13 lines
595 B
Plaintext
13 lines
595 B
Plaintext
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# example for performing a query to the OpenKIM test database to retrieve
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# a parameter to be used in the input. here it requests the aluminium
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# lattice constant for a specific test used for a specific model and then
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# assigns it to the variable 'latconst'
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kim_init EAM_CubicNaturalSpline_ErcolessiAdams_1994_Al__MO_800509458712_002 metal
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info variables out log
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kim_query latconst split get_test_result test=TE_156715955670 species=["Al"] prop=structure-cubic-crystal-npt keys=["a","a"] units=["angstrom","angstrom"]
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info variables out log
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lattice fcc ${latconst_1}
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lattice fcc ${latconst_2}
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