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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 876-17 out of 17
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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
10
25
50
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ID
✕
Formula
✕
Username
✕
876
Au
8
Si
4
yangxb
877
Au
8
Si
4
yangxb
878
Au
8
Si
4
yangxb
879
Au
8
Si
4
yangxb
880
Au
8
Si
4
yangxb
881
Au
8
Si
4
yangxb
882
Au
8
Si
4
yangxb
883
Au
8
Si
4
yangxb
884
Au
8
Si
4
yangxb
885
Au
8
Si
4
yangxb
886
Au
8
Si
4
yangxb
887
Au
8
Si
4
yangxb
888
Au
8
Si
4
yangxb
889
Au
8
Si
4
yangxb
890
Au
8
Si
4
yangxb
891
Au
8
Si
4
yangxb
892
Au
8
Si
4
yangxb
893
Au
8
Si
4
yangxb
894
Au
8
Si
4
yangxb
895
Au
8
Si
4
yangxb
896
Au
8
Si
4
yangxb
897
Au
8
Si
4
yangxb
898
Au
8
Si
4
yangxb
899
Au
8
Si
4
yangxb
900
Au
8
Si
4
yangxb
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