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ASE database
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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 2051-8 out of 8
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E
Time since creation (age)
ASE-calculator name (calculator)
Maximum force (fmax)
Chemical formula (formula)
Uniqe row ID (id)
Magnetic moment (magmom)
Sum of atomic masses in unit cell (mass)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
Si_rate
✕
Maximum stress
✕
Charge
✕
Au_rate
✕
Energy
✕
Username
✕
0.286
0.001
0.000
0.714
-50.034
yangxb
0.286
0.001
0.000
0.714
-50.032
yangxb
0.286
0.000
0.000
0.714
-50.035
yangxb
0.286
0.001
0.000
0.714
-50.044
yangxb
0.286
0.000
0.000
0.714
-50.030
yangxb
0.286
0.001
0.000
0.714
-50.032
yangxb
0.286
0.001
0.000
0.714
-50.041
yangxb
0.286
0.001
0.000
0.714
-50.036
yangxb
0.286
0.001
0.000
0.714
-50.025
yangxb
0.286
0.001
0.000
0.714
-50.035
yangxb
0.286
0.001
0.000
0.714
-50.022
yangxb
0.286
0.001
0.000
0.714
-50.034
yangxb
0.286
0.001
0.000
0.714
-50.021
yangxb
0.286
0.001
0.000
0.714
-50.045
yangxb
0.286
0.001
0.000
0.714
-50.032
yangxb
0.286
0.001
0.000
0.714
-50.021
yangxb
0.286
0.001
0.000
0.714
-50.039
yangxb
0.286
0.001
0.000
0.714
-50.050
yangxb
0.286
0.000
0.000
0.714
-50.029
yangxb
0.286
0.001
0.000
0.714
-50.042
yangxb
0.333
0.001
0.000
0.667
-87.954
yangxb
0.333
0.001
0.000
0.667
-87.947
yangxb
0.333
0.001
0.000
0.667
-87.950
yangxb
0.333
0.001
0.000
0.667
-87.953
yangxb
0.333
0.001
0.000
0.667
-87.948
yangxb
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