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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 1526-8 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
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ID
✕
Formula
✕
Username
✕
1526
Au
8
Si
4
yangxb
1527
Au
8
Si
4
yangxb
1528
Au
8
Si
4
yangxb
1529
Au
8
Si
4
yangxb
1530
Au
8
Si
4
yangxb
1531
Au
8
Si
4
yangxb
1532
Au
8
Si
4
yangxb
1533
Au
8
Si
4
yangxb
1534
Au
8
Si
4
yangxb
1535
Au
8
Si
4
yangxb
1536
Au
8
Si
4
yangxb
1537
Au
8
Si
4
yangxb
1538
Au
8
Si
4
yangxb
1539
Au
8
Si
4
yangxb
1540
Au
8
Si
4
yangxb
1541
Au
8
Si
4
yangxb
1542
Au
8
Si
4
yangxb
1543
Au
8
Si
4
yangxb
1544
Au
8
Si
4
yangxb
1545
Au
8
Si
4
yangxb
1546
Au
8
Si
4
yangxb
1547
Au
8
Si
4
yangxb
1548
Au
8
Si
4
yangxb
1549
Au
8
Si
4
yangxb
1550
Au
8
Si
4
yangxb
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