5eebf-ed871987cac2","rootDataFileId":-1,"md5":"9f19939a338a9dc6243d565318039fdd","checksum":{"type":"MD5","value":"9f19939a338a9dc6243d565318039fdd"},"tabularData":false,"creationDate":"2023-09-25","publicationDate":"2023-09-28","fileAccessRequest":false}},{"label":"utilities.h","restricted":false,"directoryLabel":"FIGURES_3_4_5/Simulation/Software","version":1,"datasetVersionId":2233,"dataFile":{"id":12536,"persistentId":"hdl:21.15109/CONCORDA/ZDGWFL/UMOF76","pidURL":"https://hdl.handle.net/21.15109/CONCORDA/ZDGWFL/UMOF76","filename":"utilities.h","contentType":"text/x-c","friendlyType":"C++ Source","filesize":6984,"storageIdentifier":"s3-sztaki://concorda:18acbf5efd3-079161f06ff1","rootDataFileId":-1,"md5":"dc4537cf080b2543f0869d157f8e4757","checksum":{"type":"MD5","value":"dc4537cf080b2543f0869d157f8e4757"},"tabularData":false,"creationDate":"2023-09-25","publicationDate":"2023-09-28","fileAccessRequest":false}}],"citation":"Temleitner, Laszlo, 2023, \"A generalized scheme for characterizing orientational correlations in condensed phases of high symmetry molecules: SF6 and C60\", https://hdl.handle.net/21.15109/CONCORDA/ZDGWFL, ARP, V1, UNF:6:UTjajACSGnPBG+WxrKsGEA== [fileUNF]"}}