1.0.0 release candidate 3

Release Candidate 3 for 1.0.0 – this release will contain the same data as 1.0.0 and is simply used for testing the deployment workflow.

What's Changed

• Lammps by @jaclark5 in #96
• prepare for 1.0.0 release by @orbeckst in #97
• refactored deployment workflow by @orbeckst in #101
• Update link to NIST data by @jaclark5 in #104

New Contributors

• @jaclark5 made their first contribution in #96

Full Changelog: 0.10.0...1.0.0rc3