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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 701-18 out of 18
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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
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200
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ID
✕
Formula
✕
Username
✕
701
Au
16
Si
8
yangxb
702
Au
16
Si
8
yangxb
703
Au
16
Si
8
yangxb
704
Au
16
Si
8
yangxb
705
Au
16
Si
8
yangxb
706
Au
16
Si
8
yangxb
707
Au
16
Si
8
yangxb
708
Au
16
Si
8
yangxb
709
Au
16
Si
8
yangxb
710
Au
16
Si
8
yangxb
711
Au
16
Si
8
yangxb
712
Au
16
Si
8
yangxb
713
Au
16
Si
8
yangxb
714
Au
16
Si
8
yangxb
715
Au
16
Si
8
yangxb
716
Au
16
Si
8
yangxb
717
Au
16
Si
8
yangxb
718
Au
16
Si
8
yangxb
719
Au
16
Si
8
yangxb
720
Au
16
Si
8
yangxb
721
Au
16
Si
8
yangxb
722
Au
16
Si
8
yangxb
723
Au
16
Si
8
yangxb
724
Au
16
Si
8
yangxb
725
Au
16
Si
8
yangxb
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