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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 1051-17 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
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200
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ID
✕
Formula
✕
Mass
✕
1051
Au
8
Si
4
1688.073
1052
Au
8
Si
4
1688.073
1053
Au
8
Si
4
1688.073
1054
Au
8
Si
4
1688.073
1055
Au
8
Si
4
1688.073
1056
Au
8
Si
4
1688.073
1057
Au
8
Si
4
1688.073
1058
Au
8
Si
4
1688.073
1059
Au
8
Si
4
1688.073
1060
Au
8
Si
4
1688.073
1061
Au
8
Si
4
1688.073
1062
Au
8
Si
4
1688.073
1063
Au
8
Si
4
1688.073
1064
Au
8
Si
4
1688.073
1065
Au
8
Si
4
1688.073
1066
Au
8
Si
4
1688.073
1067
Au
8
Si
4
1688.073
1068
Au
8
Si
4
1688.073
1069
Au
8
Si
4
1688.073
1070
Au
8
Si
4
1688.073
1071
Au
8
Si
4
1688.073
1072
Au
8
Si
4
1688.073
1073
Au
8
Si
4
1688.073
1074
Au
8
Si
4
1688.073
1075
Au
8
Si
4
1688.073
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