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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 801-127 out of 127
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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
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ID
✕
Formula
✕
Username
✕
801
Au
8
Si
4
yangxb
802
Au
8
Si
4
yangxb
803
Au
8
Si
4
yangxb
804
Au
8
Si
4
yangxb
805
Au
10
Si
4
yangxb
806
Au
16
Si
8
yangxb
807
Au
16
Si
8
yangxb
808
Au
16
Si
8
yangxb
809
Au
16
Si
8
yangxb
810
Au
16
Si
8
yangxb
811
Au
16
Si
8
yangxb
812
Au
16
Si
8
yangxb
813
Au
16
Si
8
yangxb
814
Au
16
Si
8
yangxb
815
Au
16
Si
8
yangxb
816
Au
16
Si
8
yangxb
817
Au
16
Si
8
yangxb
818
Au
8
Si
4
yangxb
819
Au
8
Si
4
yangxb
820
Au
8
Si
4
yangxb
821
Au
8
Si
4
yangxb
822
Au
8
Si
4
yangxb
823
Au
8
Si
4
yangxb
824
Au
8
Si
4
yangxb
825
Au
8
Si
4
yangxb
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