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Add files using upload-large-folder tool

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README.md ADDED
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+ ---
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+ configs:
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+ - config_name: default
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+ data_files: "co/*.parquet"
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+ - config_name: info
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+ data_files: "ds.parquet"
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+ license: cc-by-4.0
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+ tags:
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+ - molecular dynamics
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+ - mlip
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+ - interatomic potential
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+ pretty_name: Materials Project
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+ ---
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+ ### <details><summary>Cite this dataset </summary>Jain, A., Ong, S. P., Hautier, G., Chen, W., Richards, W. D., Dacek, S., Cholia, S., Gunter, D., Skinner, D., Ceder, G., and Persson, K. A. _Materials Project_. ColabFit, 2023. https://doi.org/10.60732/4bf2e346</details>
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+ #### This dataset has been curated and formatted for the ColabFit Exchange
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+ #### This dataset is also available on the ColabFit Exchange:
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+ https://materials.colabfit.org/id/DS_pv1f3dlo5dsc_0
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+ #### Visit the ColabFit Exchange to search additional datasets by author, description, element content and more.
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+ https://materials.colabfit.org
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+ <br><hr>
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+ # Dataset Name
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+ Materials Project
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+ ### Description
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+ Configurations from the Materials Project database: an online resource with the goal of computing properties of all inorganic materials.
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+ ### Dataset authors
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+ Anubhav Jain, Shyue Ping Ong, Geoffroy Hautier, Wei Chen, William Davidson Richards, Stephen Dacek, Shreyas Cholia, Dan Gunter, David Skinner, Gerbrand Ceder, Kristin A. Persson
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+ ### Publication
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+ https://doi.org/10.1063/1.4812323
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+ ### Original data link
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+ https://materialsproject.org
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+ ### License
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+ CC-BY-4.0
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+ ### Number of unique molecular configurations
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+ 6125462
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+ ### Number of atoms
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+ 194446050
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+ ### Elements included
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+ Ac, Ag, Al, Ar, As, Au, B, Ba, Be, Bi, Br, C, Ca, Cd, Ce, Cl, Co, Cr, Cs, Cu, Dy, Er, Eu, F, Fe, Ga, Gd, Ge, H, He, Hf, Hg, Ho, I, In, Ir, K, Kr, La, Li, Lu, Mg, Mn, Mo, N, Na, Nb, Nd, Ne, Ni, Np, O, Os, P, Pa, Pb, Pd, Pm, Pr, Pt, Pu, Rb, Re, Rh, Ru, S, Sb, Sc, Se, Si, Sm, Sn, Sr, Ta, Tb, Tc, Te, Th, Ti, Tl, Tm, U, V, W, Xe, Y, Yb, Zn, Zr
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+ ### Properties included
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+ energy, atomic forces, electronic band gap, cauchy stress
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+ <br>
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+ <hr>
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+
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+ # Usage
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+ - `ds.parquet` : Aggregated dataset information.
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+ - `co/` directory: Configuration rows each include a structure, calculated properties, and metadata.
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+ - `cs/` directory : Configuration sets are subsets of configurations grouped by some common characteristic. If `cs/` does not exist, no configurations sets have been defined for this dataset.
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+ - `cs_co_map/` directory : The mapping of configurations to configuration sets (if defined).
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+ <br>
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+ #### ColabFit Exchange documentation includes descriptions of content and example code for parsing parquet files:
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+ - [Parquet parsing: example code](https://materials.colabfit.org/docs/how_to_use_parquet)
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+ - [Dataset info schema](https://materials.colabfit.org/docs/dataset_schema)
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+ - [Configuration schema](https://materials.colabfit.org/docs/configuration_schema)
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+ - [Configuration set schema](https://materials.colabfit.org/docs/configuration_set_schema)
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+ - [Configuration set to configuration mapping schema](https://materials.colabfit.org/docs/cs_co_mapping_schema)
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