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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)
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
✕
Energy
✕
Au
14
Si
8
yangxb
2685.242
22
-81.788
Au
14
Si
8
yangxb
2685.390
22
-81.790
Au
14
Si
8
yangxb
2686.474
22
-81.790
Au
14
Si
8
yangxb
2685.726
22
-81.794
Au
14
Si
8
yangxb
2686.072
22
-81.779
Au
14
Si
8
yangxb
2686.486
22
-81.780
Au
14
Si
8
yangxb
2685.772
22
-81.792
Au
14
Si
8
yangxb
2686.597
22
-81.779
Au
14
Si
8
yangxb
2686.015
22
-81.779
Au
14
Si
8
yangxb
2685.736
22
-81.791
Au
14
Si
8
yangxb
2686.044
22
-81.785
Au
14
Si
8
yangxb
2686.240
22
-81.780
Au
14
Si
8
yangxb
2685.961
22
-81.776
Au
14
Si
8
yangxb
2686.403
22
-81.779
Au
14
Si
8
yangxb
2685.991
22
-81.791
Au
14
Si
8
yangxb
2685.705
22
-81.789
Au
14
Si
8
yangxb
2686.219
22
-81.778
Au
14
Si
8
yangxb
2685.485
22
-81.788
Au
14
Si
8
yangxb
2686.087
22
-81.776
Au
14
Si
8
yangxb
2685.992
22
-81.791
Au
14
Si
8
yangxb
2685.774
22
-81.792
Au
14
Si
8
yangxb
2685.041
22
-81.789
Au
14
Si
8
yangxb
2685.455
22
-81.793
Au
14
Si
8
yangxb
2685.607
22
-81.790
Au
14
Si
8
yangxb
2686.065
22
-81.779
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