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Au_rate
E
Si_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
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
smax
Maximum stress on unit cell
eV/Ang
3
unique_id
Random (unique) ID
user
Username
volume
Volume of unit cell
Ang
3
Displaying rows 1001-17 out of 17
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Au_rate
E
Si_rate
Time since creation (age)
ASE-calculator name (calculator)
Net charge in unit cell (charge)
Total energy (energy)
Maximum force (fmax)
Magnetic moment (magmom)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
Maximum stress on unit cell (smax)
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Mass
✕
1001
Au
8
Si
4
1688.073
1002
Au
8
Si
4
1688.073
1003
Au
8
Si
4
1688.073
1004
Au
8
Si
4
1688.073
1005
Au
8
Si
4
1688.073
1006
Au
8
Si
4
1688.073
1007
Au
8
Si
4
1688.073
1008
Au
8
Si
4
1688.073
1009
Au
8
Si
4
1688.073
1010
Au
8
Si
4
1688.073
1011
Au
8
Si
4
1688.073
1012
Au
8
Si
4
1688.073
1013
Au
8
Si
4
1688.073
1014
Au
8
Si
4
1688.073
1015
Au
8
Si
4
1688.073
1016
Au
8
Si
4
1688.073
1017
Au
8
Si
4
1688.073
1018
Au
8
Si
4
1688.073
1019
Au
8
Si
4
1688.073
1020
Au
8
Si
4
1688.073
1021
Au
8
Si
4
1688.073
1022
Au
8
Si
4
1688.073
1023
Au
8
Si
4
1688.073
1024
Au
8
Si
4
1688.073
1025
Au
8
Si
4
1688.073
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