Revised Pt(111) coverage dependent thermo library#732
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The library previously contained only entries for vacant sites and XCO. This library has been revised to include all species in surfaceThermoPt111.py, with added coverage dependence when applicable. Revised species include: XCO, XO, XNO, XNO2, XCCH3, XCH, XH, XC, XCXC, XCHXC, CH3XCO, XCHXCH. The description for each entry has been updated to include the source of the coverage dependence data.