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..
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gehlenite
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CSD_CIF_GLYCIN20_nmr.magres.json
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CSD_CIF_GLYCIN20_nmr.new.magres
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NaClO3.magres
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T1Si0.magres
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WPb2ZnF6.magres
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alanine-jc-all.magres
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alanine.castep
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alanine.magres
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alanine.magres.json
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average1.magres
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average2.magres
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ethanol-all.magres
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ethanol-jc-all.magres
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ethanol-jc.magres
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ethanol-jc.magres.json
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ethanol-nmr.magres
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ethanol.castep
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ethanol.magres
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ethanol.png
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exp.yaml
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glycine-relaxed.magres
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glycine.magres
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simple.magres
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