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ensure no duplicate nuclides in materials

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This commit is contained in:
Gavin Ridley 2021-01-07 11:52:16 -05:00
parent 91bc2e5386
commit 67542a3239
2 changed files with 1 additions and 480 deletions
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1
openmc/deplete/results_list.py
View file

@ -365,6 +365,7 @@ class ResultsList(list):
atoms = result[0, mat_id, nuc]
if atoms > 0.0:
atoms_per_barn_cm = 1e-24 * atoms / mat.volume
mat.remove_nuclide(nuc) # Replace if it's there
mat.add_nuclide(nuc, atoms_per_barn_cm)
return mat_file

480
tests/regression_tests/deplete/last_step_reference_materials.xml
View file

@ -2,13 +2,6 @@
<materials>
<material depletable="true" id="1" temperature="293.6" volume="0.06674732823364922">
<density units="sum" />
<nuclide ao="1e-14" name="Xe135" />
<nuclide ao="1e-14" name="Xe136" />
<nuclide ao="1e-14" name="Gd157" />
<nuclide ao="1e-14" name="Gd156" />
<nuclide ao="1.00506e-05" name="U234" />
<nuclide ao="0.0010569199999999998" name="U235" />
<nuclide ao="0.022137099999999996" name="U238" />
<nuclide ao="0.046295399999999994" name="O16" />
<nuclide ao="0.00011276839999999999" name="O17" />
<nuclide ao="4.611985879920533e-07" name="Cs135" />
@ -23,13 +16,6 @@
</material>
<material depletable="true" id="2" temperature="293.6" volume="0.06674732823364922">
<density units="sum" />
<nuclide ao="1e-14" name="Xe135" />
<nuclide ao="1e-14" name="Xe136" />
<nuclide ao="1e-14" name="Gd157" />
<nuclide ao="1e-14" name="Gd156" />
<nuclide ao="1.00506e-05" name="U234" />
<nuclide ao="0.0010569199999999998" name="U235" />
<nuclide ao="0.022137099999999996" name="U238" />
<nuclide ao="0.046295399999999994" name="O16" />
<nuclide ao="0.00011276839999999999" name="O17" />
<nuclide ao="4.565939641481984e-07" name="Cs135" />
@ -44,13 +30,6 @@
</material>
<material depletable="true" id="3" temperature="293.6" volume="0.06674732823364922">
<density units="sum" />
<nuclide ao="1e-14" name="Xe135" />
<nuclide ao="1e-14" name="Xe136" />
<nuclide ao="1e-14" name="Gd157" />
<nuclide ao="1e-14" name="Gd156" />
<nuclide ao="1.00506e-05" name="U234" />
<nuclide ao="0.0010569199999999998" name="U235" />
<nuclide ao="0.022137099999999996" name="U238" />
<nuclide ao="0.046295399999999994" name="O16" />
<nuclide ao="0.00011276839999999999" name="O17" />
<nuclide ao="4.510650897362913e-07" name="Cs135" />
@ -65,13 +44,6 @@
</material>
<material depletable="true" id="4" temperature="293.6" volume="0.06674732823364922">
<density units="sum" />
<nuclide ao="1e-14" name="Xe135" />
<nuclide ao="1e-14" name="Xe136" />
<nuclide ao="1e-14" name="Gd157" />
<nuclide ao="1e-14" name="Gd156" />
<nuclide ao="1.00506e-05" name="U234" />
<nuclide ao="0.0010569199999999998" name="U235" />
<nuclide ao="0.022137099999999996" name="U238" />
<nuclide ao="0.046295399999999994" name="O16" />
<nuclide ao="0.00011276839999999999" name="O17" />
<nuclide ao="4.6530710024597434e-07" name="Cs135" />
@ -86,10 +58,6 @@
</material>
<material depletable="true" id="5" temperature="293.6" volume="0.06674732823364922">
<density units="sum" />
<nuclide ao="0.00010815599999999999" name="Gd157" />
<nuclide ao="3.9551699999999996e-14" name="Gd156" />
<nuclide ao="0.00103579" name="U235" />
<nuclide ao="0.021694299999999996" name="U238" />
<nuclide ao="0.0464035" name="O16" />
<nuclide ao="3.99748337301028e-07" name="Cs135" />
<nuclide ao="3.938875563284977e-09" name="Gd156" />
@ -103,13 +71,6 @@
</material>
<material depletable="true" id="6" temperature="293.6" volume="0.06674732823364922">
<density units="sum" />
<nuclide ao="1e-14" name="Xe135" />
<nuclide ao="1e-14" name="Xe136" />
<nuclide ao="1e-14" name="Gd157" />
<nuclide ao="1e-14" name="Gd156" />
<nuclide ao="1.00506e-05" name="U234" />
<nuclide ao="0.0010569199999999998" name="U235" />
<nuclide ao="0.022137099999999996" name="U238" />
<nuclide ao="0.046295399999999994" name="O16" />
<nuclide ao="0.00011276839999999999" name="O17" />
<nuclide ao="4.807098076521783e-07" name="Cs135" />
@ -124,13 +85,6 @@
</material>
<material depletable="true" id="7" temperature="293.6" volume="0.06674732823364922">
<density units="sum" />
<nuclide ao="1e-14" name="Xe135" />
<nuclide ao="1e-14" name="Xe136" />
<nuclide ao="1e-14" name="Gd157" />
<nuclide ao="1e-14" name="Gd156" />
<nuclide ao="1.00506e-05" name="U234" />
<nuclide ao="0.0010569199999999998" name="U235" />
<nuclide ao="0.022137099999999996" name="U238" />
<nuclide ao="0.046295399999999994" name="O16" />
<nuclide ao="0.00011276839999999999" name="O17" />
<nuclide ao="4.3584819569281354e-07" name="Cs135" />
@ -145,13 +99,6 @@
</material>
<material depletable="true" id="8" temperature="293.6" volume="0.06674732823364922">
<density units="sum" />
<nuclide ao="1e-14" name="Xe135" />
<nuclide ao="1e-14" name="Xe136" />
<nuclide ao="1e-14" name="Gd157" />
<nuclide ao="1e-14" name="Gd156" />
<nuclide ao="1.00506e-05" name="U234" />
<nuclide ao="0.0010569199999999998" name="U235" />
<nuclide ao="0.022137099999999996" name="U238" />
<nuclide ao="0.046295399999999994" name="O16" />
<nuclide ao="0.00011276839999999999" name="O17" />
<nuclide ao="4.2371666592489366e-07" name="Cs135" />
@ -166,13 +113,6 @@
</material>
<material depletable="true" id="9" temperature="293.6" volume="0.06674732823364922">
<density units="sum" />
<nuclide ao="1e-14" name="Xe135" />
<nuclide ao="1e-14" name="Xe136" />
<nuclide ao="1e-14" name="Gd157" />
<nuclide ao="1e-14" name="Gd156" />
<nuclide ao="1.00506e-05" name="U234" />
<nuclide ao="0.0010569199999999998" name="U235" />
<nuclide ao="0.022137099999999996" name="U238" />
<nuclide ao="0.046295399999999994" name="O16" />
<nuclide ao="0.00011276839999999999" name="O17" />
<nuclide ao="4.010187672489071e-07" name="Cs135" />
@ -187,13 +127,6 @@
</material>
<material depletable="true" id="10" temperature="293.6" volume="0.06674732823364922">
<density units="sum" />
<nuclide ao="1e-14" name="Xe135" />
<nuclide ao="1e-14" name="Xe136" />
<nuclide ao="1e-14" name="Gd157" />
<nuclide ao="1e-14" name="Gd156" />
<nuclide ao="1.00506e-05" name="U234" />
<nuclide ao="0.0010569199999999998" name="U235" />
<nuclide ao="0.022137099999999996" name="U238" />
<nuclide ao="0.046295399999999994" name="O16" />
<nuclide ao="0.00011276839999999999" name="O17" />
<nuclide ao="4.383494559877303e-07" name="Cs135" />
@ -208,13 +141,6 @@
</material>
<material depletable="true" id="11" temperature="293.6" volume="0.06674732823364922">
<density units="sum" />
<nuclide ao="1e-14" name="Xe135" />
<nuclide ao="1e-14" name="Xe136" />
<nuclide ao="1e-14" name="Gd157" />
<nuclide ao="1e-14" name="Gd156" />
<nuclide ao="1.00506e-05" name="U234" />
<nuclide ao="0.0010569199999999998" name="U235" />
<nuclide ao="0.022137099999999996" name="U238" />
<nuclide ao="0.046295399999999994" name="O16" />
<nuclide ao="0.00011276839999999999" name="O17" />
<nuclide ao="4.406303147079341e-07" name="Cs135" />
@ -229,13 +155,6 @@
</material>
<material depletable="true" id="12" temperature="293.6" volume="0.06674732823364922">
<density units="sum" />
<nuclide ao="1e-14" name="Xe135" />
<nuclide ao="1e-14" name="Xe136" />
<nuclide ao="1e-14" name="Gd157" />
<nuclide ao="1e-14" name="Gd156" />
<nuclide ao="1.00506e-05" name="U234" />
<nuclide ao="0.0010569199999999998" name="U235" />
<nuclide ao="0.022137099999999996" name="U238" />
<nuclide ao="0.046295399999999994" name="O16" />
<nuclide ao="0.00011276839999999999" name="O17" />
<nuclide ao="4.327328464626704e-07" name="Cs135" />
@ -250,13 +169,6 @@
</material>
<material depletable="true" id="13" temperature="293.6" volume="0.06674732823364922">
<density units="sum" />
<nuclide ao="1e-14" name="Xe135" />
<nuclide ao="1e-14" name="Xe136" />
<nuclide ao="1e-14" name="Gd157" />
<nuclide ao="1e-14" name="Gd156" />
<nuclide ao="1.00506e-05" name="U234" />
<nuclide ao="0.0010569199999999998" name="U235" />
<nuclide ao="0.022137099999999996" name="U238" />
<nuclide ao="0.046295399999999994" name="O16" />
<nuclide ao="0.00011276839999999999" name="O17" />
<nuclide ao="4.582600012666176e-07" name="Cs135" />
@ -271,10 +183,6 @@
</material>
<material depletable="true" id="14" temperature="293.6" volume="0.06674732823364922">
<density units="sum" />
<nuclide ao="0.00010815599999999999" name="Gd157" />
<nuclide ao="3.9551699999999996e-14" name="Gd156" />
<nuclide ao="0.00103579" name="U235" />
<nuclide ao="0.021694299999999996" name="U238" />
<nuclide ao="0.0464035" name="O16" />
<nuclide ao="4.2175046450192374e-07" name="Cs135" />
<nuclide ao="4.2762518468614226e-09" name="Gd156" />
@ -288,13 +196,6 @@
</material>
<material depletable="true" id="15" temperature="293.6" volume="0.06674732823364922">
<density units="sum" />
<nuclide ao="1e-14" name="Xe135" />
<nuclide ao="1e-14" name="Xe136" />
<nuclide ao="1e-14" name="Gd157" />
<nuclide ao="1e-14" name="Gd156" />
<nuclide ao="1.00506e-05" name="U234" />
<nuclide ao="0.0010569199999999998" name="U235" />
<nuclide ao="0.022137099999999996" name="U238" />
<nuclide ao="0.046295399999999994" name="O16" />
<nuclide ao="0.00011276839999999999" name="O17" />
<nuclide ao="4.738331340510774e-07" name="Cs135" />
@ -309,13 +210,6 @@
</material>
<material depletable="true" id="16" temperature="293.6" volume="0.06674732823364922">
<density units="sum" />
<nuclide ao="1e-14" name="Xe135" />
<nuclide ao="1e-14" name="Xe136" />
<nuclide ao="1e-14" name="Gd157" />
<nuclide ao="1e-14" name="Gd156" />
<nuclide ao="1.00506e-05" name="U234" />
<nuclide ao="0.0010569199999999998" name="U235" />
<nuclide ao="0.022137099999999996" name="U238" />
<nuclide ao="0.046295399999999994" name="O16" />
<nuclide ao="0.00011276839999999999" name="O17" />
<nuclide ao="4.6613464771383493e-07" name="Cs135" />
@ -330,13 +224,6 @@
</material>
<material depletable="true" id="17" temperature="293.6" volume="0.06674732823364922">
<density units="sum" />
<nuclide ao="1e-14" name="Xe135" />
<nuclide ao="1e-14" name="Xe136" />
<nuclide ao="1e-14" name="Gd157" />
<nuclide ao="1e-14" name="Gd156" />
<nuclide ao="1.00506e-05" name="U234" />
<nuclide ao="0.0010569199999999998" name="U235" />
<nuclide ao="0.022137099999999996" name="U238" />
<nuclide ao="0.046295399999999994" name="O16" />
<nuclide ao="0.00011276839999999999" name="O17" />
<nuclide ao="4.568926074046896e-07" name="Cs135" />
@ -351,13 +238,6 @@
</material>
<material depletable="true" id="18" temperature="293.6" volume="0.06674732823364922">
<density units="sum" />
<nuclide ao="1e-14" name="Xe135" />
<nuclide ao="1e-14" name="Xe136" />
<nuclide ao="1e-14" name="Gd157" />
<nuclide ao="1e-14" name="Gd156" />
<nuclide ao="1.00506e-05" name="U234" />
<nuclide ao="0.0010569199999999998" name="U235" />
<nuclide ao="0.022137099999999996" name="U238" />
<nuclide ao="0.046295399999999994" name="O16" />
<nuclide ao="0.00011276839999999999" name="O17" />
<nuclide ao="4.132121114226326e-07" name="Cs135" />
@ -372,13 +252,6 @@
</material>
<material depletable="true" id="19" temperature="293.6" volume="0.06674732823364922">
<density units="sum" />
<nuclide ao="1e-14" name="Xe135" />
<nuclide ao="1e-14" name="Xe136" />
<nuclide ao="1e-14" name="Gd157" />
<nuclide ao="1e-14" name="Gd156" />
<nuclide ao="1.00506e-05" name="U234" />
<nuclide ao="0.0010569199999999998" name="U235" />
<nuclide ao="0.022137099999999996" name="U238" />
<nuclide ao="0.046295399999999994" name="O16" />
<nuclide ao="0.00011276839999999999" name="O17" />
<nuclide ao="4.6785062457643253e-07" name="Cs135" />
@ -393,13 +266,6 @@
</material>
<material depletable="true" id="20" temperature="293.6" volume="0.06674732823364922">
<density units="sum" />
<nuclide ao="1e-14" name="Xe135" />
<nuclide ao="1e-14" name="Xe136" />
<nuclide ao="1e-14" name="Gd157" />
<nuclide ao="1e-14" name="Gd156" />
<nuclide ao="1.00506e-05" name="U234" />
<nuclide ao="0.0010569199999999998" name="U235" />
<nuclide ao="0.022137099999999996" name="U238" />
<nuclide ao="0.046295399999999994" name="O16" />
<nuclide ao="0.00011276839999999999" name="O17" />
<nuclide ao="4.3242533875789617e-07" name="Cs135" />
@ -414,13 +280,6 @@
</material>
<material depletable="true" id="21" temperature="293.6" volume="0.06674732823364922">
<density units="sum" />
<nuclide ao="1e-14" name="Xe135" />
<nuclide ao="1e-14" name="Xe136" />
<nuclide ao="1e-14" name="Gd157" />
<nuclide ao="1e-14" name="Gd156" />
<nuclide ao="1.00506e-05" name="U234" />
<nuclide ao="0.0010569199999999998" name="U235" />
<nuclide ao="0.022137099999999996" name="U238" />
<nuclide ao="0.046295399999999994" name="O16" />
<nuclide ao="0.00011276839999999999" name="O17" />
<nuclide ao="4.240322874842906e-07" name="Cs135" />
@ -435,13 +294,6 @@
</material>
<material depletable="true" id="22" temperature="293.6" volume="0.06674732823364922">
<density units="sum" />
<nuclide ao="1e-14" name="Xe135" />
<nuclide ao="1e-14" name="Xe136" />
<nuclide ao="1e-14" name="Gd157" />
<nuclide ao="1e-14" name="Gd156" />
<nuclide ao="1.00506e-05" name="U234" />
<nuclide ao="0.0010569199999999998" name="U235" />
<nuclide ao="0.022137099999999996" name="U238" />
<nuclide ao="0.046295399999999994" name="O16" />
<nuclide ao="0.00011276839999999999" name="O17" />
<nuclide ao="4.5291421182990846e-07" name="Cs135" />
@ -456,10 +308,6 @@
</material>
<material depletable="true" id="23" temperature="293.6" volume="0.06674732823364922">
<density units="sum" />
<nuclide ao="0.00010815599999999999" name="Gd157" />
<nuclide ao="3.9551699999999996e-14" name="Gd156" />
<nuclide ao="0.00103579" name="U235" />
<nuclide ao="0.021694299999999996" name="U238" />
<nuclide ao="0.0464035" name="O16" />
<nuclide ao="4.4697656765961874e-07" name="Cs135" />
<nuclide ao="4.089132470651742e-09" name="Gd156" />
@ -473,13 +321,6 @@
</material>
<material depletable="true" id="24" temperature="293.6" volume="0.06674732823364922">
<density units="sum" />
<nuclide ao="1e-14" name="Xe135" />
<nuclide ao="1e-14" name="Xe136" />
<nuclide ao="1e-14" name="Gd157" />
<nuclide ao="1e-14" name="Gd156" />
<nuclide ao="1.00506e-05" name="U234" />
<nuclide ao="0.0010569199999999998" name="U235" />
<nuclide ao="0.022137099999999996" name="U238" />
<nuclide ao="0.046295399999999994" name="O16" />
<nuclide ao="0.00011276839999999999" name="O17" />
<nuclide ao="4.466376936130862e-07" name="Cs135" />
@ -494,13 +335,6 @@
</material>
<material depletable="true" id="25" temperature="293.6" volume="0.06674732823364922">
<density units="sum" />
<nuclide ao="1e-14" name="Xe135" />
<nuclide ao="1e-14" name="Xe136" />
<nuclide ao="1e-14" name="Gd157" />
<nuclide ao="1e-14" name="Gd156" />
<nuclide ao="1.00506e-05" name="U234" />
<nuclide ao="0.0010569199999999998" name="U235" />
<nuclide ao="0.022137099999999996" name="U238" />
<nuclide ao="0.046295399999999994" name="O16" />
<nuclide ao="0.00011276839999999999" name="O17" />
<nuclide ao="4.3802981392738887e-07" name="Cs135" />
@ -515,13 +349,6 @@
</material>
<material depletable="true" id="26" temperature="293.6" volume="0.06674732823364922">
<density units="sum" />
<nuclide ao="1e-14" name="Xe135" />
<nuclide ao="1e-14" name="Xe136" />
<nuclide ao="1e-14" name="Gd157" />
<nuclide ao="1e-14" name="Gd156" />
<nuclide ao="1.00506e-05" name="U234" />
<nuclide ao="0.0010569199999999998" name="U235" />
<nuclide ao="0.022137099999999996" name="U238" />
<nuclide ao="0.046295399999999994" name="O16" />
<nuclide ao="0.00011276839999999999" name="O17" />
<nuclide ao="4.217039440346574e-07" name="Cs135" />
@ -536,13 +363,6 @@
</material>
<material depletable="true" id="27" temperature="293.6" volume="0.06674732823364922">
<density units="sum" />
<nuclide ao="1e-14" name="Xe135" />
<nuclide ao="1e-14" name="Xe136" />
<nuclide ao="1e-14" name="Gd157" />
<nuclide ao="1e-14" name="Gd156" />
<nuclide ao="1.00506e-05" name="U234" />
<nuclide ao="0.0010569199999999998" name="U235" />
<nuclide ao="0.022137099999999996" name="U238" />
<nuclide ao="0.046295399999999994" name="O16" />
<nuclide ao="0.00011276839999999999" name="O17" />
<nuclide ao="4.4660744895745063e-07" name="Cs135" />
@ -557,13 +377,6 @@
</material>
<material depletable="true" id="28" temperature="293.6" volume="0.06674732823364922">
<density units="sum" />
<nuclide ao="1e-14" name="Xe135" />
<nuclide ao="1e-14" name="Xe136" />
<nuclide ao="1e-14" name="Gd157" />
<nuclide ao="1e-14" name="Gd156" />
<nuclide ao="1.00506e-05" name="U234" />
<nuclide ao="0.0010569199999999998" name="U235" />
<nuclide ao="0.022137099999999996" name="U238" />
<nuclide ao="0.046295399999999994" name="O16" />
<nuclide ao="0.00011276839999999999" name="O17" />
<nuclide ao="4.3674309112215355e-07" name="Cs135" />
@ -578,13 +391,6 @@
</material>
<material depletable="true" id="29" temperature="293.6" volume="0.06674732823364922">
<density units="sum" />
<nuclide ao="1e-14" name="Xe135" />
<nuclide ao="1e-14" name="Xe136" />
<nuclide ao="1e-14" name="Gd157" />
<nuclide ao="1e-14" name="Gd156" />
<nuclide ao="1.00506e-05" name="U234" />
<nuclide ao="0.0010569199999999998" name="U235" />
<nuclide ao="0.022137099999999996" name="U238" />
<nuclide ao="0.046295399999999994" name="O16" />
<nuclide ao="0.00011276839999999999" name="O17" />
<nuclide ao="4.56550369712442e-07" name="Cs135" />
@ -599,13 +405,6 @@
</material>
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@ -620,13 +419,6 @@
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@ -641,10 +433,6 @@
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@ -658,13 +446,6 @@
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@ -679,13 +460,6 @@
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@ -700,13 +474,6 @@
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@ -721,13 +488,6 @@
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@ -742,13 +502,6 @@
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@ -763,13 +516,6 @@
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@ -784,13 +530,6 @@
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@ -805,13 +544,6 @@
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@ -826,10 +558,6 @@
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@ -843,13 +571,6 @@
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@ -864,13 +585,6 @@
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@ -885,13 +599,6 @@
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@ -906,13 +613,6 @@
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@ -927,13 +627,6 @@
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@ -948,13 +641,6 @@
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@ -969,13 +655,6 @@
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@ -990,13 +669,6 @@
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@ -1011,10 +683,6 @@
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@ -1028,13 +696,6 @@
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@ -1049,13 +710,6 @@
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@ -1070,13 +724,6 @@
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@ -1091,13 +738,6 @@
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@ -1112,13 +752,6 @@
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@ -1133,13 +766,6 @@
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@ -1154,13 +780,6 @@
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@ -1175,13 +794,6 @@
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@ -1196,10 +808,6 @@
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@ -1213,13 +821,6 @@
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@ -1234,13 +835,6 @@
</material>
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@ -1255,13 +849,6 @@
</material>
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@ -1276,13 +863,6 @@
</material>
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@ -1297,13 +877,6 @@
</material>
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@ -1318,13 +891,6 @@
</material>
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@ -1339,13 +905,6 @@
</material>
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@ -1360,13 +919,6 @@
</material>
<material depletable="true" id="67" temperature="293.6" volume="0.06674732823364922">
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@ -1381,10 +933,6 @@
</material>
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@ -1398,13 +946,6 @@
</material>
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@ -1419,13 +960,6 @@
</material>
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@ -1440,13 +974,6 @@
</material>
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@ -1461,13 +988,6 @@
</material>
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