diff --git a/.ci_support/environment-pyiron-atomistics-0-6-12.yml b/.ci_support/environment-pyiron-atomistics-0-6-20.yml
similarity index 82%
rename from .ci_support/environment-pyiron-atomistics-0-6-12.yml
rename to .ci_support/environment-pyiron-atomistics-0-6-20.yml
index a146cd3..efe6cb9 100644
--- a/.ci_support/environment-pyiron-atomistics-0-6-12.yml
+++ b/.ci_support/environment-pyiron-atomistics-0-6-20.yml
@@ -4,6 +4,6 @@ dependencies:
 - jupyter
 - papermill
 - pyiron-data =0.0.30
-- pyiron_atomistics =0.6.12
+- pyiron_atomistics =0.6.20
 - lammps =2024.02.07=*_openmpi_*
 - sphinxdft =3.1
diff --git a/.ci_support/environment-pyiron-atomistics-0-6-13.yml b/.ci_support/environment-pyiron-atomistics-0-6-21.yml
similarity index 82%
rename from .ci_support/environment-pyiron-atomistics-0-6-13.yml
rename to .ci_support/environment-pyiron-atomistics-0-6-21.yml
index 06fa42c..d1da14d 100644
--- a/.ci_support/environment-pyiron-atomistics-0-6-13.yml
+++ b/.ci_support/environment-pyiron-atomistics-0-6-21.yml
@@ -4,6 +4,6 @@ dependencies:
 - jupyter
 - papermill
 - pyiron-data =0.0.30
-- pyiron_atomistics =0.6.13
+- pyiron_atomistics =0.6.21
 - lammps =2024.02.07=*_openmpi_*
 - sphinxdft =3.1
diff --git a/.github/workflows/pyiron_atomistics_tests_0_6_12.yml b/.github/workflows/pyiron_atomistics_tests_0_6_20.yml
similarity index 92%
rename from .github/workflows/pyiron_atomistics_tests_0_6_12.yml
rename to .github/workflows/pyiron_atomistics_tests_0_6_20.yml
index 382f25e..86967ef 100644
--- a/.github/workflows/pyiron_atomistics_tests_0_6_12.yml
+++ b/.github/workflows/pyiron_atomistics_tests_0_6_20.yml
@@ -1,4 +1,4 @@
-name: Tests for pyiron_atomistics 0.6.12
+name: Tests for pyiron_atomistics 0.6.20
 
 on:
   push:
@@ -19,7 +19,7 @@ jobs:
         python-version: "3.12"
         miniforge-version: latest
         condarc-file: .condarc
-        environment-file: .ci_support/environment-pyiron-atomistics-0-6-12.yml
+        environment-file: .ci_support/environment-pyiron-atomistics-0-6-20.yml
     - name: Test
       shell: bash -l {0}
       timeout-minutes: 5
diff --git a/.github/workflows/pyiron_atomistics_tests_0_6_13.yml b/.github/workflows/pyiron_atomistics_tests_0_6_21.yml
similarity index 92%
rename from .github/workflows/pyiron_atomistics_tests_0_6_13.yml
rename to .github/workflows/pyiron_atomistics_tests_0_6_21.yml
index cebb678..23d0713 100644
--- a/.github/workflows/pyiron_atomistics_tests_0_6_13.yml
+++ b/.github/workflows/pyiron_atomistics_tests_0_6_21.yml
@@ -1,4 +1,4 @@
-name: Tests for pyiron_atomistics 0.6.13
+name: Tests for pyiron_atomistics 0.6.21
 
 on:
   push:
@@ -19,7 +19,7 @@ jobs:
         python-version: "3.12"
         miniforge-version: latest
         condarc-file: .condarc
-        environment-file: .ci_support/environment-pyiron-atomistics-0-6-13.yml
+        environment-file: .ci_support/environment-pyiron-atomistics-0-6-21.yml
     - name: Test
       shell: bash -l {0}
       timeout-minutes: 5
diff --git a/tests/test_pyiron_atomistics_live.py b/tests/test_pyiron_atomistics_live.py
index 64b3f19..90773e4 100644
--- a/tests/test_pyiron_atomistics_live.py
+++ b/tests/test_pyiron_atomistics_live.py
@@ -47,7 +47,7 @@ def test_sphinx_calc_minimize(self):
         job_sphinx = get_dataclass(job_dict[job.job_name])
         self.assertEqual(
             job_sphinx.calculation_output.generic.energy_tot[-1],
-            -228.7831594386992 * ureg.eV,
+            -228.7831594382322 * ureg.eV,
         )
 
     def test_sphinx_calc_static(self):
@@ -64,7 +64,7 @@ def test_sphinx_calc_static(self):
         job_sphinx = get_dataclass(job_dict[job.job_name])
         self.assertEqual(
             job_sphinx.calculation_output.generic.energy_tot[-1],
-            -228.78315945023684 * ureg.eV,
+            -228.78316013563278 * ureg.eV,
         )
 
     def test_lammps_calc_static(self):