{"entities":{"Q311631":{"pageid":313398,"ns":120,"title":"Item:Q311631","lastrevid":61003161,"modified":"2026-04-10T20:32:25Z","type":"item","id":"Q311631","labels":{"en":{"language":"en","value":"Introducing PROFESS 3.0: an advanced program for orbital-free density functional theory molecular dynamics simulations"}},"descriptions":{"en":{"language":"en","value":"scientific article; zbMATH DE number 6626828"}},"aliases":{},"claims":{"P31":[{"mainsnak":{"snaktype":"value","property":"P31","hash":"fd5912e4dab4b881a8eb0eb27e7893fef55176ad","datavalue":{"value":{"entity-type":"item","numeric-id":56887,"id":"Q56887"},"type":"wikibase-entityid"},"datatype":"wikibase-item"},"type":"statement","id":"Q311631$5C1EB3DF-605A-49E0-936D-D2BBA9ED3CD0","rank":"normal"}],"P159":[{"mainsnak":{"snaktype":"value","property":"P159","hash":"abd35a31672aaf31906a49864cbfdb7086d0a8be","datavalue":{"value":{"text":"Introducing PROFESS 3.0: an advanced program for orbital-free density functional theory molecular dynamics simulations","language":"en"},"type":"monolingualtext"},"datatype":"monolingualtext"},"type":"statement","id":"Q311631$DB62B40B-F9F9-4E13-BF3C-4B7EADDAD319","rank":"normal"}],"P225":[{"mainsnak":{"snaktype":"value","property":"P225","hash":"99a4c2e9d51c62ac611b9baa10225620b4735e45","datavalue":{"value":"1344.81010","type":"string"},"datatype":"external-id"},"type":"statement","id":"Q311631$C479D14B-9B72-456A-8080-90AA3D404E82","rank":"normal"}],"P16":[{"mainsnak":{"snaktype":"value","property":"P16","hash":"ee3291dd34ae9d62cd46ca719b8976c7beb08e3d","datavalue":{"value":{"entity-type":"item","numeric-id":311624,"id":"Q311624"},"type":"wikibase-entityid"},"datatype":"wikibase-item"},"type":"statement","id":"Q311631$5FC0B4A3-86AF-45C2-A3E9-A42FE55969EF","rank":"normal"},{"mainsnak":{"snaktype":"value","property":"P16","hash":"e3a53e493fad1f3f96894a8048d06b154919c815","datavalue":{"value":{"entity-type":"item","numeric-id":311625,"id":"Q311625"},"type":"wikibase-entityid"},"datatype":"wikibase-item"},"type":"statement","id":"Q311631$337DA403-7D92-4001-BDEF-6E657E96C28A","rank":"normal"},{"mainsnak":{"snaktype":"value","property":"P16","hash":"4058e9a94f385a63cb92239c8a7c89beadcf11d4","datavalue":{"value":{"entity-type":"item","numeric-id":311626,"id":"Q311626"},"type":"wikibase-entityid"},"datatype":"wikibase-item"},"type":"statement","id":"Q311631$7E2705D8-A9D0-46E1-AD95-EA30D88435F8","rank":"normal"},{"mainsnak":{"snaktype":"value","property":"P16","hash":"4c941f8322d448a7ad02765dd922bf4ef384f91f","datavalue":{"value":{"entity-type":"item","numeric-id":311627,"id":"Q311627"},"type":"wikibase-entityid"},"datatype":"wikibase-item"},"type":"statement","id":"Q311631$67EFB6CC-1E43-4601-ABC7-6B82434CB484","rank":"normal"},{"mainsnak":{"snaktype":"value","property":"P16","hash":"cfc0908b0535893fff8c7ec463e4a2cc6be07a04","datavalue":{"value":{"entity-type":"item","numeric-id":311628,"id":"Q311628"},"type":"wikibase-entityid"},"datatype":"wikibase-item"},"type":"statement","id":"Q311631$646C028B-6EEC-4878-8EAC-B5AD1AE27233","rank":"normal"},{"mainsnak":{"snaktype":"value","property":"P16","hash":"497146b9cd26224e8a44b1d4a4cfc0bf37df8ca8","datavalue":{"value":{"entity-type":"item","numeric-id":311629,"id":"Q311629"},"type":"wikibase-entityid"},"datatype":"wikibase-item"},"type":"statement","id":"Q311631$C921F660-E596-43EB-AC83-76CB9AF6C0BC","rank":"normal"},{"mainsnak":{"snaktype":"value","property":"P16","hash":"3093722be0847084bc80f58650a87cd048a7dd65","datavalue":{"value":{"entity-type":"item","numeric-id":311630,"id":"Q311630"},"type":"wikibase-entityid"},"datatype":"wikibase-item"},"type":"statement","id":"Q311631$50B4358F-4DC3-4473-BDCB-CC13A4129022","rank":"normal"}],"P200":[{"mainsnak":{"snaktype":"value","property":"P200","hash":"c4b1c2d56ec136498761c8222aa870c2178d3741","datavalue":{"value":{"entity-type":"item","numeric-id":111181,"id":"Q111181"},"type":"wikibase-entityid"},"datatype":"wikibase-item"},"type":"statement","id":"Q311631$03BE7C10-C2BC-483B-98FC-B6F270B101BD","rank":"normal"}],"P28":[{"mainsnak":{"snaktype":"value","property":"P28","hash":"b5855202242268e2d32d9cba2484fa0b5d8a8d40","datavalue":{"value":{"time":"+2016-09-13T00:00:00Z","timezone":0,"before":0,"after":0,"precision":11,"calendarmodel":"http://www.wikidata.org/entity/Q1985727"},"type":"time"},"datatype":"time"},"type":"statement","id":"Q311631$1BFCC850-1AE8-4D14-84B7-CFCC8FAF0BCB","rank":"normal"}],"P226":[{"mainsnak":{"snaktype":"value","property":"P226","hash":"5abf27ac6cfb62aac7b3f3a94a670137e1f9b4ba","datavalue":{"value":"81-04","type":"string"},"datatype":"external-id"},"type":"statement","id":"Q311631$9054C0EA-2F64-4ECC-9257-DAB77840B6E0","rank":"normal"},{"mainsnak":{"snaktype":"value","property":"P226","hash":"172e5bed96dddcde867a3b0f985364db8eee7a57","datavalue":{"value":"81V45","type":"string"},"datatype":"external-id"},"type":"statement","id":"Q311631$EBD616AF-E297-4446-B5ED-5DD33BCBB715","rank":"normal"},{"mainsnak":{"snaktype":"value","property":"P226","hash":"4813816b754d3f100991ebef2943a6e75f1aeb2b","datavalue":{"value":"81V55","type":"string"},"datatype":"external-id"},"type":"statement","id":"Q311631$C17C7AD2-8589-4B26-8357-0B39B55C1C25","rank":"normal"},{"mainsnak":{"snaktype":"value","property":"P226","hash":"4de2df0b69afab23c60d6c04e16795a85069b4f1","datavalue":{"value":"49S05","type":"string"},"datatype":"external-id"},"type":"statement","id":"Q311631$0402F292-189D-4740-87F3-1B304377E1B2","rank":"normal"},{"mainsnak":{"snaktype":"value","property":"P226","hash":"46881019de55c07bc6d27da7414807314227a467","datavalue":{"value":"81T80","type":"string"},"datatype":"external-id"},"type":"statement","id":"Q311631$F510CA3A-9B69-4D02-B8A0-F079B1E034FC","rank":"normal"},{"mainsnak":{"snaktype":"value","property":"P226","hash":"1e88c1793d440db60751d49564ae8f5a6773b5a4","datavalue":{"value":"81-08","type":"string"},"datatype":"external-id"},"type":"statement","id":"Q311631$C3469FB0-6BC9-438B-8EAF-0F739C7FBA01","rank":"normal"}],"P1451":[{"mainsnak":{"snaktype":"value","property":"P1451","hash":"0303803806854eae3c504bb55dd018298b3695b3","datavalue":{"value":"6626828","type":"string"},"datatype":"external-id"},"type":"statement","id":"Q311631$7AAC3EEB-05B1-4C22-A1A1-29B75122C495","rank":"normal"}],"P1450":[{"mainsnak":{"snaktype":"value","property":"P1450","hash":"41cb54f7de9046b951c687ae9040e73f6af98ed4","datavalue":{"value":"orbital-free density functional theory","type":"string"},"datatype":"string"},"type":"statement","id":"Q311631$6E528297-26AE-46DD-8AB2-D2B55055AA3A","rank":"normal"},{"mainsnak":{"snaktype":"value","property":"P1450","hash":"b3f09a6c088c626531c5a85cd9e2d2cc8efe9f6e","datavalue":{"value":"kinetic energy density functional","type":"string"},"datatype":"string"},"type":"statement","id":"Q311631$134AAA46-BA3A-4FB6-9311-795D0B7A164B","rank":"normal"},{"mainsnak":{"snaktype":"value","property":"P1450","hash":"ee0fb6ca3c76dd23980925d2b01cde8720cbff2e","datavalue":{"value":"first-principles methods","type":"string"},"datatype":"string"},"type":"statement","id":"Q311631$A2C609DD-6823-4908-A1B5-C4D4062251CB","rank":"normal"},{"mainsnak":{"snaktype":"value","property":"P1450","hash":"ab91dbc8e3972c4b82000b8af177323fd5c2fd33","datavalue":{"value":"electronic structure","type":"string"},"datatype":"string"},"type":"statement","id":"Q311631$5EC8D9A6-73DC-4C80-80AE-D3BD70D2922E","rank":"normal"},{"mainsnak":{"snaktype":"value","property":"P1450","hash":"3db8496df8e37881e9c61eeaac61d3bc411fdf2e","datavalue":{"value":"molecular dynamics","type":"string"},"datatype":"string"},"type":"statement","id":"Q311631$0FAE93AA-D4C0-4D00-BE20-2DE40CD9C99E","rank":"normal"}],"P12":[{"mainsnak":{"snaktype":"value","property":"P12","hash":"3a99843fb9bfcfffcbd827748c6f53b8d4c316c7","datavalue":{"value":"Q58758123","type":"string"},"datatype":"external-id"},"type":"statement","id":"Q311631$00F8B7D5-F659-49BD-84A4-F3EA58BC5E25","rank":"normal"}],"P1463":[{"mainsnak":{"snaktype":"value","property":"P1463","hash":"11091afd7f5123cde85132799983791aadfd43b8","datavalue":{"value":{"entity-type":"item","numeric-id":16386,"id":"Q16386"},"type":"wikibase-entityid"},"datatype":"wikibase-item"},"type":"statement","id":"Q311631$AB921323-44DE-47FA-B234-C9C9D9AA39B1","rank":"normal"}],"P1460":[{"mainsnak":{"snaktype":"value","property":"P1460","hash":"57f7fea50d2ce1b39b695c4a1313582eed405e38","datavalue":{"value":{"entity-type":"item","numeric-id":5976449,"id":"Q5976449"},"type":"wikibase-entityid"},"datatype":"wikibase-item"},"type":"statement","id":"Q311631$1464F5CC-E9F5-4DA5-826F-D66CFED1024A","rank":"normal"}],"P205":[{"mainsnak":{"snaktype":"value","property":"P205","hash":"1528fcdb8624b00ea6ec22afe34b0d5b320c2087","datavalue":{"value":"https://doi.org/10.1016/j.cpc.2014.12.021","type":"string"},"datatype":"url"},"type":"statement","id":"Q311631$0EB39902-9FEC-4FF7-A5D4-47E973D425BB","rank":"normal"}],"P388":[{"mainsnak":{"snaktype":"value","property":"P388","hash":"a7daa42068d5ebf19fd551e1330ee0d0bba47ca4","datavalue":{"value":"W2043015819","type":"string"},"datatype":"external-id"},"type":"statement","id":"Q311631$28DE2307-5240-4EFE-A3B1-DCF7E97E4248","rank":"normal"}],"P27":[{"mainsnak":{"snaktype":"value","property":"P27","hash":"92fef3be7ef2a644182a0daf226d20841b481a9c","datavalue":{"value":"10.1016/J.CPC.2014.12.021","type":"string"},"datatype":"external-id"},"type":"statement","id":"Q311631$EE10EFC7-E94C-4C6C-B148-87C64AC4F509","rank":"normal"}],"P1643":[{"mainsnak":{"snaktype":"value","property":"P1643","hash":"b0c3a434574d2c52b331dfe8066355bf5f2e88aa","datavalue":{"value":{"entity-type":"item","numeric-id":546816,"id":"Q546816"},"type":"wikibase-entityid"},"datatype":"wikibase-item"},"type":"statement","qualifiers":{"P1659":[{"snaktype":"value","property":"P1659","hash":"c5cbf018e8f6dfcbde3ff29258500ad14318c063","datavalue":{"value":{"amount":"+0.8930351734161377","unit":"1"},"type":"quantity"},"datatype":"quantity"}],"P1660":[{"snaktype":"value","property":"P1660","hash":"a327a09ea0305e98d5cf33bd4036320e19f2aed0","datavalue":{"value":{"entity-type":"item","numeric-id":6821328,"id":"Q6821328"},"type":"wikibase-entityid"},"datatype":"wikibase-item"}]},"qualifiers-order":["P1659","P1660"],"id":"Q311631$9543FF64-10FF-4D81-9D49-CD1EAD0B9509","rank":"normal"},{"mainsnak":{"snaktype":"value","property":"P1643","hash":"1bb58884763426419eb0f6457cf121588ce58e55","datavalue":{"value":{"entity-type":"item","numeric-id":2374017,"id":"Q2374017"},"type":"wikibase-entityid"},"datatype":"wikibase-item"},"type":"statement","qualifiers":{"P1659":[{"snaktype":"value","property":"P1659","hash":"b1d2bbf95390292b36beeba8a6d98f96e51fcf64","datavalue":{"value":{"amount":"+0.7914378643035889","unit":"1"},"type":"quantity"},"datatype":"quantity"}],"P1660":[{"snaktype":"value","property":"P1660","hash":"a327a09ea0305e98d5cf33bd4036320e19f2aed0","datavalue":{"value":{"entity-type":"item","numeric-id":6821328,"id":"Q6821328"},"type":"wikibase-entityid"},"datatype":"wikibase-item"}]},"qualifiers-order":["P1659","P1660"],"id":"Q311631$7256427E-CA0B-47DC-8549-CA6D9CE5EDE1","rank":"normal"},{"mainsnak":{"snaktype":"value","property":"P1643","hash":"b3bb6456cca6c34def56784e7bb10024cadbfd29","datavalue":{"value":{"entity-type":"item","numeric-id":525743,"id":"Q525743"},"type":"wikibase-entityid"},"datatype":"wikibase-item"},"type":"statement","qualifiers":{"P1659":[{"snaktype":"value","property":"P1659","hash":"8abaaafb4a51a11e9bf9ecf3880ca3ca455cfeca","datavalue":{"value":{"amount":"+0.7818027138710022","unit":"1"},"type":"quantity"},"datatype":"quantity"}],"P1660":[{"snaktype":"value","property":"P1660","hash":"a327a09ea0305e98d5cf33bd4036320e19f2aed0","datavalue":{"value":{"entity-type":"item","numeric-id":6821328,"id":"Q6821328"},"type":"wikibase-entityid"},"datatype":"wikibase-item"}]},"qualifiers-order":["P1659","P1660"],"id":"Q311631$75BFF3B6-06B5-4B48-8FFD-F5B84A7E0D93","rank":"normal"},{"mainsnak":{"snaktype":"value","property":"P1643","hash":"56c014beeab00505b663ecdfb3a7d549bfa837ef","datavalue":{"value":{"entity-type":"item","numeric-id":5319016,"id":"Q5319016"},"type":"wikibase-entityid"},"datatype":"wikibase-item"},"type":"statement","qualifiers":{"P1659":[{"snaktype":"value","property":"P1659","hash":"fdc1dd58af4973badc59fe8a803ecf161e7ccdb4","datavalue":{"value":{"amount":"+0.7661254405975342","unit":"1"},"type":"quantity"},"datatype":"quantity"}],"P1660":[{"snaktype":"value","property":"P1660","hash":"a327a09ea0305e98d5cf33bd4036320e19f2aed0","datavalue":{"value":{"entity-type":"item","numeric-id":6821328,"id":"Q6821328"},"type":"wikibase-entityid"},"datatype":"wikibase-item"}]},"qualifiers-order":["P1659","P1660"],"id":"Q311631$118D351F-5ABD-4710-9344-4ACBC119F3D4","rank":"normal"},{"mainsnak":{"snaktype":"value","property":"P1643","hash":"b5b7584b696531e5f449a796fca5e663ca2e223a","datavalue":{"value":{"entity-type":"item","numeric-id":729423,"id":"Q729423"},"type":"wikibase-entityid"},"datatype":"wikibase-item"},"type":"statement","qualifiers":{"P1659":[{"snaktype":"value","property":"P1659","hash":"1b0b1c4ad43f339010189c685eee045e5b81d245","datavalue":{"value":{"amount":"+0.7548390626907349","unit":"1"},"type":"quantity"},"datatype":"quantity"}],"P1660":[{"snaktype":"value","property":"P1660","hash":"a327a09ea0305e98d5cf33bd4036320e19f2aed0","datavalue":{"value":{"entity-type":"item","numeric-id":6821328,"id":"Q6821328"},"type":"wikibase-entityid"},"datatype":"wikibase-item"}]},"qualifiers-order":["P1659","P1660"],"id":"Q311631$E9DC8A00-8A53-4B8F-8D35-0D3FAA54AB78","rank":"normal"}]},"sitelinks":{"mardi":{"site":"mardi","title":"Introducing PROFESS 3.0: an advanced program for orbital-free density functional theory molecular dynamics simulations","badges":[],"url":"https://portal.mardi4nfdi.de/wiki/Introducing_PROFESS_3.0:_an_advanced_program_for_orbital-free_density_functional_theory_molecular_dynamics_simulations"}}}}}