gpwolfe commited on
Commit
1114364
·
verified ·
1 Parent(s): 1342652

Delete README.md

Browse files
Files changed (1) hide show
  1. README.md +0 -36
README.md DELETED
@@ -1,36 +0,0 @@
1
- ---
2
- configs:
3
- - config_name: default
4
- data_files: "main/*.parquet"
5
- license: cc-by-4.0
6
- tags:
7
- - molecular dynamics
8
- - mlip
9
- - interatomic potential
10
- pretty_name: C Gardner 2022
11
- ---
12
- ### Cite this dataset
13
- Gardner, J. L. A., Beaulieu, Z. F., and Deringer, V. L. _C Gardner 2022_. ColabFit, 2023. https://doi.org/10.60732/8ecd90ee
14
- ### View on the ColabFit Exchange
15
- https://materials.colabfit.org/id/DS_mma0w04wa4cs_0
16
- # Dataset Name
17
- C Gardner 2022
18
- ### Description
19
- Approximately 115,000 configurations of carbon with 200 atoms, with simulated melt, quench, reheat, then annealing at the noted temperature. Includes a variety of carbon structures.
20
- <br>Additional details stored in dataset columns prepended with "dataset_".
21
- ### Dataset authors
22
- John L. A. Gardner, Zoé Faure Beaulieu, Volker L. Deringer
23
- ### Publication
24
- https://doi.org/10.48550/arXiv.2211.16443
25
- ### Original data link
26
- https://github.com/jla-gardner/carbon-data
27
- ### License
28
- CC-BY-4.0
29
- ### Number of unique molecular configurations
30
- 115206
31
- ### Number of atoms
32
- 23041200
33
- ### Elements included
34
- C
35
- ### Properties included
36
- atomic forces, cauchy stress