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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 2176-2180 out of 2180
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E
ASE-calculator name (calculator)
Maximum force (fmax)
Magnetic moment (magmom)
Number of atoms (natoms)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Username
✕
Charge
✕
Age
✕
PBC
✕
Mass
✕
Volume
✕
Au_rate
✕
Energy
✕
Maximum stress
✕
Si_rate
✕
2176
Au
20
Si
8
yangxb
0.000
59M
TTT
4164.011
3441.434
0.714
-100.818
0.000
0.286
2177
Au
20
Si
8
yangxb
0.000
59M
TTT
4164.011
3441.277
0.714
-100.824
0.001
0.286
2178
Au
20
Si
8
yangxb
0.000
59M
TTT
4164.011
3442.330
0.714
-100.808
0.000
0.286
2179
Au
20
Si
8
yangxb
0.000
59M
TTT
4164.011
3442.613
0.714
-100.788
0.000
0.286
2180
Au
20
Si
8
yangxb
0.000
59M
TTT
4164.011
3441.097
0.714
-100.838
0.000
0.286
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