metadata
dataset_info:
config_name: unique_pbe
features:
- name: elements
sequence: string
- name: nsites
dtype: int32
- name: chemical_formula_anonymous
dtype: string
- name: chemical_formula_reduced
dtype: string
- name: chemical_formula_descriptive
dtype: string
- name: nelements
dtype: int8
- name: dimension_types
sequence: int8
- name: nperiodic_dimensions
dtype: int8
- name: lattice_vectors
sequence:
sequence: float64
- name: immutable_id
dtype: string
- name: cartesian_site_positions
sequence:
sequence: float64
- name: species
dtype: string
- name: species_at_sites
sequence: string
- name: last_modified
dtype: string
- name: elements_ratios
sequence: float64
- name: stress_tensor
sequence:
sequence: float64
- name: energy
dtype: float64
- name: magnetic_moments
sequence: float64
- name: forces
sequence:
sequence: float64
- name: total_magnetization
dtype: float64
- name: dos_ef
dtype: float64
- name: functional
dtype: string
- name: cross_compatibility
dtype: bool
- name: entalpic_fingerprint
dtype: string
splits:
- name: train
num_bytes: 7680710235
num_examples: 5005017
download_size: 2956223586
dataset_size: 7680710235
configs:
- config_name: unique_pbe
data_files:
- split: train
path: unique_pbe/train-*