{% extends "core/site-base.html" %} {% block tabtitle %} Simmate {% endblock %} {% block banner %} {% include "core/header.html"%} {% endblock %} {% block body %}
{% if calculations %} {% load chemical_formula_filter %} {% for calculation in calculations %} {% endfor %}
Prefect ID Simmate ID Final Energy (eV/atom) Reduced Formula Number of Sites Spacegroup Density (g/mL) Molar Volume (mL/mol)
{{ calculation.prefect_flow_run_name }} mitrelax-{{ calculation.id }} {{ calculation.structure_final.energy_per_atom | floatformat:3 }} {{ calculation.structure_start.formula_reduced | chemical_formula }} {{ calculation.structure_start.nsites }} {{ calculation.structure_start.spacegroup.number }} {{ calculation.structure_start.density | floatformat:3 }} {{ calculation.structure_start.molar_volume | floatformat:3 }}
{% else %} {% endif %}
{% endblock %} {% block extrafooter %} {% include "core/datatable.html" %} {% endblock %}