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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 951-17 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)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
Maximum stress on unit cell (smax)
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
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200
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ID
✕
Formula
✕
Mass
✕
951
Au
8
Si
4
1688.073
952
Au
8
Si
4
1688.073
953
Au
8
Si
4
1688.073
954
Au
8
Si
4
1688.073
955
Au
8
Si
4
1688.073
956
Au
8
Si
4
1688.073
957
Au
8
Si
4
1688.073
958
Au
8
Si
4
1688.073
959
Au
8
Si
4
1688.073
960
Au
8
Si
4
1688.073
961
Au
8
Si
4
1688.073
962
Au
8
Si
4
1688.073
963
Au
8
Si
4
1688.073
964
Au
8
Si
4
1688.073
965
Au
8
Si
4
1688.073
966
Au
8
Si
4
1688.073
967
Au
8
Si
4
1688.073
968
Au
8
Si
4
1688.073
969
Au
8
Si
4
1688.073
970
Au
8
Si
4
1688.073
971
Au
8
Si
4
1688.073
972
Au
8
Si
4
1688.073
973
Au
8
Si
4
1688.073
974
Au
8
Si
4
1688.073
975
Au
8
Si
4
1688.073
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