handlebars template # syntax ref: https://handlebarsjs.com/
1.0
{{#each molecule.unit_cell.va as |v| ~}} {{format v}} {{/each}}
{{#each molecule.unit_cell.vb as |v| ~}} {{format v}} {{/each}}
{{#each molecule.unit_cell.vc as |v| ~}} {{format v}} {{/each}}
{{#each molecule.species as |e| ~}} {{e.element_symbol}} {{/each}}
{{#each molecule.species as |e| ~}} {{e.number_of_atoms}} {{/each}}
Selective dynamics
Direct
{{#each molecule.atoms as |a| ~}}
{{format a.fx}} {{format a.fy}} {{format a.fz}} {{#if (gt @index 2)}} F F F {{else}} T T T {{/if ~}} # {{a.symbol}} {{a.index}}
{{/each~}}