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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 1001-8 out of 8
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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)
Sum of atomic masses in unit cell (mass)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
Maximum stress on unit cell (smax)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Username
✕
1001
Au
8
Si
4
yangxb
1002
Au
8
Si
4
yangxb
1003
Au
8
Si
4
yangxb
1004
Au
8
Si
4
yangxb
1005
Au
8
Si
4
yangxb
1006
Au
8
Si
4
yangxb
1007
Au
8
Si
4
yangxb
1008
Au
8
Si
4
yangxb
1009
Au
8
Si
4
yangxb
1010
Au
8
Si
4
yangxb
1011
Au
8
Si
4
yangxb
1012
Au
8
Si
4
yangxb
1013
Au
8
Si
4
yangxb
1014
Au
8
Si
4
yangxb
1015
Au
8
Si
4
yangxb
1016
Au
8
Si
4
yangxb
1017
Au
8
Si
4
yangxb
1018
Au
8
Si
4
yangxb
1019
Au
8
Si
4
yangxb
1020
Au
8
Si
4
yangxb
1021
Au
8
Si
4
yangxb
1022
Au
8
Si
4
yangxb
1023
Au
8
Si
4
yangxb
1024
Au
8
Si
4
yangxb
1025
Au
8
Si
4
yangxb
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