{"id":39257446,"url":"https://github.com/ccdc-opensource/science-paper-mechanical-properties-2018","last_synced_at":"2026-01-18T00:18:50.009Z","repository":{"id":49191280,"uuid":"377118494","full_name":"ccdc-opensource/science-paper-mechanical-properties-2018","owner":"ccdc-opensource","description":"Supporting code for https://doi.org/10.1039/C8CE00454D","archived":false,"fork":false,"pushed_at":"2025-12-16T22:53:54.000Z","size":51,"stargazers_count":0,"open_issues_count":0,"forks_count":0,"subscribers_count":1,"default_branch":"main","last_synced_at":"2025-12-20T13:21:12.888Z","etag":null,"topics":[],"latest_commit_sha":null,"homepage":null,"language":"Python","has_issues":true,"has_wiki":null,"has_pages":null,"mirror_url":null,"source_name":null,"license":null,"status":null,"scm":"git","pull_requests_enabled":true,"icon_url":"https://github.com/ccdc-opensource.png","metadata":{"files":{"readme":"README.md","changelog":null,"contributing":null,"funding":null,"license":null,"code_of_conduct":null,"threat_model":null,"audit":null,"citation":null,"codeowners":null,"security":null,"support":null,"governance":null,"roadmap":null,"authors":null,"dei":null,"publiccode":null,"codemeta":null,"zenodo":null,"notice":null,"maintainers":null,"copyright":null,"agents":null,"dco":null,"cla":null}},"created_at":"2021-06-15T10:08:47.000Z","updated_at":"2025-12-16T22:53:26.000Z","dependencies_parsed_at":"2024-12-18T10:33:42.757Z","dependency_job_id":"713437a1-ab3d-453c-90fc-6a437ee72039","html_url":"https://github.com/ccdc-opensource/science-paper-mechanical-properties-2018","commit_stats":null,"previous_names":[],"tags_count":0,"template":false,"template_full_name":null,"purl":"pkg:github/ccdc-opensource/science-paper-mechanical-properties-2018","repository_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/ccdc-opensource%2Fscience-paper-mechanical-properties-2018","tags_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/ccdc-opensource%2Fscience-paper-mechanical-properties-2018/tags","releases_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/ccdc-opensource%2Fscience-paper-mechanical-properties-2018/releases","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/ccdc-opensource%2Fscience-paper-mechanical-properties-2018/manifests","owner_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners/ccdc-opensource","download_url":"https://codeload.github.com/ccdc-opensource/science-paper-mechanical-properties-2018/tar.gz/refs/heads/main","sbom_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/ccdc-opensource%2Fscience-paper-mechanical-properties-2018/sbom","scorecard":null,"host":{"name":"GitHub","url":"https://github.com","kind":"github","repositories_count":286080680,"owners_count":28523670,"icon_url":"https://github.com/github.png","version":null,"created_at":"2022-05-30T11:31:42.601Z","updated_at":"2026-01-17T23:53:28.710Z","status":"ssl_error","status_checked_at":"2026-01-17T23:52:20.131Z","response_time":85,"last_error":"SSL_read: unexpected eof while reading","robots_txt_status":"success","robots_txt_updated_at":"2025-07-24T06:49:26.215Z","robots_txt_url":"https://github.com/robots.txt","online":false,"can_crawl_api":true,"host_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub","repositories_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories","repository_names_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repository_names","owners_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners"}},"keywords":[],"created_at":"2026-01-18T00:18:49.231Z","updated_at":"2026-01-18T00:18:49.995Z","avatar_url":"https://github.com/ccdc-opensource.png","language":"Python","funding_links":[],"categories":[],"sub_categories":[],"readme":"# Mechanical Properties Script\n\n\nSupporting code for https://doi.org/10.1039/C8CE00454D\n\n---\n\n# Using Script\n\nThe `mechanical_properties.py` script can be used through the command line.\n\nFirst we activate the miniconda that contains the `csd-python-api`.\n\n```commandline\n\"C:\\Program Files\\CCDC\\Python_API_2021\\miniconda\\condabin\\activate.bat\"\n```\n\nThe script can then be run for a given refcode from the CSD or a `.cif` file.\n\n```commandline\npython mechanical_properties.py REF_CODE|file_name.cif\n```\n\nOutput will then be printed to the console.\n\nBy default the tool will scan for \"flat\" planes between miller planes [-2 -2 -2] and [2 2 2]. If none are found, it will\nextend the search from [-4 -4 -4] to [4 4 4]. This range can be explicitly set, or the additional scan on failure\nsuppressed.\n\n```commandline\npython mechanical_properties.py REF_CODE --p low \npython mechanical_properties.py REF_CODE --p high \npython mechanical_properties.py REF_CODE --s true \n```\n\n# Dependencies:\n\n\n- [CSD-Python-API](https://www.ccdc.cam.ac.uk/solutions/csd-core/components/csd-python-api/)\n","project_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fccdc-opensource%2Fscience-paper-mechanical-properties-2018","html_url":"https://awesome.ecosyste.ms/projects/github.com%2Fccdc-opensource%2Fscience-paper-mechanical-properties-2018","lists_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fccdc-opensource%2Fscience-paper-mechanical-properties-2018/lists"}