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ASE database

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Dipole_val
ads_E
ads_site
age	Time since creation
atom_E
calculator	ASE-calculator name
charge	Net charge in unit cell	\|e\|
distance
energy	Total energy	eV
fmax	Maximum force	eV/Ang
formula	Chemical formula
id	Uniqe row ID
magmom	Magnetic moment	au
mass	Sum of atomic masses in unit cell	au
natoms	Number of atoms
pbc	Periodic boundary conditions
plane_index
slab_E
smax	Maximum stress on unit cell	eV/Ang³
str_E
unique_id	Random (unique) ID
user	Username
volume	Volume of unit cell	Ang³

Displaying rows 376-17 out of 17

Database file
JSON file
VASP file
last_column file

Dipole_val
ads_E
ads_site
Time since creation (age)
atom_E
ASE-calculator name (calculator)
Net charge in unit cell (charge)
distance
Total energy (energy)
Maximum force (fmax)
Chemical formula (formula)
Magnetic moment (magmom)
Sum of atomic masses in unit cell (mass)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
plane_index
slab_E
Maximum stress on unit cell (smax)
str_E
Username (user)
Volume of unit cell (volume)

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