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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 2126-414 out of 414
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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)
Uniqe row ID (id)
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)
Rows: 25
10
25
50
100
200
Formula
✕
Username
✕
Volume
✕
Au
14
Si
8
yangxb
2685.830
Au
14
Si
8
yangxb
2686.231
Au
10
Si
4
yangxb
1721.546
Au
10
Si
4
yangxb
1721.926
Au
10
Si
4
yangxb
1722.407
Au
10
Si
4
yangxb
1721.910
Au
10
Si
4
yangxb
1722.091
Au
10
Si
4
yangxb
1722.164
Au
10
Si
4
yangxb
1722.177
Au
10
Si
4
yangxb
1721.561
Au
10
Si
4
yangxb
1722.169
Au
10
Si
4
yangxb
1721.598
Au
10
Si
4
yangxb
1721.875
Au
10
Si
4
yangxb
1721.569
Au
10
Si
4
yangxb
1721.362
Au
10
Si
4
yangxb
1721.595
Au
10
Si
4
yangxb
1721.609
Au
10
Si
4
yangxb
1721.846
Au
10
Si
4
yangxb
1721.214
Au
10
Si
4
yangxb
1721.717
Au
10
Si
4
yangxb
1721.859
Au
10
Si
4
yangxb
1721.451
Au
10
Si
4
yangxb
1721.834
Au
10
Si
4
yangxb
1721.925
Au
10
Si
4
yangxb
1722.231
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