Add alpha_brass_nanoparticles files

README.md

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+---
+configs:
+- config_name: default
+  data_files: "co/*.parquet"
+- config_name: info
+  data_files: "ds.parquet"
+- config_name: configuration_sets
+  data_files: "cs/*.parquet"
+- config_name: config_set_mapping
+  data_files: "cs_co_map/*.parquet"
+license: cc-by-4.0
+tags:
+- molecular dynamics
+- mlip
+- interatomic potential
+pretty_name: alpha brass nanoparticles
+---
+### <details><summary>Cite this dataset </summary>Weinreich, J., Römer, A., Paleico, M. L., and Behler, J. _alpha brass nanoparticles_. ColabFit, 2023. https://doi.org/10.60732/f127f7e7</details>  
+#### This dataset has been curated and formatted for the ColabFit Exchange  
+#### This dataset is also available on the ColabFit Exchange:  
+https://materials.colabfit.org/id/DS_agiti2oe5bqb_0  
+#### Visit the ColabFit Exchange to search additional datasets by author, description, element content and more.  
+https://materials.colabfit.org
+<br><hr>  
+# Dataset  Name  
+alpha brass nanoparticles  
+### Description  
+53,841 structures of alpha-brass (less than 40% Zinc). Includes atomic forces and total energy. Calculated using VASP at the DFT level of theory.  
+### Dataset authors  
+Jan Weinreich, Anton Römer, Martín Leandro Paleico, Jörg Behler  
+### Publication  
+https://doi.org/10.1021/acs.jpcc.1c02314  
+### Original data link  
+https://doi.org/10.24435/materialscloud:94-aq  
+### License  
+CC-BY-4.0  
+### Number of unique molecular configurations  
+53475  
+### Number of atoms  
+2951436  
+### Elements included  
+Cu, Zn  
+### Properties included  
+energy, atomic forces, cauchy stress  
+<br>
+<hr>  
+
+# Usage  
+- `ds.parquet` : Aggregated dataset information.  
+- `co/` directory: Configuration rows each include a structure, calculated properties, and metadata.  
+- `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.  
+- `cs_co_map/` directory : The mapping of configurations to configuration sets (if defined).  
+<br>
+#### ColabFit Exchange documentation includes descriptions of content and example code for parsing parquet files:  
+- [Parquet parsing: example code](https://materials.colabfit.org/docs/how_to_use_parquet)  
+- [Dataset info schema](https://materials.colabfit.org/docs/dataset_schema)  
+- [Configuration schema](https://materials.colabfit.org/docs/configuration_schema)  
+- [Configuration set schema](https://materials.colabfit.org/docs/configuration_set_schema)  
+- [Configuration set to configuration mapping schema](https://materials.colabfit.org/docs/cs_co_mapping_schema)  

co/co_0.parquet

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+version https://git-lfs.github.com/spec/v1
+oid sha256:05442391ebc538c460c28cc4868d57dbdac50bec20c311193b1af30856b45aaa
+size 137793764

cs/cs_0.parquet

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+version https://git-lfs.github.com/spec/v1
+oid sha256:bd263963ff804aa4f8ef587a1be8e47dd7fc5371096b3478c7fa4de3db09cb54
+size 7910

cs_co_map/cs_co_map_0.parquet

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+version https://git-lfs.github.com/spec/v1
+oid sha256:d87635242a0b4d3002bd5e0226ace8906349237ecf6c1ba499dd77ee9e61e007
+size 634932

ds.parquet

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+version https://git-lfs.github.com/spec/v1
+oid sha256:1215d14e30078e034735d828cfb0f445a99a84b31938c94b249459a2bbc234ba
+size 16701