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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 1026-517 out of 517
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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)
Magnetic moment (magmom)
Sum of atomic masses in unit cell (mass)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
Maximum stress on unit cell (smax)
Volume of unit cell (volume)
Rows: 25
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ID
✕
Formula
✕
Username
✕
1026
Au
8
Si
4
yangxb
1027
Au
8
Si
4
yangxb
1028
Au
8
Si
4
yangxb
1029
Au
8
Si
4
yangxb
1030
Au
8
Si
4
yangxb
1031
Au
8
Si
4
yangxb
1032
Au
8
Si
4
yangxb
1033
Au
8
Si
4
yangxb
1034
Au
8
Si
4
yangxb
1035
Au
8
Si
4
yangxb
1036
Au
8
Si
4
yangxb
1037
Au
8
Si
4
yangxb
1038
Au
8
Si
4
yangxb
1039
Au
8
Si
4
yangxb
1040
Au
8
Si
4
yangxb
1041
Au
8
Si
4
yangxb
1042
Au
8
Si
4
yangxb
1043
Au
8
Si
4
yangxb
1044
Au
8
Si
4
yangxb
1045
Au
8
Si
4
yangxb
1046
Au
8
Si
4
yangxb
1047
Au
8
Si
4
yangxb
1048
Au
8
Si
4
yangxb
1049
Au
8
Si
4
yangxb
1050
Au
8
Si
4
yangxb
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