ASE database

Maximum force ✕	Username ✕	Volume ✕	Charge ✕	Age ✕	PBC ✕	Mass ✕	C_rate ✕	Maximum stress ✕	Calculator ✕	gap ✕	Energy ✕
0.000	mse-gucc	95.304	0.000	6y	TTT	17285.869	0.000	0.000	vasp	4.450	-139.612
0.000	mse-gucc	90.883	0.000	6y	TTT	17285.869	1.000	0.009	vasp	4.125	-145.497

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