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specify metal in surfaceThermoLi
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input/thermo/libraries/surfaceThermoLi.py

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@@ -23,4 +23,6 @@
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H298 = (0,'kcal/mol'),
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S298 = (0,'cal/(mol*K)'),
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),
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metal = "Li",
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facet = "110",
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)

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