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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 2126-8 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)
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
✕
Mass
✕
0.364
0.001
0.000
0.636
-81.786
yangxb
17285.869
0.364
0.001
0.000
0.636
-81.777
yangxb
17285.869
0.286
0.000
0.000
0.714
-50.365
yangxb
17285.869
0.286
0.001
0.000
0.714
-50.370
yangxb
17285.869
0.286
0.001
0.000
0.714
-50.368
yangxb
17285.869
0.286
0.001
0.000
0.714
-50.367
yangxb
17285.869
0.286
0.001
0.000
0.714
-50.372
yangxb
17285.869
0.286
0.001
0.000
0.714
-50.372
yangxb
17285.869
0.286
0.000
0.000
0.714
-50.371
yangxb
17285.869
0.286
0.000
0.000
0.714
-50.368
yangxb
17285.869
0.286
0.001
0.000
0.714
-50.368
yangxb
17285.869
0.286
0.001
0.000
0.714
-50.376
yangxb
17285.869
0.286
0.001
0.000
0.714
-50.371
yangxb
17285.869
0.286
0.000
0.000
0.714
-50.374
yangxb
17285.869
0.286
0.001
0.000
0.714
-50.373
yangxb
17285.869
0.286
0.000
0.000
0.714
-50.373
yangxb
17285.869
0.286
0.001
0.000
0.714
-50.371
yangxb
17285.869
0.286
0.001
0.000
0.714
-50.374
yangxb
17285.869
0.286
0.000
0.000
0.714
-50.376
yangxb
17285.869
0.286
0.001
0.000
0.714
-50.366
yangxb
17285.869
0.286
0.001
0.000
0.714
-50.377
yangxb
17285.869
0.286
0.001
0.000
0.714
-50.377
yangxb
17285.869
0.286
0.001
0.000
0.714
-50.377
yangxb
17285.869
0.286
0.001
0.000
0.714
-50.375
yangxb
17285.869
0.286
0.001
0.000
0.714
-50.370
yangxb
17285.869
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