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README.md
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---
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dataset_info:
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features:
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- name: numbers
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sequence: int64
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- name: positions
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sequence:
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sequence: float32
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- name: forces
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sequence:
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sequence: float32
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- name: cell
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dtype:
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array2_d:
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shape:
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- 3
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- 3
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dtype: float32
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- name: pbc
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sequence: bool
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- name: energy
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dtype: float32
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- name: stress
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dtype:
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array2_d:
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shape:
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- 3
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- 3
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dtype: float32
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- name: e_per_atom_relaxed
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dtype: float32
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- name: mp_id
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dtype: string
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- name: energy_per_atom
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dtype: float32
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- name: ef_per_atom_relaxed
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dtype: float32
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- name: corrected_total_energy
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dtype: float32
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- name: ef_per_atom
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dtype: float32
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- name: task_id
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dtype: string
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- name: calc_id
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dtype: int64
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- name: ionic_step
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dtype: int64
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- name: filename
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dtype: string
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- name: extxyz_id
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dtype: int64
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- name: num_atoms
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dtype: int64
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splits:
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- name: train
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num_bytes: 2283819542.1144104
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num_examples: 1559916
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- name: val
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num_bytes: 14942254.741165342
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num_examples: 10206
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- name: test
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num_bytes: 15040347.144424021
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num_examples: 10273
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download_size: 1670442618
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dataset_size: 2313802143.9999995
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configs:
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- config_name: default
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data_files:
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- split: train
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path: data/train-*
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- split: val
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path: data/val-*
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- split: test
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path: data/test-*
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---
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data/test-00000-of-00001.parquet
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version https://git-lfs.github.com/spec/v1
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oid sha256:ec2ad7e4ca3d237876527edba0dbce533c816a1feda2ddd3692df0c29d54649d
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size 10778470
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data/train-00000-of-00005.parquet
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version https://git-lfs.github.com/spec/v1
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oid sha256:d30260ed7276e3e769225380b353eaa1cd04e9cccb62bab2895f329ffc8be13c
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size 329570187
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data/train-00001-of-00005.parquet
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version https://git-lfs.github.com/spec/v1
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oid sha256:4212726f29e1af2893dd0c005752a534138c7ae4cfa01b63b02c9737fdf790b2
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size 330849225
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data/train-00002-of-00005.parquet
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version https://git-lfs.github.com/spec/v1
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oid sha256:baa1f8ce36edac04589a6a64c28b21009ed9f4c9e0c7f39755cea2c709a00703
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size 329279964
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data/train-00003-of-00005.parquet
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version https://git-lfs.github.com/spec/v1
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oid sha256:a8adbfe09ad84b754c037b9ca8ca92a409db44661736e575eea763ad2efae929
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size 329378575
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data/train-00004-of-00005.parquet
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version https://git-lfs.github.com/spec/v1
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oid sha256:531d7c0fbdd940f1a16bd1fb1fdf3a7ef06dbc9cb701d85ed7f7b6447a5f7451
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size 329709247
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data/val-00000-of-00001.parquet
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version https://git-lfs.github.com/spec/v1
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oid sha256:5ff7bc7ad84227bc6dec5a2582166074248b26100abacd16cb77e02000f15717
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size 10876950
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