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ASE database

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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
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
perms_num
perms_number
smax	Maximum stress on unit cell	eV/Ang³
unique_id	Random (unique) ID
user	Username
volume	Volume of unit cell	Ang³

Displaying rows 476-500 out of 2180

Database file
JSON file
VASP file
last_column file

Time since creation (age)
ASE-calculator name (calculator)
Net charge in unit cell (charge)
Total energy (energy)
Maximum force (fmax)
Magnetic moment (magmom)
Sum of atomic masses in unit cell (mass)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
perms_number
Maximum stress on unit cell (smax)
Username (user)
Volume of unit cell (volume)

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↑ ID ✕	Formula ✕
42	C₆₀H₃₆
41	C₆₀H₃₆
40	C₆₀H₃₆
39	C₆₀H₃₆
38	C₆₀H₃₆
37	C₆₀H₃₆
36	C₆₀H₃₆
35	C₆₀H₃₆
34	C₆₀H₃₆
33	C₆₀H₃₆
32	C₆₀H₃₆
31	C₆₀H₃₆
30	C₆₀H₃₆
29	C₆₀H₃₆
28	C₆₀H₃₆
27	C₆₀H₃₆
26	C₆₀H₃₆
25	C₆₀H₃₆
24	C₆₀H₃₆
23	C₆₀H₃₆
22	C₆₀H₃₆
21	C₆₀H₃₆
20	C₆₀H₃₆
19	C₆₀H₃₆
18	C₆₀H₃₆

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