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lines changed Original file line number Diff line number Diff line change @@ -135,7 +135,9 @@ class CalculationOutput(BaseModel):
135135 description = "Forces acting on each atom for each structure in the output file" ,
136136 )
137137 stress : Matrix3D = Field (None , description = "The stress on the cell" )
138- stresses : List [Matrix3D ] = Field (None , description = "The atomic virial stresses" )
138+ stresses : Union [List [Matrix3D ], None ] = Field (
139+ None , description = "The atomic virial stresses"
140+ )
139141
140142 is_metal : bool = Field (None , description = "Whether the system is metallic" )
141143 bandgap : float = Field (None , description = "The band gap from the calculation in eV" )
@@ -190,6 +192,7 @@ def from_aims_output(
190192
191193 stresses = None
192194 if output .stresses is not None :
195+ print ("\n \n " , output .stresses , "\n \n " )
193196 stresses = [
194197 voigt_6_to_full_3x3_stress (st ).tolist () for st in output .stresses
195198 ]
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