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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 1601-18 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
100
200
↓
ID
✕
Formula
✕
Username
✕
1601
Au
8
Si
4
yangxb
1602
Au
8
Si
4
yangxb
1603
Au
8
Si
4
yangxb
1604
Au
8
Si
4
yangxb
1605
Au
8
Si
4
yangxb
1606
Au
8
Si
4
yangxb
1607
Au
8
Si
4
yangxb
1608
Au
8
Si
4
yangxb
1609
Au
8
Si
4
yangxb
1610
Au
8
Si
4
yangxb
1611
Au
8
Si
4
yangxb
1612
Au
8
Si
4
yangxb
1613
Au
8
Si
4
yangxb
1614
Au
8
Si
4
yangxb
1615
Au
8
Si
4
yangxb
1616
Au
8
Si
4
yangxb
1617
Au
8
Si
4
yangxb
1618
Au
8
Si
4
yangxb
1619
Au
8
Si
4
yangxb
1620
Au
8
Si
4
yangxb
1621
Au
8
Si
4
yangxb
1622
Au
8
Si
4
yangxb
1623
Au
8
Si
4
yangxb
1624
Au
16
Si
8
yangxb
1625
Au
16
Si
8
yangxb
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