diff --git a/.ci_support/environment-pyiron-atomistics-0-6-21.yml b/.ci_support/environment-pyiron-atomistics-0-6-21.yml
new file mode 100644
index 0000000..d1da14d
--- /dev/null
+++ b/.ci_support/environment-pyiron-atomistics-0-6-21.yml
@@ -0,0 +1,9 @@
+channels:
+- conda-forge
+dependencies:
+- jupyter
+- papermill
+- pyiron-data =0.0.30
+- pyiron_atomistics =0.6.21
+- lammps =2024.02.07=*_openmpi_*
+- sphinxdft =3.1