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

Displaying rows 376-400 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_num
Maximum stress on unit cell (smax)
Username (user)
Volume of unit cell (volume)

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↑ ID ✕	Formula ✕
39	C₆₀H₁₈
38	C₆₀H₁₈
37	C₆₀H₁₈
36	C₆₀H₁₈
35	C₆₀H₁₈
34	C₆₀H₁₈
33	C₆₀H₁₈
32	C₆₀H₁₈
31	C₆₀H₁₈
30	C₆₀H₁₈
29	C₆₀H₁₈
28	C₆₀H₁₈
27	C₆₀H₁₈
26	C₆₀H₁₈
25	C₆₀H₁₈
24	C₆₀H₁₈
23	C₆₀H₁₈
22	C₆₀H₁₈
21	C₆₀H₁₈
20	C₆₀H₁₈
19	C₆₀H₁₈
18	C₆₀H₁₈
17	C₆₀H₁₈
16	C₆₀H₁₈
15	C₆₀H₁₈

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