Update README.md
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README.md
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@@ -52,3 +52,4 @@ We put an emphasis on this to underline the statement from Entalpic's own page t
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- "lematerial_hexagonals.cif" contains 97,285 hexagonal structures
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- "lematerial_cubics.cif" contains 571,308 cubic structures
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- "lematerial_metastables.cif" contains 506,837 metastable (Ehull <= 0.1 eV/atom) structures from any crystal system
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- "lematerial_hexagonals.cif" contains 97,285 hexagonal structures
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| 53 |
- "lematerial_cubics.cif" contains 571,308 cubic structures
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| 54 |
- "lematerial_metastables.cif" contains 506,837 metastable (Ehull <= 0.1 eV/atom) structures from any crystal system
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- "lematerial_metastables_w_energies.cif" is equivalent to "lematerial_metastables.cif" but total energies and energies above hull are added to data under the '_total_energy_pbe' and '_above_hull_energy_pbe' keys, respectively.
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