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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 2101-414 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)
Periodic boundary conditions (pbc)
Maximum stress on unit cell (smax)
Rows: 25
10
25
50
100
200
Formula
✕
Username
✕
Volume
✕
Number of atoms
✕
Au
14
Si
8
yangxb
2685.242
22
Au
14
Si
8
yangxb
2685.390
22
Au
14
Si
8
yangxb
2686.474
22
Au
14
Si
8
yangxb
2685.726
22
Au
14
Si
8
yangxb
2686.072
22
Au
14
Si
8
yangxb
2686.486
22
Au
14
Si
8
yangxb
2685.772
22
Au
14
Si
8
yangxb
2686.597
22
Au
14
Si
8
yangxb
2686.015
22
Au
14
Si
8
yangxb
2685.736
22
Au
14
Si
8
yangxb
2686.044
22
Au
14
Si
8
yangxb
2686.240
22
Au
14
Si
8
yangxb
2685.961
22
Au
14
Si
8
yangxb
2686.403
22
Au
14
Si
8
yangxb
2685.991
22
Au
14
Si
8
yangxb
2685.705
22
Au
14
Si
8
yangxb
2686.219
22
Au
14
Si
8
yangxb
2685.485
22
Au
14
Si
8
yangxb
2686.087
22
Au
14
Si
8
yangxb
2685.992
22
Au
14
Si
8
yangxb
2685.774
22
Au
14
Si
8
yangxb
2685.041
22
Au
14
Si
8
yangxb
2685.455
22
Au
14
Si
8
yangxb
2685.607
22
Au
14
Si
8
yangxb
2686.065
22
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